cm165_2a.cif
chuck39_2b.cif
chuck26_3.cif
chuck31_4.cif
./tmp-cif_split_003/chuck26_3.cif: data_global
./tmp-cif_split_003/chuck26_3.cif: _publ_contact_author_name        Neil Burford
./tmp-cif_split_003/chuck26_3.cif: _publ_contact_author_address
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Department of Chemistry
./tmp-cif_split_003/chuck26_3.cif: Dalhousie University
./tmp-cif_split_003/chuck26_3.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck26_3.cif: CANADA
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _publ_contact_author_email       burford@chem1.chem.dal.ca
./tmp-cif_split_003/chuck26_3.cif: _publ_contact_author_fax         (902) 494-1310
./tmp-cif_split_003/chuck26_3.cif: _publ_contact_author_phone       (902) 494-3190
./tmp-cif_split_003/chuck26_3.cif: _publ_requested_journal          Organometallics
./tmp-cif_split_003/chuck26_3.cif: _publ_section_title
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Synthesis and characterization of the
./tmp-cif_split_003/chuck26_3.cif: bis(2,4,6-tris[trifluoromethyl]phenyl)derivatives of arsenic and
./tmp-cif_split_003/chuck26_3.cif: antimony: X-ray crystal structures of As(R~F~)~2~Cl, Sb(R~F~)~2~Cl and
./tmp-cif_split_003/chuck26_3.cif: Sb(R~F~)~2~OSO~2~CF~3~
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _publ_section_title_footnote     ?
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _publ_author_name
./tmp-cif_split_003/chuck26_3.cif: _publ_author_footnote
./tmp-cif_split_003/chuck26_3.cif: _publ_author_address
./tmp-cif_split_003/chuck26_3.cif: Neil Burford
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ?
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Department of Chemistry
./tmp-cif_split_003/chuck26_3.cif: Dalhousie University
./tmp-cif_split_003/chuck26_3.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck26_3.cif: CANADA
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Charles L.B. Macdonald
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ?
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Department of Chemistry
./tmp-cif_split_003/chuck26_3.cif: Dalhousie University
./tmp-cif_split_003/chuck26_3.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck26_3.cif: CANADA
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Daren J. LeBlanc
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ?
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Department of Chemistry
./tmp-cif_split_003/chuck26_3.cif: Dalhousie University
./tmp-cif_split_003/chuck26_3.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck26_3.cif: CANADA
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: T. Stanley Cameron
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ?
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Department of Chemistry
./tmp-cif_split_003/chuck26_3.cif: Dalhousie University
./tmp-cif_split_003/chuck26_3.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck26_3.cif: CANADA
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _publ_section_references
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). SIR92.
./tmp-cif_split_003/chuck26_3.cif: J. Appl. Cryst., 26, 343.
./tmp-cif_split_003/chuck26_3.cif: Beurskens, P.T., Admiraal, G., Beurskens, G., Bosman, W.P., de Gelder, R.,
./tmp-cif_split_003/chuck26_3.cif: Israel, R. and Smits, J.M.M. (1994). DIRDIF94. The DIRDIF-94 program system,
./tmp-cif_split_003/chuck26_3.cif: Technical Report of the Crystallography Laboratory, University of Nijmegen,
./tmp-cif_split_003/chuck26_3.cif: The Netherlands.
./tmp-cif_split_003/chuck26_3.cif: Nonius, B.V. (1997). Delft, Holland.
./tmp-cif_split_003/chuck26_3.cif: Sheldrick, G.M. (1994). SHELXTL. Release 5.03. Siemens Analytical X-ray
./tmp-cif_split_003/chuck26_3.cif: Instruments Inc., Madison, Wisconsin, USA.
./tmp-cif_split_003/chuck26_3.cif: Sheldrick, G.M. (1997). SHELX-97. Programs for the Solution and Refinement
./tmp-cif_split_003/chuck26_3.cif: of Crystal Structures. University of G"ottingen, Germany.
./tmp-cif_split_003/chuck26_3.cif: teXsan for Windows. (1997). Crystal Structure Analysis Package, Molecular
./tmp-cif_split_003/chuck26_3.cif: Structure Corporation.
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _publ_section_exptl_refinement
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: For 2a, all non-hydrogen atoms were refined anisotropically.  The four H 
./tmp-cif_split_003/chuck26_3.cif: atoms were found and refined with a common isotropic displacement parameter 
./tmp-cif_split_003/chuck26_3.cif: (FVAR 2).  The H atoms were constrained to ride on their attached carbon 
./tmp-cif_split_003/chuck26_3.cif: atoms but the coordinates were allowed to vary (AFIX 44) and the C-H bond 
./tmp-cif_split_003/chuck26_3.cif: distances were restrained to be equal (SADI, su = 0.02).  The C18 and C28 
./tmp-cif_split_003/chuck26_3.cif: CF~3~ groups were modelled as a two-positioned disorder with their C-F 
./tmp-cif_split_003/chuck26_3.cif: distances restrained to be equal (SADI, su = 0.02).  Absorption was 
./tmp-cif_split_003/chuck26_3.cif: corrected for based upon the redundancy of the data (DENZO-SMN, Nonius,
./tmp-cif_split_003/chuck26_3.cif: 1997).  Decay was negligible.
./tmp-cif_split_003/chuck26_3.cif: For 2b, 3 and 4, some non-hydrogen atoms were refined anisotropically while 
./tmp-cif_split_003/chuck26_3.cif: the rest were refined isotropically.  Hydrogen atoms were included but not 
./tmp-cif_split_003/chuck26_3.cif: refined.  The disordered CF~3~ groups were refined as rigid bodies riding on 
./tmp-cif_split_003/chuck26_3.cif: the attached carbon atom; the fluorine anisotropic displacement parameters 
./tmp-cif_split_003/chuck26_3.cif: were constrained to give a physically meaningful vibration along the C-F 
./tmp-cif_split_003/chuck26_3.cif: bonds.
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: data_chuck26_3
./tmp-cif_split_003/chuck26_3.cif: _audit_creation_method           manual editing
./tmp-cif_split_003/chuck26_3.cif: _chemical_name_systematic        ?
./tmp-cif_split_003/chuck26_3.cif: _chemical_name_common            ?
./tmp-cif_split_003/chuck26_3.cif: _chemical_melting_point          112-113
./tmp-cif_split_003/chuck26_3.cif: _chemical_formula_moiety         ?
./tmp-cif_split_003/chuck26_3.cif: _chemical_formula_sum            C18 H4 Cl F18 Sb
./tmp-cif_split_003/chuck26_3.cif: _chemical_formula_weight         719.41
./tmp-cif_split_003/chuck26_3.cif: _symmetry_cell_setting           monoclinic
./tmp-cif_split_003/chuck26_3.cif: _symmetry_space_group_name_H-M   P 21/c
./tmp-cif_split_003/chuck26_3.cif: _cell_length_a                   8.296(2)
./tmp-cif_split_003/chuck26_3.cif: _cell_length_b                   30.430(7)
./tmp-cif_split_003/chuck26_3.cif: _cell_length_c                   8.779(3)
./tmp-cif_split_003/chuck26_3.cif: _cell_angle_alpha                90.00
./tmp-cif_split_003/chuck26_3.cif: _cell_angle_beta                 94.030(3)
./tmp-cif_split_003/chuck26_3.cif: _cell_angle_gamma                90.00
./tmp-cif_split_003/chuck26_3.cif: _cell_volume                     2211(1)
./tmp-cif_split_003/chuck26_3.cif: _cell_formula_units_Z            4
./tmp-cif_split_003/chuck26_3.cif: _cell_measurement_temperature    296(1)
./tmp-cif_split_003/chuck26_3.cif: _cell_measurement_reflns_used    25
./tmp-cif_split_003/chuck26_3.cif: _cell_measurement_theta_min      23.2
./tmp-cif_split_003/chuck26_3.cif: _cell_measurement_theta_max      27.8
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_description       needle
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_colour            light yellow
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_size_max          0.30
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_size_mid          0.13
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_size_min          0.11
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_density_meas      ?
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_density_diffrn    2.161
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_density_method    not measured
./tmp-cif_split_003/chuck26_3.cif: _exptl_crystal_F_000             1368
./tmp-cif_split_003/chuck26_3.cif: _exptl_absorpt_coefficient_mu    12.518
./tmp-cif_split_003/chuck26_3.cif: _exptl_absorpt_correction_type   psi-scan
./tmp-cif_split_003/chuck26_3.cif: _exptl_absorpt_correction_T_min  0.640
./tmp-cif_split_003/chuck26_3.cif: _exptl_absorpt_correction_T_max  1.000
./tmp-cif_split_003/chuck26_3.cif: _exptl_absorpt_process_details   ?
./tmp-cif_split_003/chuck26_3.cif: _exptl_special_details
./tmp-cif_split_003/chuck26_3.cif: ; 
./tmp-cif_split_003/chuck26_3.cif: ? 
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _diffrn_ambient_temperature      296(1)
./tmp-cif_split_003/chuck26_3.cif: _diffrn_radiation_wavelength     1.54178
./tmp-cif_split_003/chuck26_3.cif: _diffrn_radiation_type           CuKa
./tmp-cif_split_003/chuck26_3.cif: _diffrn_radiation_source         rotating anode (50 kV, 160 mA)
./tmp-cif_split_003/chuck26_3.cif: _diffrn_radiation_monochromator  graphite
./tmp-cif_split_003/chuck26_3.cif: _diffrn_measurement_device_type  Rigaku AFC5R
./tmp-cif_split_003/chuck26_3.cif: _diffrn_measurement_method       \w-2\q scans
./tmp-cif_split_003/chuck26_3.cif: _diffrn_standards_number         ?
./tmp-cif_split_003/chuck26_3.cif: _diffrn_standards_interval_count ?
./tmp-cif_split_003/chuck26_3.cif: _diffrn_standards_interval_time  ?
./tmp-cif_split_003/chuck26_3.cif: _diffrn_standards_decay_%        3.6
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_number            3953
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_av_R_equivalents  0.0740
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_av_sigmaI/netI    ?
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_limit_h_min       0
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_limit_h_max       9
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_limit_k_min       0
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_limit_k_max       32
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_limit_l_min       -10
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_limit_l_max       10
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_theta_min         2.90
./tmp-cif_split_003/chuck26_3.cif: _diffrn_reflns_theta_max         63.45
./tmp-cif_split_003/chuck26_3.cif: _reflns_number_total             3874
./tmp-cif_split_003/chuck26_3.cif: _reflns_number_gt                1022
./tmp-cif_split_003/chuck26_3.cif: _reflns_threshold_expression     I>3sigma(I)
./tmp-cif_split_003/chuck26_3.cif: _computing_data_collection       Rigaku AFC5R
./tmp-cif_split_003/chuck26_3.cif: _computing_cell_refinement       Rigaku AFC5R
./tmp-cif_split_003/chuck26_3.cif: _computing_data_reduction        Rigaku AFC5R
./tmp-cif_split_003/chuck26_3.cif: _computing_structure_solution    DIRDIF94
./tmp-cif_split_003/chuck26_3.cif: _computing_structure_refinement  SHELXL-97 (Sheldrick, 1997)
./tmp-cif_split_003/chuck26_3.cif: _computing_molecular_graphics    SHELXTL (Sheldrick, 1994) and teXsan
./tmp-cif_split_003/chuck26_3.cif: _computing_publication_material  ?
./tmp-cif_split_003/chuck26_3.cif: _refine_special_details
./tmp-cif_split_003/chuck26_3.cif: ; 
./tmp-cif_split_003/chuck26_3.cif: ?
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_structure_factor_coef Fsqd
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_matrix_type           full
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_weighting_scheme      calc
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_weighting_details
./tmp-cif_split_003/chuck26_3.cif: calc w=1/[\s^2^(Fo^2^)+(0.0887P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3
./tmp-cif_split_003/chuck26_3.cif: _atom_sites_solution_primary     direct
./tmp-cif_split_003/chuck26_3.cif: _atom_sites_solution_secondary   difmap
./tmp-cif_split_003/chuck26_3.cif: _atom_sites_solution_hydrogens   geom
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_hydrogen_treatment    noref
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_extinction_method     secondary
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_extinction_coef       1.04800e-008
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_number_reflns         1022
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_number_parameters     238
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_number_restraints     ?
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_R_factor_all          ?
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_R_factor_gt           0.0550
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_wR_factor_ref         0.220
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_wR_factor_gt          ?
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_goodness_of_fit_ref   1.00
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_restrained_S_all      ?
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_shift/su_max          .01
./tmp-cif_split_003/chuck26_3.cif: _refine_ls_shift/su_mean         ?
./tmp-cif_split_003/chuck26_3.cif: _geom_special_details
./tmp-cif_split_003/chuck26_3.cif: ; 
./tmp-cif_split_003/chuck26_3.cif: ?
./tmp-cif_split_003/chuck26_3.cif: ;
./tmp-cif_split_003/chuck26_3.cif: _refine_diff_density_max         0.630
./tmp-cif_split_003/chuck26_3.cif: _refine_diff_density_min         -0.950
./tmp-cif_split_003/chuck26_3.cif: _refine_diff_density_rms         ?
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _atom_type_symbol
./tmp-cif_split_003/chuck26_3.cif: _atom_type_description
./tmp-cif_split_003/chuck26_3.cif: _atom_type_scat_dispersion_real
./tmp-cif_split_003/chuck26_3.cif: _atom_type_scat_dispersion_imag
./tmp-cif_split_003/chuck26_3.cif: _atom_type_scat_source
./tmp-cif_split_003/chuck26_3.cif: C C 0.0181 0.0091 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck26_3.cif: H H 0.0000 0.0000 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck26_3.cif: F F 0.0727 0.0534 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck26_3.cif: Cl Cl 0.3639 0.7018 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck26_3.cif: Sb Sb -0.0562 5.8946 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _symmetry_equiv_pos_as_xyz
./tmp-cif_split_003/chuck26_3.cif: x, y, z
./tmp-cif_split_003/chuck26_3.cif: -x, y+1/2, -z+1/2
./tmp-cif_split_003/chuck26_3.cif: -x, -y, -z
./tmp-cif_split_003/chuck26_3.cif: x, -y-1/2, z-1/2
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _atom_site_label
./tmp-cif_split_003/chuck26_3.cif: _atom_site_type_symbol
./tmp-cif_split_003/chuck26_3.cif: _atom_site_fract_x
./tmp-cif_split_003/chuck26_3.cif: _atom_site_fract_y
./tmp-cif_split_003/chuck26_3.cif: _atom_site_fract_z
./tmp-cif_split_003/chuck26_3.cif: _atom_site_U_iso_or_equiv
./tmp-cif_split_003/chuck26_3.cif: _atom_site_adp_type
./tmp-cif_split_003/chuck26_3.cif: _atom_site_occupancy
./tmp-cif_split_003/chuck26_3.cif: _atom_site_symmetry_multiplicity
./tmp-cif_split_003/chuck26_3.cif: _atom_site_calc_flag
./tmp-cif_split_003/chuck26_3.cif: _atom_site_refinement_flags
./tmp-cif_split_003/chuck26_3.cif: _atom_site_disorder_assembly
./tmp-cif_split_003/chuck26_3.cif: _atom_site_disorder_group
./tmp-cif_split_003/chuck26_3.cif: Sb1 Sb 1.2808(3) 0.1222(1) 0.0566(3) 0.064(1) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: Cl1 Cl 1.0832(15) 0.1007(4) 0.2220(14) 0.101(4) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F1 F 1.3608(19) 0.0371(5) 0.1880(2) 0.069(6) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F2 F 1.1290(14) 0.0035(6) 0.1530(2) 0.074(7) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F3 F 1.3520(2) -0.0296(5) 0.1110(2) 0.080(7) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F4 F 1.1010(2) -0.0448(10) -0.5110(3) 0.108(12) Uani 0.50 1 d P A 1
./tmp-cif_split_003/chuck26_3.cif: F5 F 1.2930(4) -0.0775(8) -0.3770(3) 0.119(12) Uani 0.50 1 d P A 1
./tmp-cif_split_003/chuck26_3.cif: F6 F 1.3490(3) -0.0380(8) -0.5540(3) 0.093(10) Uani 0.50 1 d P A 1
./tmp-cif_split_003/chuck26_3.cif: F4A F 1.4000(2) -0.0497(10) -0.4750(3) 0.100(7) Uani 0.50 1 d P A 2
./tmp-cif_split_003/chuck26_3.cif: F5A F 1.1690(3) -0.0251(8) -0.5740(3) 0.100(6) Uani 0.50 1 d P A 2
./tmp-cif_split_003/chuck26_3.cif: F6A F 1.1720(3) -0.0741(8) -0.3940(3) 0.100(5) Uani 0.50 1 d P A 2
./tmp-cif_split_003/chuck26_3.cif: F7 F 1.3810(2) 0.1472(7) -0.2314(18) 0.083(7) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F8 F 1.1551(17) 0.1403(8) -0.3720(2) 0.106(9) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F9 F 1.3810(2) 0.1212(8) -0.4594(19) 0.103(8) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F10 F 1.3470(3) 0.2132(7) 0.2090(2) 0.102(9) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F11 F 1.4490(2) 0.2092(6) -0.0080(2) 0.087(8) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F12 F 1.3620(3) 0.2713(5) 0.0690(3) 0.115(5) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F13 F 0.7080(6) 0.2957(14) -0.0260(4) 0.101(17) Uani 0.50 1 d P B 3
./tmp-cif_split_003/chuck26_3.cif: F14 F 0.7020(5) 0.2771(12) -0.2640(5) 0.103(17) Uani 0.50 1 d P B 3
./tmp-cif_split_003/chuck26_3.cif: F15 F 0.8880(3) 0.3226(10) -0.1740(7) 0.150(3) Uani 0.50 1 d P B 3
./tmp-cif_split_003/chuck26_3.cif: F13A F 0.8550(6) 0.3226(12) -0.0490(6) 0.130(3) Uani 0.50 1 d P B 4
./tmp-cif_split_003/chuck26_3.cif: F14A F 0.6500(4) 0.2806(11) -0.1150(6) 0.109(1) Uani 0.50 1 d P B 4
./tmp-cif_split_003/chuck26_3.cif: F15A F 0.8180(6) 0.3008(14) -0.2830(4) 0.086(1) Uani 0.50 1 d P B 4
./tmp-cif_split_003/chuck26_3.cif: F16 F 0.9563(19) 0.0914(7) -0.1180(2) 0.088(13) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F17 F 0.7850(3) 0.1260(8) -0.2680(2) 0.098(9) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: F18 F 0.7450(2) 0.1211(7) -0.0300(2) 0.127(10) Uani 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C1 C 1.2690(4) 0.0673(10) -0.1100(3) 0.038(8) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C2 C 1.2630(4) 0.0238(11) -0.0710(4) 0.048(9) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C3 C 1.2540(4) -0.0099(11) -0.1740(4) 0.051(10) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C4 C 1.2550(4) -0.0026(13) -0.3270(4) 0.056(10) Uiso 1 1 d . A .
./tmp-cif_split_003/chuck26_3.cif: C5 C 1.2710(4) 0.0429(13) -0.3720(4) 0.059(10) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C6 C 1.2820(4) 0.0757(11) -0.2670(4) 0.048(9) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C7 C 1.2751(16) 0.0087(5) 0.0973(12) 0.063(11) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C8 C 1.2490(2) -0.0390(6) -0.4430(2) 0.073(13) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C9 C 1.2974(18) 0.1225(4) -0.3332(16) 0.075(11) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C10 C 1.1090(4) 0.1742(12) -0.0370(4) 0.055(10) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C11 C 0.9480(4) 0.1699(12) -0.1000(4) 0.055(10) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C12 C 0.8580(4) 0.2071(13) -0.1330(4) 0.059(10) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C13 C 0.9110(4) 0.2488(13) -0.1060(4) 0.056(11) Uiso 1 1 d . B .
./tmp-cif_split_003/chuck26_3.cif: C14 C 1.0710(5) 0.2536(13) -0.0460(4) 0.062(11) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C15 C 1.1620(4) 0.2175(12) -0.0090(4) 0.053(10) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C16 C 1.3293(14) 0.2281(6) 0.0667(19) 0.066(12) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C17 C 0.8030(3) 0.2881(7) -0.1400(3) 0.076(13) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: C18 C 0.8604(18) 0.1256(5) -0.1280(2) 0.088(13) Uiso 1 1 d . . .
./tmp-cif_split_003/chuck26_3.cif: H1 H 1.2455 -0.0395 -0.1403 0.059 Uiso 1 1 c R . .
./tmp-cif_split_003/chuck26_3.cif: H2 H 1.2763 0.0488 -0.4738 0.074 Uiso 1 1 c R . .
./tmp-cif_split_003/chuck26_3.cif: H3 H 0.7545 0.2032 -0.1826 0.065 Uiso 1 1 c R . .
./tmp-cif_split_003/chuck26_3.cif: H4 H 1.1167 0.2812 -0.0299 0.075 Uiso 1 1 c R . .
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_label
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_U_11
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_U_22
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_U_33
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_U_23
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_U_13
./tmp-cif_split_003/chuck26_3.cif: _atom_site_aniso_U_12
./tmp-cif_split_003/chuck26_3.cif: Sb1 0.056(1) 0.072(2) 0.065(2) -0.006(2) 0.004(1) 0.004(2)
./tmp-cif_split_003/chuck26_3.cif: Cl1 0.103(9) 0.114(10) 0.092(9) 0.006(7) 0.051(7) 0.028(8)
./tmp-cif_split_003/chuck26_3.cif: F1 0.060(13) 0.094(18) 0.053(13) 0.006(13) -0.001(10) -0.013(13)
./tmp-cif_split_003/chuck26_3.cif: F2 0.062(13) 0.108(18) 0.055(14) 0.009(14) 0.025(11) -0.007(14)
./tmp-cif_split_003/chuck26_3.cif: F3 0.086(16) 0.076(17) 0.077(16) 0.008(14) 0.006(13) 0.011(14)
./tmp-cif_split_003/chuck26_3.cif: F4 0.070(2) 0.130(3) 0.130(3) -0.050(2) 0.009(19) -0.020(2)
./tmp-cif_split_003/chuck26_3.cif: F5 0.180(4) 0.090(3) 0.090(2) -0.008(18) 0.010(2) 0.010(2)
./tmp-cif_split_003/chuck26_3.cif: F6 0.120(3) 0.100(2) 0.061(19) -0.010(18) 0.047(19) -0.010(2)
./tmp-cif_split_003/chuck26_3.cif: F4A 0.070(9) 0.120(11) 0.110(11) 0.000(9) 0.000(8) 0.000(8)
./tmp-cif_split_003/chuck26_3.cif: F5A 0.100(9) 0.110(10) 0.080(9) -0.070(8) -0.050(8) -0.020(8)
./tmp-cif_split_003/chuck26_3.cif: F6A 0.100(5) 0.100(5) 0.100(5) 0.000(2) 0.007(4) 0.000(2)
./tmp-cif_split_003/chuck26_3.cif: F7 0.099(18) 0.068(15) 0.084(17) 0.014(13) 0.012(14) -0.027(14)
./tmp-cif_split_003/chuck26_3.cif: F8 0.110(2) 0.120(2) 0.085(18) 0.030(16) 0.000(15) 0.034(17)
./tmp-cif_split_003/chuck26_3.cif: F9 0.130(2) 0.120(2) 0.068(16) 0.011(17) 0.048(14) -0.006(19)
./tmp-cif_split_003/chuck26_3.cif: F10 0.065(15) 0.160(3) 0.082(17) -0.011(18) -0.007(14) -0.008(16)
./tmp-cif_split_003/chuck26_3.cif: F11 0.042(12) 0.100(2) 0.114(19) -0.016(16) 0.001(13) -0.009(12)
./tmp-cif_split_003/chuck26_3.cif: F12 0.074(15) 0.088 0.178 -0.036 -0.022 -0.005
./tmp-cif_split_003/chuck26_3.cif: F13 0.120(4) 0.080(3) 0.110(4) -0.030(3) 0.040(3) 0.020(3)
./tmp-cif_split_003/chuck26_3.cif: F14 0.080(3) 0.110(4) 0.120(4) 0.000(3) -0.020(3) 0.040(3)
./tmp-cif_split_003/chuck26_3.cif: F15 0.140(5) 0.100(4) 0.230(7) 0.050(5) 0.000(5) 0.000(4)
./tmp-cif_split_003/chuck26_3.cif: F13A 0.130(6) 0.140(6) 0.120(5) -0.020(4) -0.010(4) 0.040(5)
./tmp-cif_split_003/chuck26_3.cif: F14A 0.112(3) 0.069 0.155 -0.033 0.062 -0.005
./tmp-cif_split_003/chuck26_3.cif: F15A 0.097(3) 0.067 0.102 0.044 0.066 0.026
./tmp-cif_split_003/chuck26_3.cif: F16 0.058(14) 0.075(17) 0.160(3) -0.023(17) -0.003(15) 0.000(13)
./tmp-cif_split_003/chuck26_3.cif: F17 0.120(2) 0.130(2) 0.130(2) -0.020(2) -0.036(18) -0.010(2)
./tmp-cif_split_003/chuck26_3.cif: F18 0.080(17) 0.076(16) 0.170(3) -0.030(2) 0.043(16) -0.034(16)
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _geom_bond_atom_site_label_1
./tmp-cif_split_003/chuck26_3.cif: _geom_bond_atom_site_label_2
./tmp-cif_split_003/chuck26_3.cif: _geom_bond_distance
./tmp-cif_split_003/chuck26_3.cif: _geom_bond_site_symmetry_2
./tmp-cif_split_003/chuck26_3.cif: _geom_bond_publ_flag
./tmp-cif_split_003/chuck26_3.cif: Sb1 C1 2.22(3) . ?
./tmp-cif_split_003/chuck26_3.cif: Sb1 C10 2.25(3) . ?
./tmp-cif_split_003/chuck26_3.cif: Sb1 Cl1 2.358(11) . ?
./tmp-cif_split_003/chuck26_3.cif: F1 C7 1.3467 . ?
./tmp-cif_split_003/chuck26_3.cif: F2 C7 1.3489 . ?
./tmp-cif_split_003/chuck26_3.cif: F3 C7 1.3281 . ?
./tmp-cif_split_003/chuck26_3.cif: F4 C8 1.3398 . ?
./tmp-cif_split_003/chuck26_3.cif: F5 C8 1.3442 . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 1.3502 . ?
./tmp-cif_split_003/chuck26_3.cif: F4A C8 1.3419 . ?
./tmp-cif_split_003/chuck26_3.cif: F5A C8 1.3590 . ?
./tmp-cif_split_003/chuck26_3.cif: F6A C8 1.3344 . ?
./tmp-cif_split_003/chuck26_3.cif: F7 C9 1.3249 . ?
./tmp-cif_split_003/chuck26_3.cif: F8 C9 1.3211 . ?
./tmp-cif_split_003/chuck26_3.cif: F9 C9 1.3496 . ?
./tmp-cif_split_003/chuck26_3.cif: F10 C16 1.3315 . ?
./tmp-cif_split_003/chuck26_3.cif: F11 C16 1.3584 . ?
./tmp-cif_split_003/chuck26_3.cif: F12 C16 1.3417 . ?
./tmp-cif_split_003/chuck26_3.cif: F13 C17 1.3362 . ?
./tmp-cif_split_003/chuck26_3.cif: F14 C17 1.3635 . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 1.3081 . ?
./tmp-cif_split_003/chuck26_3.cif: F13A C17 1.3733 . ?
./tmp-cif_split_003/chuck26_3.cif: F14A C17 1.3189 . ?
./tmp-cif_split_003/chuck26_3.cif: F15A C17 1.3283 . ?
./tmp-cif_split_003/chuck26_3.cif: F16 C18 1.3092 . ?
./tmp-cif_split_003/chuck26_3.cif: F17 C18 1.3409 . ?
./tmp-cif_split_003/chuck26_3.cif: F18 C18 1.3394 . ?
./tmp-cif_split_003/chuck26_3.cif: C1 C2 1.37(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C1 C6 1.41(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C2 C3 1.36(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C2 C7 1.55(3) . ?
./tmp-cif_split_003/chuck26_3.cif: C3 C4 1.37(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C4 C5 1.45(5) . ?
./tmp-cif_split_003/chuck26_3.cif: C4 C8 1.50(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C5 C6 1.36(5) . ?
./tmp-cif_split_003/chuck26_3.cif: C6 C9 1.55(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C10 C15 1.41(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C10 C11 1.41(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C11 C12 1.38(5) . ?
./tmp-cif_split_003/chuck26_3.cif: C11 C18 1.54(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C12 C13 1.36(5) . ?
./tmp-cif_split_003/chuck26_3.cif: C13 C14 1.40(5) . ?
./tmp-cif_split_003/chuck26_3.cif: C13 C17 1.51(4) . ?
./tmp-cif_split_003/chuck26_3.cif: C14 C15 1.36(5) . ?
./tmp-cif_split_003/chuck26_3.cif: C15 C16 1.53(4) . ?
./tmp-cif_split_003/chuck26_3.cif: loop_
./tmp-cif_split_003/chuck26_3.cif: _geom_angle_atom_site_label_1
./tmp-cif_split_003/chuck26_3.cif: _geom_angle_atom_site_label_2
./tmp-cif_split_003/chuck26_3.cif: _geom_angle_atom_site_label_3
./tmp-cif_split_003/chuck26_3.cif: _geom_angle
./tmp-cif_split_003/chuck26_3.cif: _geom_angle_site_symmetry_1
./tmp-cif_split_003/chuck26_3.cif: _geom_angle_site_symmetry_3
./tmp-cif_split_003/chuck26_3.cif: _geom_angle_publ_flag
./tmp-cif_split_003/chuck26_3.cif: C1 Sb1 C10 107.0(12) . . ?
./tmp-cif_split_003/chuck26_3.cif: C1 Sb1 Cl1 101.3(9) . . ?
./tmp-cif_split_003/chuck26_3.cif: C10 Sb1 Cl1 88.4(9) . . ?
./tmp-cif_split_003/chuck26_3.cif: C2 C1 C6 115(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C2 C1 Sb1 125(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: C6 C1 Sb1 120(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: C3 C2 C1 125(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C3 C2 C7 114(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C1 C2 C7 122(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C4 C3 C2 122(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C3 C4 C5 116(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C3 C4 C8 123(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C5 C4 C8 121(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C6 C5 C4 121(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C5 C6 C1 122(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C5 C6 C9 115(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C1 C6 C9 123(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: F3 C7 F1 106.3 . . ?
./tmp-cif_split_003/chuck26_3.cif: F3 C7 F2 107.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F1 C7 F2 108.0 . . ?
./tmp-cif_split_003/chuck26_3.cif: F3 C7 C2 110(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F1 C7 C2 112(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F2 C7 C2 113(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 F6A 135.8 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 F4 107.1 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6A C8 F4 65.9 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 F4A 42.4 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6A C8 F4A 110.6 . . ?
./tmp-cif_split_003/chuck26_3.cif: F4 C8 F4A 135.6 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 F5 107.9 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6A C8 F5 44.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F4 C8 F5 106.9 . . ?
./tmp-cif_split_003/chuck26_3.cif: F4A C8 F5 69.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 F5A 67.3 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6A C8 F5A 107.9 . . ?
./tmp-cif_split_003/chuck26_3.cif: F4 C8 F5A 44.4 . . ?
./tmp-cif_split_003/chuck26_3.cif: F4A C8 F5A 107.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F5 C8 F5A 137.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F6 C8 C4 111(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F6A C8 C4 111(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F4 C8 C4 112(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F4A C8 C4 110(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F5 C8 C4 111(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F5A C8 C4 110(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F8 C9 F7 110.7 . . ?
./tmp-cif_split_003/chuck26_3.cif: F8 C9 F9 107.7 . . ?
./tmp-cif_split_003/chuck26_3.cif: F7 C9 F9 107.3 . . ?
./tmp-cif_split_003/chuck26_3.cif: F8 C9 C6 112(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F7 C9 C6 109(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F9 C9 C6 110(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: C15 C10 C11 116(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C15 C10 Sb1 114(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: C11 C10 Sb1 129(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C12 C11 C10 119(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C12 C11 C18 116(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C10 C11 C18 124(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C13 C12 C11 125(4) . . ?
./tmp-cif_split_003/chuck26_3.cif: C12 C13 C14 117(4) . . ?
./tmp-cif_split_003/chuck26_3.cif: C12 C13 C17 122(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C14 C13 C17 121(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C15 C14 C13 120(4) . . ?
./tmp-cif_split_003/chuck26_3.cif: C14 C15 C10 123(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C14 C15 C16 114(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: C10 C15 C16 122(3) . . ?
./tmp-cif_split_003/chuck26_3.cif: F10 C16 F12 108.0 . . ?
./tmp-cif_split_003/chuck26_3.cif: F10 C16 F11 106.1 . . ?
./tmp-cif_split_003/chuck26_3.cif: F12 C16 F11 105.6 . . ?
./tmp-cif_split_003/chuck26_3.cif: F10 C16 C15 112(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F12 C16 C15 113(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F11 C16 C15 112(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 F14A 135.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 F15A 57.7 . . ?
./tmp-cif_split_003/chuck26_3.cif: F14A C17 F15A 111.2 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 F13 112.6 . . ?
./tmp-cif_split_003/chuck26_3.cif: F14A C17 F13 44.2 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15A C17 F13 139.2 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 F14 109.0 . . ?
./tmp-cif_split_003/chuck26_3.cif: F14A C17 F14 63.2 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15A C17 F14 53.9 . . ?
./tmp-cif_split_003/chuck26_3.cif: F13 C17 F14 106.2 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 F13A 50.6 . . ?
./tmp-cif_split_003/chuck26_3.cif: F14A C17 F13A 107.6 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15A C17 F13A 106.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F13 C17 F13A 67.0 . . ?
./tmp-cif_split_003/chuck26_3.cif: F14 C17 F13A 143.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F15 C17 C13 111(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F14A C17 C13 113(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F15A C17 C13 109(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F13 C17 C13 111(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F14 C17 C13 106(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F13A C17 C13 109(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F16 C18 F18 109.7 . . ?
./tmp-cif_split_003/chuck26_3.cif: F16 C18 F17 107.9 . . ?
./tmp-cif_split_003/chuck26_3.cif: F18 C18 F17 106.5 . . ?
./tmp-cif_split_003/chuck26_3.cif: F16 C18 C11 114(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F18 C18 C11 110(2) . . ?
./tmp-cif_split_003/chuck26_3.cif: F17 C18 C11 109(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: data_global
./tmp-cif_split_003/chuck31_4.cif: _publ_contact_author_name        Neil Burford
./tmp-cif_split_003/chuck31_4.cif: _publ_contact_author_address
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Department of Chemistry
./tmp-cif_split_003/chuck31_4.cif: Dalhousie University
./tmp-cif_split_003/chuck31_4.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck31_4.cif: CANADA
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _publ_contact_author_email       burford@chem1.chem.dal.ca
./tmp-cif_split_003/chuck31_4.cif: _publ_contact_author_fax         (902) 494-1310
./tmp-cif_split_003/chuck31_4.cif: _publ_contact_author_phone       (902) 494-3190
./tmp-cif_split_003/chuck31_4.cif: _publ_requested_journal          Organometallics
./tmp-cif_split_003/chuck31_4.cif: _publ_section_title
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Synthesis and characterization of the
./tmp-cif_split_003/chuck31_4.cif: bis(2,4,6-tris[trifluoromethyl]phenyl)derivatives of arsenic and
./tmp-cif_split_003/chuck31_4.cif: antimony: X-ray crystal structures of As(R~F~)~2~Cl, Sb(R~F~)~2~Cl and
./tmp-cif_split_003/chuck31_4.cif: Sb(R~F~)~2~OSO~2~CF~3~
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _publ_section_title_footnote     ?
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _publ_author_name
./tmp-cif_split_003/chuck31_4.cif: _publ_author_footnote
./tmp-cif_split_003/chuck31_4.cif: _publ_author_address
./tmp-cif_split_003/chuck31_4.cif: Neil Burford
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ?
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Department of Chemistry
./tmp-cif_split_003/chuck31_4.cif: Dalhousie University
./tmp-cif_split_003/chuck31_4.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck31_4.cif: CANADA
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Charles L.B. Macdonald
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ?
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Department of Chemistry
./tmp-cif_split_003/chuck31_4.cif: Dalhousie University
./tmp-cif_split_003/chuck31_4.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck31_4.cif: CANADA
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Daren J. LeBlanc
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ?
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Department of Chemistry
./tmp-cif_split_003/chuck31_4.cif: Dalhousie University
./tmp-cif_split_003/chuck31_4.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck31_4.cif: CANADA
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: T. Stanley Cameron
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ?
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Department of Chemistry
./tmp-cif_split_003/chuck31_4.cif: Dalhousie University
./tmp-cif_split_003/chuck31_4.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck31_4.cif: CANADA
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _publ_section_references
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). SIR92.
./tmp-cif_split_003/chuck31_4.cif: J. Appl. Cryst., 26, 343.
./tmp-cif_split_003/chuck31_4.cif: Beurskens, P.T., Admiraal, G., Beurskens, G., Bosman, W.P., de Gelder, R.,
./tmp-cif_split_003/chuck31_4.cif: Israel, R. and Smits, J.M.M. (1994). DIRDIF94. The DIRDIF-94 program system,
./tmp-cif_split_003/chuck31_4.cif: Technical Report of the Crystallography Laboratory, University of Nijmegen,
./tmp-cif_split_003/chuck31_4.cif: The Netherlands.
./tmp-cif_split_003/chuck31_4.cif: Nonius, B.V. (1997). Delft, Holland.
./tmp-cif_split_003/chuck31_4.cif: Sheldrick, G.M. (1994). SHELXTL. Release 5.03. Siemens Analytical X-ray
./tmp-cif_split_003/chuck31_4.cif: Instruments Inc., Madison, Wisconsin, USA.
./tmp-cif_split_003/chuck31_4.cif: Sheldrick, G.M. (1997). SHELX-97. Programs for the Solution and Refinement
./tmp-cif_split_003/chuck31_4.cif: of Crystal Structures. University of G"ottingen, Germany.
./tmp-cif_split_003/chuck31_4.cif: teXsan for Windows. (1997). Crystal Structure Analysis Package, Molecular
./tmp-cif_split_003/chuck31_4.cif: Structure Corporation.
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _publ_section_exptl_refinement
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: For 2a, all non-hydrogen atoms were refined anisotropically.  The four H 
./tmp-cif_split_003/chuck31_4.cif: atoms were found and refined with a common isotropic displacement parameter 
./tmp-cif_split_003/chuck31_4.cif: (FVAR 2).  The H atoms were constrained to ride on their attached carbon 
./tmp-cif_split_003/chuck31_4.cif: atoms but the coordinates were allowed to vary (AFIX 44) and the C-H bond 
./tmp-cif_split_003/chuck31_4.cif: distances were restrained to be equal (SADI, su = 0.02).  The C18 and C28 
./tmp-cif_split_003/chuck31_4.cif: CF~3~ groups were modelled as a two-positioned disorder with their C-F 
./tmp-cif_split_003/chuck31_4.cif: distances restrained to be equal (SADI, su = 0.02).  Absorption was 
./tmp-cif_split_003/chuck31_4.cif: corrected for based upon the redundancy of the data (DENZO-SMN, Nonius,
./tmp-cif_split_003/chuck31_4.cif: 1997).  Decay was negligible.
./tmp-cif_split_003/chuck31_4.cif: For 2b, 3 and 4, some non-hydrogen atoms were refined anisotropically while 
./tmp-cif_split_003/chuck31_4.cif: the rest were refined isotropically.  Hydrogen atoms were included but not 
./tmp-cif_split_003/chuck31_4.cif: refined.  The disordered CF~3~ groups were refined as rigid bodies riding on 
./tmp-cif_split_003/chuck31_4.cif: the attached carbon atom; the fluorine anisotropic displacement parameters 
./tmp-cif_split_003/chuck31_4.cif: were constrained to give a physically meaningful vibration along the C-F 
./tmp-cif_split_003/chuck31_4.cif: bonds.
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: data_chuck31_4
./tmp-cif_split_003/chuck31_4.cif: _audit_creation_method           manual editing
./tmp-cif_split_003/chuck31_4.cif: _chemical_name_systematic        ?
./tmp-cif_split_003/chuck31_4.cif: _chemical_name_common            ?
./tmp-cif_split_003/chuck31_4.cif: _chemical_melting_point          126-127
./tmp-cif_split_003/chuck31_4.cif: _chemical_formula_moiety         ?
./tmp-cif_split_003/chuck31_4.cif: _chemical_formula_sum            C19 H4 F21 O3 S Sb
./tmp-cif_split_003/chuck31_4.cif: _chemical_formula_weight         833.03
./tmp-cif_split_003/chuck31_4.cif: _symmetry_cell_setting           orthorhombic
./tmp-cif_split_003/chuck31_4.cif: _symmetry_space_group_name_H-M   P 21 21 21
./tmp-cif_split_003/chuck31_4.cif: _cell_length_a                   16.172(4)
./tmp-cif_split_003/chuck31_4.cif: _cell_length_b                   17.758(2)
./tmp-cif_split_003/chuck31_4.cif: _cell_length_c                   9.119(1)
./tmp-cif_split_003/chuck31_4.cif: _cell_angle_alpha                90.00
./tmp-cif_split_003/chuck31_4.cif: _cell_angle_beta                 90.00
./tmp-cif_split_003/chuck31_4.cif: _cell_angle_gamma                90.00
./tmp-cif_split_003/chuck31_4.cif: _cell_volume                     2618.8(6)
./tmp-cif_split_003/chuck31_4.cif: _cell_formula_units_Z            4
./tmp-cif_split_003/chuck31_4.cif: _cell_measurement_temperature    296(1)
./tmp-cif_split_003/chuck31_4.cif: _cell_measurement_reflns_used    25
./tmp-cif_split_003/chuck31_4.cif: _cell_measurement_theta_min      18.4
./tmp-cif_split_003/chuck31_4.cif: _cell_measurement_theta_max      21.4
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_description       block
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_colour            colourless
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_size_max          0.50
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_size_mid          0.40
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_size_min          0.40
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_density_meas      ?
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_density_diffrn    2.113
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_density_method    not measured
./tmp-cif_split_003/chuck31_4.cif: _exptl_crystal_F_000             1592
./tmp-cif_split_003/chuck31_4.cif: _exptl_absorpt_coefficient_mu    1.304
./tmp-cif_split_003/chuck31_4.cif: _exptl_absorpt_correction_type   psi-scan
./tmp-cif_split_003/chuck31_4.cif: _exptl_absorpt_correction_T_min  0.97
./tmp-cif_split_003/chuck31_4.cif: _exptl_absorpt_correction_T_max  1.00
./tmp-cif_split_003/chuck31_4.cif: _exptl_absorpt_process_details   ?
./tmp-cif_split_003/chuck31_4.cif: _exptl_special_details
./tmp-cif_split_003/chuck31_4.cif: ; 
./tmp-cif_split_003/chuck31_4.cif: ? 
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _diffrn_ambient_temperature      296(1)
./tmp-cif_split_003/chuck31_4.cif: _diffrn_radiation_wavelength     0.71069
./tmp-cif_split_003/chuck31_4.cif: _diffrn_radiation_type           MoKa
./tmp-cif_split_003/chuck31_4.cif: _diffrn_radiation_source         rotating anode (50 kV, 160 mA)
./tmp-cif_split_003/chuck31_4.cif: _diffrn_radiation_monochromator  graphite
./tmp-cif_split_003/chuck31_4.cif: _diffrn_measurement_device_type  Rigaku AFC5R
./tmp-cif_split_003/chuck31_4.cif: _diffrn_measurement_method       \w-2\q scans
./tmp-cif_split_003/chuck31_4.cif: _diffrn_standards_number         3
./tmp-cif_split_003/chuck31_4.cif: _diffrn_standards_interval_count 150
./tmp-cif_split_003/chuck31_4.cif: _diffrn_standards_interval_time  ?
./tmp-cif_split_003/chuck31_4.cif: _diffrn_standards_decay_%        4.0
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_number            4287
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_av_R_equivalents  ?
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_av_sigmaI/netI    ?
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_limit_h_min       0
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_limit_h_max       22
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_limit_k_min       0
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_limit_k_max       24
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_limit_l_min       0
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_limit_l_max       12
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_theta_min         2.51
./tmp-cif_split_003/chuck31_4.cif: _diffrn_reflns_theta_max         30.0
./tmp-cif_split_003/chuck31_4.cif: _reflns_number_total             ?
./tmp-cif_split_003/chuck31_4.cif: _reflns_number_gt                1840
./tmp-cif_split_003/chuck31_4.cif: _reflns_threshold_expression     I>3sigma(I)
./tmp-cif_split_003/chuck31_4.cif: _computing_data_collection       Rigaku AFC5R
./tmp-cif_split_003/chuck31_4.cif: _computing_cell_refinement       Rigaku AFC5R
./tmp-cif_split_003/chuck31_4.cif: _computing_data_reduction        Rigaku AFC5R
./tmp-cif_split_003/chuck31_4.cif: _computing_structure_solution    SIR92
./tmp-cif_split_003/chuck31_4.cif: _computing_structure_refinement  DIRDIF94
./tmp-cif_split_003/chuck31_4.cif: _computing_molecular_graphics    SHELXTL (Sheldrick, 1994) and teXsan
./tmp-cif_split_003/chuck31_4.cif: _computing_publication_material  ?
./tmp-cif_split_003/chuck31_4.cif: _refine_special_details
./tmp-cif_split_003/chuck31_4.cif: ; 
./tmp-cif_split_003/chuck31_4.cif: ?
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_structure_factor_coef F
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_matrix_type           full
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_weighting_scheme      unit
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_weighting_details     ?
./tmp-cif_split_003/chuck31_4.cif: _atom_sites_solution_primary     direct
./tmp-cif_split_003/chuck31_4.cif: _atom_sites_solution_secondary   difmap
./tmp-cif_split_003/chuck31_4.cif: _atom_sites_solution_hydrogens   geom
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_hydrogen_treatment    noref
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_extinction_method     secondary
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_extinction_coef       2.42117e-007
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_abs_structure_details ?
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_abs_structure_Flack   ?
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_number_reflns         1840
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_number_parameters     368
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_number_restraints     ?
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_R_factor_all          ?
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_R_factor_gt           0.043
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_wR_factor_ref         0.044
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_wR_factor_gt          0.044
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_goodness_of_fit_ref   1.40
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_restrained_S_all      ?
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_shift/su_max          0.53
./tmp-cif_split_003/chuck31_4.cif: _refine_ls_shift/su_mean         ?
./tmp-cif_split_003/chuck31_4.cif: _geom_special_details
./tmp-cif_split_003/chuck31_4.cif: ; 
./tmp-cif_split_003/chuck31_4.cif: ?
./tmp-cif_split_003/chuck31_4.cif: ;
./tmp-cif_split_003/chuck31_4.cif: _refine_diff_density_max         0.72
./tmp-cif_split_003/chuck31_4.cif: _refine_diff_density_min         -0.43
./tmp-cif_split_003/chuck31_4.cif: _refine_diff_density_rms         ?
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _atom_type_symbol
./tmp-cif_split_003/chuck31_4.cif: _atom_type_description
./tmp-cif_split_003/chuck31_4.cif: _atom_type_scat_dispersion_real
./tmp-cif_split_003/chuck31_4.cif: _atom_type_scat_dispersion_imag
./tmp-cif_split_003/chuck31_4.cif: _atom_type_scat_source
./tmp-cif_split_003/chuck31_4.cif: C C 0.0033 0.0016 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck31_4.cif: H H 0.0000 0.0000 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck31_4.cif: O O 0.0106 0.0060 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck31_4.cif: F F 0.0171 0.0103 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck31_4.cif: S S 0.1246 0.1234 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck31_4.cif: Sb Sb -0.5866 1.5461 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _symmetry_equiv_pos_as_xyz
./tmp-cif_split_003/chuck31_4.cif: x, y, z
./tmp-cif_split_003/chuck31_4.cif: -x+1/2, -y, z+1/2
./tmp-cif_split_003/chuck31_4.cif: -x, y+1/2, -z+1/2
./tmp-cif_split_003/chuck31_4.cif: x+1/2, -y+1/2, -z
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _atom_site_label
./tmp-cif_split_003/chuck31_4.cif: _atom_site_type_symbol
./tmp-cif_split_003/chuck31_4.cif: _atom_site_fract_x
./tmp-cif_split_003/chuck31_4.cif: _atom_site_fract_y
./tmp-cif_split_003/chuck31_4.cif: _atom_site_fract_z
./tmp-cif_split_003/chuck31_4.cif: _atom_site_B_iso_or_equiv
./tmp-cif_split_003/chuck31_4.cif: _atom_site_adp_type
./tmp-cif_split_003/chuck31_4.cif: _atom_site_occupancy
./tmp-cif_split_003/chuck31_4.cif: _atom_site_symmetry_multiplicity
./tmp-cif_split_003/chuck31_4.cif: _atom_site_calc_flag
./tmp-cif_split_003/chuck31_4.cif: _atom_site_refinement_flags
./tmp-cif_split_003/chuck31_4.cif: _atom_site_disorder_assembly
./tmp-cif_split_003/chuck31_4.cif: _atom_site_disorder_group
./tmp-cif_split_003/chuck31_4.cif: Sb1 Sb 0.23906(3) 0.22665(3) -0.0032(1) 3.72(1) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: S1 S 0.3148(2) 0.3011(2) -0.2912(4) 5.70(8) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F1 F 0.0276(4) 0.1706(4) 0.1344(8) 6.4(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F2 F 0.1506(4) 0.1545(4) 0.2100(8) 6.1(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F3 F 0.0534(5) 0.1778(4) 0.3659(8) 6.8(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F4 F -0.0311(9) 0.4199(7) 0.489(2) 10.1(4) Uani 0.70 1 d P A 1
./tmp-cif_split_003/chuck31_4.cif: F5 F 0.0501(7) 0.5096(7) 0.454(2) 8.9(4) Uani 0.70 1 d P A 1
./tmp-cif_split_003/chuck31_4.cif: F6 F -0.0430(8) 0.4892(8) 0.303(1) 10.0(4) Uani 0.70 1 d P A 1
./tmp-cif_split_003/chuck31_4.cif: F7 F 0.2877(5) 0.4710(5) 0.160(1) 9.1(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F8 F 0.2426(6) 0.4472(4) -0.0548(8) 7.2(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F9 F 0.3203(4) 0.3682(4) 0.0543(7) 5.9(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F10 F 0.3102(4) 0.0756(5) -0.1379(9) 8.0(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F11 F 0.2505(7) 0.0608(4) 0.0691(8) 7.4(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F12 F 0.2472(6) -0.0265(4) -0.090(1) 9.7(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F13 F -0.0560(8) -0.0298(8) -0.305(2) 9.8(4) Uani 0.70 1 d P B 3
./tmp-cif_split_003/chuck31_4.cif: F14 F 0.035(1) -0.0490(9) -0.446(2) 13.9(6) Uani 0.70 1 d P B 3
./tmp-cif_split_003/chuck31_4.cif: F15 F -0.052(1) 0.0389(7) -0.478(2) 15.3(5) Uani 0.70 1 d P B 3
./tmp-cif_split_003/chuck31_4.cif: F16 F 0.0338(7) 0.2884(4) -0.3261(9) 10.6(3) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F17 F 0.0818(4) 0.3098(3) -0.1215(8) 6.6(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F18 F -0.0344(5) 0.2624(5) -0.150(2) 14.5(4) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F19 F 0.2252(8) 0.2159(8) -0.452(1) 18.9(5) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F20 F 0.2131(8) 0.331(1) -0.480(1) 19.7(6) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F21 F 0.3203(8) 0.280(1) -0.562(1) 20.3(6) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: F22 F 0.0455 0.4546 0.5147 10(1) Uani 0.30 1 d P A 2
./tmp-cif_split_003/chuck31_4.cif: F23 F 0.0263 0.5180 0.3573 13(1) Uani 0.30 1 d P A 2
./tmp-cif_split_003/chuck31_4.cif: F24 F -0.0594 0.4289 0.4153 8.9(9) Uani 0.30 1 d P A 2
./tmp-cif_split_003/chuck31_4.cif: F25 F 0.0191 0.0098 -0.5113 7.9(8) Uani 0.30 1 d P B 4
./tmp-cif_split_003/chuck31_4.cif: F26 F 0.0280 -0.0615 -0.3586 13(1) Uani 0.30 1 d P B 4
./tmp-cif_split_003/chuck31_4.cif: F27 F -0.0779 0.0155 -0.3698 27(2) Uani 0.30 1 d P B 4
./tmp-cif_split_003/chuck31_4.cif: O1 O 0.2429(4) 0.2972(4) -0.1854(7) 4.6(1) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: O2 O 0.3469(6) 0.3734(6) -0.313(1) 8.4(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: O3 O 0.3697(6) 0.2409(6) -0.265(1) 8.9(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C1 C 0.1647(6) 0.3047(6) 0.132(1) 3.7(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C2 C 0.0994(5) 0.2780(6) 0.220(1) 3.3(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C3 C 0.0502(7) 0.3286(6) 0.300(1) 4.3(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C4 C 0.0662(6) 0.4031(6) 0.300(1) 3.9(2) Biso 1 1 d . A .
./tmp-cif_split_003/chuck31_4.cif: C5 C 0.1323(6) 0.4291(6) 0.223(1) 3.8(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C6 C 0.1833(6) 0.3807(6) 0.145(1) 3.7(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C7 C 0.0807(8) 0.1943(7) 0.229(1) 4.8(3) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C8 C 0.0097(8) 0.4544(8) 0.386(2) 5.5(3) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C9 C 0.2600(9) 0.4181(7) 0.077(1) 5.1(3) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C10 C 0.1473(6) 0.1567(6) -0.125(1) 3.2(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C11 C 0.1658(6) 0.0811(6) -0.141(1) 3.7(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C12 C 0.1181(7) 0.0329(6) -0.225(1) 4.6(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C13 C 0.0483(7) 0.0575(6) -0.291(1) 4.6(2) Biso 1 1 d . B .
./tmp-cif_split_003/chuck31_4.cif: C14 C 0.0282(6) 0.1328(6) -0.282(1) 4.0(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C15 C 0.0742(8) 0.1812(7) -0.198(1) 4.2(2) Biso 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C16 C 0.245(1) 0.0468(8) -0.074(2) 6.5(4) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C17 C -0.005(1) 0.0055(8) -0.383(2) 7.2(4) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C18 C 0.0413(7) 0.2603(6) -0.196(1) 4.5(3) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: C19 C 0.270(1) 0.270(1) -0.444(2) 13.4(7) Uani 1 1 d . . .
./tmp-cif_split_003/chuck31_4.cif: H1 H 0.0047 0.3111 0.3615 5.0 Biso 1 1 c R . .
./tmp-cif_split_003/chuck31_4.cif: H2 H 0.1439 0.4824 0.2231 4.5 Biso 1 1 c R . .
./tmp-cif_split_003/chuck31_4.cif: H3 H 0.1362 -0.0191 -0.2401 5.4 Biso 1 1 c R . .
./tmp-cif_split_003/chuck31_4.cif: H4 H -0.0189 0.1519 -0.3359 4.7 Biso 1 1 c R . .
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_label
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_U_11
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_U_22
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_U_33
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_U_23
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_U_13
./tmp-cif_split_003/chuck31_4.cif: _atom_site_aniso_U_12
./tmp-cif_split_003/chuck31_4.cif: Sb1 0.0425(2) 0.0529(3) 0.0458(2) 0.0003(6) -0.0035(6) 0.0047(3)
./tmp-cif_split_003/chuck31_4.cif: S1 0.069(2) 0.080(2) 0.068(2) 0.004(2) 0.006(2) -0.010(2)
./tmp-cif_split_003/chuck31_4.cif: F1 0.092(5) 0.059(4) 0.093(5) -0.020(4) 0.013(4) -0.026(4)
./tmp-cif_split_003/chuck31_4.cif: F2 0.094(5) 0.046(4) 0.090(5) 0.008(4) 0.021(4) 0.005(4)
./tmp-cif_split_003/chuck31_4.cif: F3 0.134(6) 0.053(4) 0.072(5) -0.001(4) 0.040(5) -0.019(4)
./tmp-cif_split_003/chuck31_4.cif: F4 0.18(1) 0.087(8) 0.12(1) -0.02(1) 0.08(1) 0.024(8)
./tmp-cif_split_003/chuck31_4.cif: F5 0.081(7) 0.116(9) 0.14(1) -0.092(8) 0.013(8) 0.003(7)
./tmp-cif_split_003/chuck31_4.cif: F6 0.12(1) 0.17(1) 0.089(9) -0.059(9) -0.021(8) 0.079(9)
./tmp-cif_split_003/chuck31_4.cif: F7 0.105(6) 0.114(6) 0.128(7) -0.049(6) 0.030(5) -0.060(5)
./tmp-cif_split_003/chuck31_4.cif: F8 0.089(5) 0.095(5) 0.091(5) 0.026(4) 0.022(5) 0.007(5)
./tmp-cif_split_003/chuck31_4.cif: F9 0.056(3) 0.078(4) 0.090(5) 0.001(4) 0.005(3) -0.015(3)
./tmp-cif_split_003/chuck31_4.cif: F10 0.068(4) 0.134(7) 0.102(6) 0.009(6) 0.011(5) 0.040(5)
./tmp-cif_split_003/chuck31_4.cif: F11 0.126(7) 0.088(5) 0.067(4) 0.005(4) -0.036(5) 0.046(6)
./tmp-cif_split_003/chuck31_4.cif: F12 0.148(7) 0.067(4) 0.152(7) -0.014(5) -0.045(7) 0.048(6)
./tmp-cif_split_003/chuck31_4.cif: F13 0.104(8) 0.16(1) 0.11(1) -0.02(1) -0.003(9) -0.090(8)
./tmp-cif_split_003/chuck31_4.cif: F14 0.12(1) 0.18(1) 0.23(2) -0.16(1) -0.01(1) 0.00(1)
./tmp-cif_split_003/chuck31_4.cif: F15 0.33(2) 0.069(8) 0.18(1) -0.03(1) -0.19(1) -0.00(1)
./tmp-cif_split_003/chuck31_4.cif: F16 0.25(1) 0.065(5) 0.088(6) 0.018(5) -0.061(7) 0.050(6)
./tmp-cif_split_003/chuck31_4.cif: F17 0.097(5) 0.045(4) 0.110(6) -0.023(4) -0.044(4) 0.027(3)
./tmp-cif_split_003/chuck31_4.cif: F18 0.073(5) 0.103(7) 0.38(2) -0.00(1) 0.050(8) 0.036(5)
./tmp-cif_split_003/chuck31_4.cif: F19 0.25(1) 0.35(1) 0.120(8) -0.135(9) 0.062(8) -0.18(1)
./tmp-cif_split_003/chuck31_4.cif: F20 0.18(1) 0.49(3) 0.088(7) 0.07(1) -0.040(8) -0.01(1)
./tmp-cif_split_003/chuck31_4.cif: F21 0.23(1) 0.47(2) 0.074(6) -0.07(1) 0.056(7) -0.10(2)
./tmp-cif_split_003/chuck31_4.cif: F22 0.16(3) 0.14(3) 0.09(2) -0.05(2) 0.00(3) 0.01(2)
./tmp-cif_split_003/chuck31_4.cif: F23 0.36(6) 0.03(1) 0.10(3) -0.01(2) 0.08(3) 0.05(2)
./tmp-cif_split_003/chuck31_4.cif: F24 0.017(9) 0.18(3) 0.14(3) -0.01(2) 0.02(1) 0.01(1)
./tmp-cif_split_003/chuck31_4.cif: F25 0.13(2) 0.07(2) 0.10(2) -0.03(2) -0.01(3) -0.02(2)
./tmp-cif_split_003/chuck31_4.cif: F26 0.28(5) 0.05(2) 0.17(4) 0.00(2) -0.04(4) -0.09(2)
./tmp-cif_split_003/chuck31_4.cif: F27 0.03(1) 0.8(1) 0.22(4) -0.33(4) -0.03(2) 0.01(3)
./tmp-cif_split_003/chuck31_4.cif: C7 0.063(7) 0.057(7) 0.062(8) -0.007(7) 0.004(6) -0.008(6)
./tmp-cif_split_003/chuck31_4.cif: C8 0.074(8) 0.069(9) 0.068(9) -0.012(7) 0.014(7) 0.021(7)
./tmp-cif_split_003/chuck31_4.cif: C9 0.061(7) 0.073(7) 0.058(7) -0.020(6) 0.006(7) -0.016(7)
./tmp-cif_split_003/chuck31_4.cif: C16 0.09(1) 0.074(8) 0.079(9) -0.002(7) -0.01(1) 0.041(9)
./tmp-cif_split_003/chuck31_4.cif: C17 0.14(1) 0.061(9) 0.08(1) -0.012(9) -0.01(1) -0.039(9)
./tmp-cif_split_003/chuck31_4.cif: C18 0.060(6) 0.042(6) 0.068(7) 0.006(6) -0.013(6) 0.004(5)
./tmp-cif_split_003/chuck31_4.cif: C19 0.13(1) 0.24(2) 0.13(2) -0.07(2) 0.06(1) -0.09(2)
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _geom_bond_atom_site_label_1
./tmp-cif_split_003/chuck31_4.cif: _geom_bond_atom_site_label_2
./tmp-cif_split_003/chuck31_4.cif: _geom_bond_distance
./tmp-cif_split_003/chuck31_4.cif: _geom_bond_site_symmetry_2
./tmp-cif_split_003/chuck31_4.cif: _geom_bond_publ_flag
./tmp-cif_split_003/chuck31_4.cif: Sb1 O1 2.082(8) . ?
./tmp-cif_split_003/chuck31_4.cif: Sb1 C1 2.21(1) . ?
./tmp-cif_split_003/chuck31_4.cif: Sb1 C10 2.23(1) . ?
./tmp-cif_split_003/chuck31_4.cif: S1 O1 1.513(9) . ?
./tmp-cif_split_003/chuck31_4.cif: S1 O2 1.40(1) . ?
./tmp-cif_split_003/chuck31_4.cif: S1 O3 1.41(1) . ?
./tmp-cif_split_003/chuck31_4.cif: S1 C19 1.66(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F1 C7 1.29(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F2 C7 1.34(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F3 C7 1.36(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F4 C8 1.30(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F5 C8 1.33(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F6 C8 1.30(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F7 C9 1.29(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F8 C9 1.33(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F9 C9 1.33(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F10 C16 1.31(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F11 C16 1.33(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F12 C16 1.31(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F13 C17 1.25(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F14 C17 1.30(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F15 C17 1.29(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F16 C18 1.29(1) . ?
./tmp-cif_split_003/chuck31_4.cif: F17 C18 1.29(1) . ?
./tmp-cif_split_003/chuck31_4.cif: F18 C18 1.30(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F19 C19 1.21(3) . ?
./tmp-cif_split_003/chuck31_4.cif: F20 C19 1.47(3) . ?
./tmp-cif_split_003/chuck31_4.cif: F21 C19 1.36(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F22 C8 1.31(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 1.19(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F24 C8 1.24(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F25 C17 1.24(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F26 C17 1.33(2) . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 1.19(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C1 C2 1.41(1) . ?
./tmp-cif_split_003/chuck31_4.cif: C1 C6 1.39(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C2 C3 1.40(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C2 C7 1.52(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C3 C4 1.35(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C4 C5 1.36(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C4 C8 1.51(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C5 C6 1.39(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C6 C9 1.54(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C10 C11 1.38(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C10 C15 1.42(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C11 C12 1.39(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C11 C16 1.55(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C12 C13 1.35(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C13 C14 1.38(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C13 C17 1.52(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C14 C15 1.37(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C15 C18 1.50(2) . ?
./tmp-cif_split_003/chuck31_4.cif: C3 H1 0.98 . ?
./tmp-cif_split_003/chuck31_4.cif: C5 H2 0.96 . ?
./tmp-cif_split_003/chuck31_4.cif: C12 H3 0.98 . ?
./tmp-cif_split_003/chuck31_4.cif: C14 H4 0.97 . ?
./tmp-cif_split_003/chuck31_4.cif: loop_
./tmp-cif_split_003/chuck31_4.cif: _geom_angle_atom_site_label_1
./tmp-cif_split_003/chuck31_4.cif: _geom_angle_atom_site_label_2
./tmp-cif_split_003/chuck31_4.cif: _geom_angle_atom_site_label_3
./tmp-cif_split_003/chuck31_4.cif: _geom_angle
./tmp-cif_split_003/chuck31_4.cif: _geom_angle_site_symmetry_1
./tmp-cif_split_003/chuck31_4.cif: _geom_angle_site_symmetry_3
./tmp-cif_split_003/chuck31_4.cif: _geom_angle_publ_flag
./tmp-cif_split_003/chuck31_4.cif: O1 Sb1 C1 94.8(4) . . ?
./tmp-cif_split_003/chuck31_4.cif: O1 Sb1 C10 87.7(4) . . ?
./tmp-cif_split_003/chuck31_4.cif: C1 Sb1 C10 105.3(4) . . ?
./tmp-cif_split_003/chuck31_4.cif: O2 S1 O1 114.6(6) . . ?
./tmp-cif_split_003/chuck31_4.cif: O3 S1 O1 109.9(6) . . ?
./tmp-cif_split_003/chuck31_4.cif: O1 S1 C19 100.6(8) . . ?
./tmp-cif_split_003/chuck31_4.cif: O2 S1 O3 119.2(7) . . ?
./tmp-cif_split_003/chuck31_4.cif: O2 S1 C19 111(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: O3 S1 C19 99(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: S1 O1 Sb1 124.0(5) . . ?
./tmp-cif_split_003/chuck31_4.cif: C2 C1 Sb1 121.0(9) . . ?
./tmp-cif_split_003/chuck31_4.cif: C6 C1 Sb1 122.7(9) . . ?
./tmp-cif_split_003/chuck31_4.cif: C6 C1 C2 116(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C3 C2 C1 120(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C1 C2 C7 120(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C3 C2 C7 119(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C4 C3 C2 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C3 C4 C5 119(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C3 C4 C8 118(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C5 C4 C8 123(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C4 C5 C6 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C5 C6 C1 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C1 C6 C9 124(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C5 C6 C9 115(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F1 C7 F2 108(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F1 C7 F3 109(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F1 C7 C2 115(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F2 C7 F3 106(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F2 C7 C2 110(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F3 C7 C2 109(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F4 C8 F5 105(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F6 C8 F4 108(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F4 C8 F22 65(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 F4 136(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F24 C8 F4 38(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F4 C8 C4 114(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F6 C8 F5 104(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F22 C8 F5 51(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 F5 45(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F24 C8 F5 128(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F5 C8 C4 113(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F6 C8 F22 145(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 F6 64(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F24 C8 F6 73(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F6 C8 C4 112(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 F22 96(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F24 C8 F22 102(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F22 C8 C4 102(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 F24 127(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F23 C8 C4 109(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F24 C8 C4 116(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F7 C9 F8 109(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F7 C9 F9 109(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F7 C9 C6 111(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F9 C9 F8 106(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F8 C9 C6 111(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F9 C9 C6 111(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C11 C10 Sb1 116.7(8) . . ?
./tmp-cif_split_003/chuck31_4.cif: C15 C10 Sb1 128.0(9) . . ?
./tmp-cif_split_003/chuck31_4.cif: C11 C10 C15 115(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C10 C11 C12 123(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C10 C11 C16 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C12 C11 C16 116(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C13 C12 C11 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C12 C13 C14 119(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C12 C13 C17 122(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C14 C13 C17 119(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C15 C14 C13 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C14 C15 C10 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C10 C15 C18 125(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: C14 C15 C18 114(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F10 C16 F11 108(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F10 C16 F12 108(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F10 C16 C11 110(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F12 C16 F11 107(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F11 C16 C11 112(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F12 C16 C11 112(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F13 C17 F14 102(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F13 C17 F15 103(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F25 C17 F13 141(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F13 C17 F26 74(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 F13 51(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F13 C17 C13 111(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F15 C17 F14 110(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F25 C17 F14 58(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F14 C17 F26 37(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 F14 130(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F14 C17 C13 114(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F25 C17 F15 62(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F15 C17 F26 140(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 F15 55(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F15 C17 C13 115(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F25 C17 F26 95(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 F25 114(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F25 C17 C13 108(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 F26 121(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F26 C17 C13 103(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F27 C17 C13 115(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F17 C18 F16 106(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F16 C18 F18 101(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F16 C18 C15 113(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F17 C18 F18 107(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F17 C18 C15 117(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F18 C18 C15 111(1) . . ?
./tmp-cif_split_003/chuck31_4.cif: F19 C19 S1 126(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F20 C19 S1 102(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F21 C19 S1 111(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F19 C19 F20 101(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F19 C19 F21 114(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: F21 C19 F20 96(2) . . ?
./tmp-cif_split_003/chuck31_4.cif: C2 C3 H1 121.4 . . ?
./tmp-cif_split_003/chuck31_4.cif: C4 C3 H1 117.3 . . ?
./tmp-cif_split_003/chuck31_4.cif: C4 C5 H2 119.2 . . ?
./tmp-cif_split_003/chuck31_4.cif: C6 C5 H2 119.3 . . ?
./tmp-cif_split_003/chuck31_4.cif: C11 C12 H3 119.5 . . ?
./tmp-cif_split_003/chuck31_4.cif: C13 C12 H3 119.6 . . ?
./tmp-cif_split_003/chuck31_4.cif: C13 C14 H4 119.4 . . ?
./tmp-cif_split_003/chuck31_4.cif: C15 C14 H4 119.5 . . ?
./tmp-cif_split_003/chuck39_2b.cif: data_global
./tmp-cif_split_003/chuck39_2b.cif: _publ_contact_author_name        Neil Burford
./tmp-cif_split_003/chuck39_2b.cif: _publ_contact_author_address
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Department of Chemistry
./tmp-cif_split_003/chuck39_2b.cif: Dalhousie University
./tmp-cif_split_003/chuck39_2b.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck39_2b.cif: CANADA
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _publ_contact_author_email       burford@chem1.chem.dal.ca
./tmp-cif_split_003/chuck39_2b.cif: _publ_contact_author_fax         (902) 494-1310
./tmp-cif_split_003/chuck39_2b.cif: _publ_contact_author_phone       (902) 494-3190
./tmp-cif_split_003/chuck39_2b.cif: _publ_requested_journal          Organometallics
./tmp-cif_split_003/chuck39_2b.cif: _publ_section_title
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Synthesis and characterization of the
./tmp-cif_split_003/chuck39_2b.cif: bis(2,4,6-tris[trifluoromethyl]phenyl)derivatives of arsenic and
./tmp-cif_split_003/chuck39_2b.cif: antimony: X-ray crystal structures of As(R~F~)~2~Cl, Sb(R~F~)~2~Cl and
./tmp-cif_split_003/chuck39_2b.cif: Sb(R~F~)~2~OSO~2~CF~3~
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _publ_section_title_footnote     ?
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _publ_author_name
./tmp-cif_split_003/chuck39_2b.cif: _publ_author_footnote
./tmp-cif_split_003/chuck39_2b.cif: _publ_author_address
./tmp-cif_split_003/chuck39_2b.cif: Neil Burford
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ?
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Department of Chemistry
./tmp-cif_split_003/chuck39_2b.cif: Dalhousie University
./tmp-cif_split_003/chuck39_2b.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck39_2b.cif: CANADA
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Charles L.B. Macdonald
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ?
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Department of Chemistry
./tmp-cif_split_003/chuck39_2b.cif: Dalhousie University
./tmp-cif_split_003/chuck39_2b.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck39_2b.cif: CANADA
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Daren J. LeBlanc
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ?
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Department of Chemistry
./tmp-cif_split_003/chuck39_2b.cif: Dalhousie University
./tmp-cif_split_003/chuck39_2b.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck39_2b.cif: CANADA
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: T. Stanley Cameron
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ?
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Department of Chemistry
./tmp-cif_split_003/chuck39_2b.cif: Dalhousie University
./tmp-cif_split_003/chuck39_2b.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/chuck39_2b.cif: CANADA
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _publ_section_references
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). SIR92.
./tmp-cif_split_003/chuck39_2b.cif: J. Appl. Cryst., 26, 343.
./tmp-cif_split_003/chuck39_2b.cif: Beurskens, P.T., Admiraal, G., Beurskens, G., Bosman, W.P., de Gelder, R.,
./tmp-cif_split_003/chuck39_2b.cif: Israel, R. and Smits, J.M.M. (1994). DIRDIF94. The DIRDIF-94 program system,
./tmp-cif_split_003/chuck39_2b.cif: Technical Report of the Crystallography Laboratory, University of Nijmegen,
./tmp-cif_split_003/chuck39_2b.cif: The Netherlands.
./tmp-cif_split_003/chuck39_2b.cif: Nonius, B.V. (1997). Delft, Holland.
./tmp-cif_split_003/chuck39_2b.cif: Sheldrick, G.M. (1994). SHELXTL. Release 5.03. Siemens Analytical X-ray
./tmp-cif_split_003/chuck39_2b.cif: Instruments Inc., Madison, Wisconsin, USA.
./tmp-cif_split_003/chuck39_2b.cif: Sheldrick, G.M. (1997). SHELX-97. Programs for the Solution and Refinement
./tmp-cif_split_003/chuck39_2b.cif: of Crystal Structures. University of G"ottingen, Germany.
./tmp-cif_split_003/chuck39_2b.cif: teXsan for Windows. (1997). Crystal Structure Analysis Package, Molecular
./tmp-cif_split_003/chuck39_2b.cif: Structure Corporation.
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _publ_section_exptl_refinement
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: For 2a, all non-hydrogen atoms were refined anisotropically.  The four H 
./tmp-cif_split_003/chuck39_2b.cif: atoms were found and refined with a common isotropic displacement parameter 
./tmp-cif_split_003/chuck39_2b.cif: (FVAR 2).  The H atoms were constrained to ride on their attached carbon 
./tmp-cif_split_003/chuck39_2b.cif: atoms but the coordinates were allowed to vary (AFIX 44) and the C-H bond 
./tmp-cif_split_003/chuck39_2b.cif: distances were restrained to be equal (SADI, su = 0.02).  The C18 and C28 
./tmp-cif_split_003/chuck39_2b.cif: CF~3~ groups were modelled as a two-positioned disorder with their C-F 
./tmp-cif_split_003/chuck39_2b.cif: distances restrained to be equal (SADI, su = 0.02).  Absorption was 
./tmp-cif_split_003/chuck39_2b.cif: corrected for based upon the redundancy of the data (DENZO-SMN, Nonius,
./tmp-cif_split_003/chuck39_2b.cif: 1997).  Decay was negligible.
./tmp-cif_split_003/chuck39_2b.cif: For 2b, 3 and 4, some non-hydrogen atoms were refined anisotropically while 
./tmp-cif_split_003/chuck39_2b.cif: the rest were refined isotropically.  Hydrogen atoms were included but not 
./tmp-cif_split_003/chuck39_2b.cif: refined.  The disordered CF~3~ groups were refined as rigid bodies riding on 
./tmp-cif_split_003/chuck39_2b.cif: the attached carbon atom; the fluorine anisotropic displacement parameters 
./tmp-cif_split_003/chuck39_2b.cif: were constrained to give a physically meaningful vibration along the C-F 
./tmp-cif_split_003/chuck39_2b.cif: bonds.
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: data_chuck39_2b
./tmp-cif_split_003/chuck39_2b.cif: _audit_creation_method           manual editing
./tmp-cif_split_003/chuck39_2b.cif: _chemical_name_systematic        ?
./tmp-cif_split_003/chuck39_2b.cif: _chemical_name_common            ?
./tmp-cif_split_003/chuck39_2b.cif: _chemical_melting_point          98-100
./tmp-cif_split_003/chuck39_2b.cif: _chemical_formula_moiety         ?
./tmp-cif_split_003/chuck39_2b.cif: _chemical_formula_sum            C18 H4 As Cl F18
./tmp-cif_split_003/chuck39_2b.cif: _chemical_formula_weight         672.58
./tmp-cif_split_003/chuck39_2b.cif: _symmetry_cell_setting           monoclinic
./tmp-cif_split_003/chuck39_2b.cif: _symmetry_space_group_name_H-M   P 21/a
./tmp-cif_split_003/chuck39_2b.cif: _cell_length_a                   8.705(9)
./tmp-cif_split_003/chuck39_2b.cif: _cell_length_b                   30.38(1)
./tmp-cif_split_003/chuck39_2b.cif: _cell_length_c                   8.167(4)
./tmp-cif_split_003/chuck39_2b.cif: _cell_angle_alpha                90.00
./tmp-cif_split_003/chuck39_2b.cif: _cell_angle_beta                 91.53(6)
./tmp-cif_split_003/chuck39_2b.cif: _cell_angle_gamma                90.00
./tmp-cif_split_003/chuck39_2b.cif: _cell_volume                     2159(2)
./tmp-cif_split_003/chuck39_2b.cif: _cell_formula_units_Z            4
./tmp-cif_split_003/chuck39_2b.cif: _cell_measurement_temperature    296(1)
./tmp-cif_split_003/chuck39_2b.cif: _cell_measurement_reflns_used    20
./tmp-cif_split_003/chuck39_2b.cif: _cell_measurement_theta_min      3.2
./tmp-cif_split_003/chuck39_2b.cif: _cell_measurement_theta_max      10.4
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_description       prism
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_colour            colourless
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_size_max          0.40
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_size_mid          0.30
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_size_min          0.20
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_density_meas      ?
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_density_diffrn    2.069
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_density_method    not measured
./tmp-cif_split_003/chuck39_2b.cif: _exptl_crystal_F_000             1296
./tmp-cif_split_003/chuck39_2b.cif: _exptl_absorpt_coefficient_mu    1.859
./tmp-cif_split_003/chuck39_2b.cif: _exptl_absorpt_correction_type   psi-scan
./tmp-cif_split_003/chuck39_2b.cif: _exptl_absorpt_correction_T_min  0.615
./tmp-cif_split_003/chuck39_2b.cif: _exptl_absorpt_correction_T_max  1.000
./tmp-cif_split_003/chuck39_2b.cif: _exptl_absorpt_process_details   ?
./tmp-cif_split_003/chuck39_2b.cif: _exptl_special_details
./tmp-cif_split_003/chuck39_2b.cif: ; 
./tmp-cif_split_003/chuck39_2b.cif: ? 
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_ambient_temperature      296(1)
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_radiation_wavelength     0.71073
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_radiation_type           MoKa
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_radiation_source         rotating anode (54 kV, 170 mA)
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_radiation_monochromator  graphite
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_measurement_device_type  Rigaku AFC5R
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_measurement_method       \w-2\q scans
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_standards_number         3
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_standards_interval_count 50
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_standards_interval_time  ?
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_standards_decay_%        2.6
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_number            4082
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_av_R_equivalents  0.109
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_av_sigmaI/netI    ?
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_limit_h_min       -8
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_limit_h_max       8
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_limit_k_min       0
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_limit_k_max       34
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_limit_l_min       0
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_limit_l_max       8
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_theta_min         ?
./tmp-cif_split_003/chuck39_2b.cif: _diffrn_reflns_theta_max         25.1
./tmp-cif_split_003/chuck39_2b.cif: _reflns_number_total             3825
./tmp-cif_split_003/chuck39_2b.cif: _reflns_number_gt                803
./tmp-cif_split_003/chuck39_2b.cif: _reflns_threshold_expression     I>3sigma(I)
./tmp-cif_split_003/chuck39_2b.cif: _computing_data_collection       Rigaku AFC5R
./tmp-cif_split_003/chuck39_2b.cif: _computing_cell_refinement       Rigaku AFC5R
./tmp-cif_split_003/chuck39_2b.cif: _computing_data_reduction        Rigaku AFC5R
./tmp-cif_split_003/chuck39_2b.cif: _computing_structure_solution    DIRDIF94
./tmp-cif_split_003/chuck39_2b.cif: _computing_structure_refinement  teXsan
./tmp-cif_split_003/chuck39_2b.cif: _computing_molecular_graphics    SHELXTL (Sheldrick, 1994) and teXsan
./tmp-cif_split_003/chuck39_2b.cif: _computing_publication_material  ?
./tmp-cif_split_003/chuck39_2b.cif: _refine_special_details
./tmp-cif_split_003/chuck39_2b.cif: ; 
./tmp-cif_split_003/chuck39_2b.cif: ?
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_structure_factor_coef F
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_matrix_type           full
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_weighting_scheme      unit
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_weighting_details     ?
./tmp-cif_split_003/chuck39_2b.cif: _atom_sites_solution_primary     direct
./tmp-cif_split_003/chuck39_2b.cif: _atom_sites_solution_secondary   difmap
./tmp-cif_split_003/chuck39_2b.cif: _atom_sites_solution_hydrogens   geom
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_hydrogen_treatment    noref
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_extinction_method     secondary
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_extinction_coef       1.48764e-007
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_number_reflns         803
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_number_parameters     206
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_number_restraints     ?
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_R_factor_all          ?
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_R_factor_gt           0.067
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_wR_factor_ref         0.073
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_wR_factor_gt          0.073
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_goodness_of_fit_ref   1.73
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_restrained_S_all      ?
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_shift/su_max          0.09
./tmp-cif_split_003/chuck39_2b.cif: _refine_ls_shift/su_mean         ?
./tmp-cif_split_003/chuck39_2b.cif: _geom_special_details
./tmp-cif_split_003/chuck39_2b.cif: ; 
./tmp-cif_split_003/chuck39_2b.cif: ?
./tmp-cif_split_003/chuck39_2b.cif: ;
./tmp-cif_split_003/chuck39_2b.cif: _refine_diff_density_max         0.53
./tmp-cif_split_003/chuck39_2b.cif: _refine_diff_density_min         -0.40
./tmp-cif_split_003/chuck39_2b.cif: _refine_diff_density_rms         ?
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _atom_type_symbol
./tmp-cif_split_003/chuck39_2b.cif: _atom_type_description
./tmp-cif_split_003/chuck39_2b.cif: _atom_type_scat_dispersion_real
./tmp-cif_split_003/chuck39_2b.cif: _atom_type_scat_dispersion_imag
./tmp-cif_split_003/chuck39_2b.cif: _atom_type_scat_source
./tmp-cif_split_003/chuck39_2b.cif: C C 0.0033 0.0016 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck39_2b.cif: H H 0.0000 0.0000 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck39_2b.cif: F F 0.0171 0.0103 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck39_2b.cif: Cl Cl 0.1484 0.1585 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck39_2b.cif: As As 0.0499 2.0058 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _symmetry_equiv_pos_as_xyz
./tmp-cif_split_003/chuck39_2b.cif: x, y, z
./tmp-cif_split_003/chuck39_2b.cif: -x+1/2, y+1/2, -z
./tmp-cif_split_003/chuck39_2b.cif: -x, -y, -z
./tmp-cif_split_003/chuck39_2b.cif: x-1/2, -y-1/2, z
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_label
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_type_symbol
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_fract_x
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_fract_y
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_fract_z
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_B_iso_or_equiv
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_adp_type
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_occupancy
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_symmetry_multiplicity
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_calc_flag
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_refinement_flags
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_disorder_assembly
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_disorder_group
./tmp-cif_split_003/chuck39_2b.cif: As1 As 0.5360(3) -0.12252(7) 0.2545(3) 4.37(6) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: Cl1 Cl 0.6994(8) -0.1019(2) 0.0718(9) 7.5(2) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F1 F 0.483(2) -0.2046(4) 0.447(2) 6.6(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F2 F 0.705(2) -0.2073(4) 0.328(2) 7.0(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F3 F 0.570(2) -0.2652(5) 0.354(2) 7.7(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F4 F 0.322(4) -0.2733(9) -0.346(4) 7.0(7) Biso 0.50 1 d P A 1
./tmp-cif_split_003/chuck39_2b.cif: F5 F 0.237(3) -0.3070(8) -0.147(3) 5.3(6) Biso 0.50 1 d P A 1
./tmp-cif_split_003/chuck39_2b.cif: F6 F 0.468(4) -0.310(1) -0.207(4) 8.1(8) Biso 0.50 1 d P A 1
./tmp-cif_split_003/chuck39_2b.cif: F7 F 0.225(2) -0.1249(5) -0.224(2) 10.7(6) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F8 F 0.451(2) -0.1191(4) -0.273(2) 8.4(4) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F9 F 0.366(2) -0.0870(4) -0.063(2) 9.4(5) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F10 F 0.028(1) -0.1219(4) 0.371(2) 6.7(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F11 F 0.119(1) -0.1431(4) 0.149(2) 6.3(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F12 F 0.249(1) -0.1507(4) 0.371(2) 6.6(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F13 F -0.051(2) 0.0305(4) 0.346(2) 8.3(5) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F14 F 0.130(2) 0.0733(4) 0.294(2) 9.8(6) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F15 F 0.004(2) 0.0444(5) 0.098(2) 8.8(5) Uani 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F16 F 0.667(1) -0.0064(4) 0.140(1) 4.9(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F17 F 0.610(1) 0.0237(4) 0.359(1) 5.1(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F18 F 0.685(1) -0.0434(4) 0.357(1) 5.2(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: F19 F 0.217(4) -0.2795(9) -0.276(4) 7.9(8) Biso 0.50 1 d P A 2
./tmp-cif_split_003/chuck39_2b.cif: F20 F 0.454(3) -0.2864(8) -0.314(3) 5.0(6) Biso 0.50 1 d P A 2
./tmp-cif_split_003/chuck39_2b.cif: F21 F 0.371(3) -0.3231(8) -0.115(3) 6.0(6) Biso 0.50 1 d P A 2
./tmp-cif_split_003/chuck39_2b.cif: C1 C 0.450(2) -0.1696(5) 0.098(2) 2.6(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C2 C 0.389(3) -0.1664(7) -0.061(3) 4.8(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C3 C 0.353(2) -0.2022(7) -0.162(3) 4.1(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C4 C 0.380(2) -0.2439(7) -0.096(3) 4.4(5) Biso 1 1 d . A .
./tmp-cif_split_003/chuck39_2b.cif: C5 C 0.451(2) -0.2495(7) 0.059(3) 4.1(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C6 C 0.482(2) -0.2137(6) 0.158(3) 3.8(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C7 C 0.363(4) -0.123(1) -0.154(4) 7.1(7) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C8 C 0.347(3) -0.2836(7) -0.201(3) 4.1(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C9 C 0.555(3) -0.2209(8) 0.323(3) 5.5(6) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C10 C 0.382(2) -0.0729(6) 0.255(2) 3.9(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C11 C 0.223(2) -0.0787(6) 0.261(2) 3.2(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C12 C 0.125(2) -0.0437(6) 0.261(2) 3.0(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C13 C 0.175(2) -0.0024(5) 0.252(2) 2.1(3) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C14 C 0.327(2) 0.0063(6) 0.251(2) 3.1(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C15 C 0.437(2) -0.0289(6) 0.258(2) 3.2(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C16 C 0.157(3) -0.1245(8) 0.287(3) 4.8(5) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C17 C 0.068(3) 0.0361(8) 0.250(4) 4.9(6) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: C18 C 0.597(2) -0.0140(5) 0.274(2) 1.9(4) Biso 1 1 d . . .
./tmp-cif_split_003/chuck39_2b.cif: H1 H 0.3121 -0.1984 -0.2698 4.9584 Biso 1 1 c R . .
./tmp-cif_split_003/chuck39_2b.cif: H2 H 0.4777 -0.2782 0.0958 4.9414 Biso 1 1 c R . .
./tmp-cif_split_003/chuck39_2b.cif: H3 H 0.0182 -0.0490 0.2689 3.6062 Biso 1 1 c R . .
./tmp-cif_split_003/chuck39_2b.cif: H4 H 0.3621 0.0359 0.2453 3.7401 Biso 1 1 c R . .
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_label
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_U_11
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_U_22
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_U_33
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_U_23
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_U_13
./tmp-cif_split_003/chuck39_2b.cif: _atom_site_aniso_U_12
./tmp-cif_split_003/chuck39_2b.cif: As1 0.072(2) 0.038(1) 0.056(1) -0.009(2) -0.005(1) 0.009(2)
./tmp-cif_split_003/chuck39_2b.cif: Cl1 0.084(5) 0.070(4) 0.136(7) -0.025(4) 0.051(5) -0.006(4)
./tmp-cif_split_003/chuck39_2b.cif: F7 0.15(2) 0.09(1) 0.16(2) 0.04(1) -0.07(1) 0.02(1)
./tmp-cif_split_003/chuck39_2b.cif: F8 0.18(2) 0.077(9) 0.062(9) 0.01(1) 0.04(1) 0.01(1)
./tmp-cif_split_003/chuck39_2b.cif: F9 0.28(2) 0.038(8) 0.044(9) 0.004(7) 0.03(1) 0.04(1)
./tmp-cif_split_003/chuck39_2b.cif: F13 0.11(1) 0.09(1) 0.12(1) 0.01(1) 0.01(1) 0.042(9)
./tmp-cif_split_003/chuck39_2b.cif: F14 0.12(1) 0.05(1) 0.20(2) -0.05(1) -0.04(1) 0.031(9)
./tmp-cif_split_003/chuck39_2b.cif: F15 0.13(1) 0.12(1) 0.08(1) 0.016(9) -0.01(1) 0.07(1)
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _geom_bond_atom_site_label_1
./tmp-cif_split_003/chuck39_2b.cif: _geom_bond_atom_site_label_2
./tmp-cif_split_003/chuck39_2b.cif: _geom_bond_distance
./tmp-cif_split_003/chuck39_2b.cif: _geom_bond_site_symmetry_2
./tmp-cif_split_003/chuck39_2b.cif: _geom_bond_publ_flag
./tmp-cif_split_003/chuck39_2b.cif: As1 Cl1 2.181(9) . ?
./tmp-cif_split_003/chuck39_2b.cif: As1 C1 2.05(2) . ?
./tmp-cif_split_003/chuck39_2b.cif: As1 C10 2.02(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F1 C9 1.30(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F2 C9 1.37(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F3 C9 1.38(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 1.24(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F5 C8 1.28(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F6 C8 1.32(5) . ?
./tmp-cif_split_003/chuck39_2b.cif: F7 C7 1.32(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F8 C7 1.26(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F9 C7 1.32(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F10 C16 1.33(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F11 C16 1.30(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F12 C16 1.31(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F13 C17 1.32(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F14 C17 1.30(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F15 C17 1.37(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: F16 C18 1.29(2) . ?
./tmp-cif_split_003/chuck39_2b.cif: F17 C18 1.34(2) . ?
./tmp-cif_split_003/chuck39_2b.cif: F18 C18 1.35(2) . ?
./tmp-cif_split_003/chuck39_2b.cif: F19 C8 1.27(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F20 C8 1.33(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: F21 C8 1.41(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: C1 C2 1.39(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C1 C6 1.45(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C2 C3 1.39(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C2 C7 1.54(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: C3 C4 1.40(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C4 C5 1.40(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C4 C8 1.51(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C5 C6 1.38(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C6 C9 1.49(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 C11 1.40(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 C15 1.42(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C11 C12 1.36(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C11 C16 1.52(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C12 C13 1.33(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C13 C14 1.36(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C13 C17 1.49(4) . ?
./tmp-cif_split_003/chuck39_2b.cif: C14 C15 1.43(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C15 C18 1.47(3) . ?
./tmp-cif_split_003/chuck39_2b.cif: C3 H1 0.98 . ?
./tmp-cif_split_003/chuck39_2b.cif: C5 H2 1.00 . ?
./tmp-cif_split_003/chuck39_2b.cif: C12 H3 1.01 . ?
./tmp-cif_split_003/chuck39_2b.cif: C14 H4 0.99 . ?
./tmp-cif_split_003/chuck39_2b.cif: loop_
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle_atom_site_label_1
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle_atom_site_label_2
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle_atom_site_label_3
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle_site_symmetry_1
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle_site_symmetry_3
./tmp-cif_split_003/chuck39_2b.cif: _geom_angle_publ_flag
./tmp-cif_split_003/chuck39_2b.cif: C1 As1 Cl1 90.4(7) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 As1 Cl1 103.4(8) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 As1 C1 107(1) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C2 C1 As1 131(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C6 C1 As1 112(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C2 C1 C6 116(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C1 C2 C3 125(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C1 C2 C7 125(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C3 C2 C7 111(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C4 C3 C2 117(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C3 C4 C5 122(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C3 C4 C8 118(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C5 C4 C8 120(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C6 C5 C4 121(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C5 C6 C1 120(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C1 C6 C9 121(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C5 C6 C9 119(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F8 C7 F7 104(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F7 C7 F9 107(4) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F7 C7 C2 107(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F8 C7 F9 111(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F8 C7 C2 112(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F9 C7 C2 116(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 F5 111(4) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 F6 104(4) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 F19 52(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 F20 57(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 F21 136(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F4 C8 C4 112(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F5 C8 F6 106(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F19 C8 F5 64(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F5 C8 F20 139(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F5 C8 F21 57(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F5 C8 C4 112(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F19 C8 F6 138(4) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F6 C8 F20 51(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F6 C8 F21 52(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F6 C8 C4 111(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F19 C8 F20 108(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F19 C8 F21 116(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F19 C8 C4 110(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F20 C8 F21 101(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F20 C8 C4 109(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F21 C8 C4 112(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F1 C9 F2 110(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F1 C9 F3 106(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F1 C9 C6 117(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F2 C9 F3 101(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F2 C9 C6 111(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F3 C9 C6 110(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C11 C10 As1 124(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C15 C10 As1 119(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C11 C10 C15 117(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C12 C11 C10 121(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 C11 C16 120(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C12 C11 C16 118(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C13 C12 C11 122(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C12 C13 C14 120(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C12 C13 C17 123(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C14 C13 C17 117(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C13 C14 C15 120(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 C15 C14 119(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C10 C15 C18 128(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C14 C15 C18 114(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F11 C16 F10 106(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F12 C16 F10 106(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F10 C16 C11 110(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F11 C16 F12 109(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F11 C16 C11 111(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F12 C16 C11 114(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F14 C17 F13 106(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F13 C17 F15 105(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F13 C17 C13 113(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F14 C17 F15 104(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F14 C17 C13 115(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F15 C17 C13 113(3) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F16 C18 F17 104(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F16 C18 F18 106(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F16 C18 C15 117(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F17 C18 F18 105(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F17 C18 C15 112(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: F18 C18 C15 111(2) . . ?
./tmp-cif_split_003/chuck39_2b.cif: C2 C3 H1 121.4 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C4 C3 H1 122.0 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C4 C5 H2 120.1 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C6 C5 H2 119.2 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C11 C12 H3 119.8 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C13 C12 H3 117.9 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C13 C14 H4 118.8 . . ?
./tmp-cif_split_003/chuck39_2b.cif: C15 C14 H4 120.7 . . ?
./tmp-cif_split_003/cm165_2a.cif: data_global
./tmp-cif_split_003/cm165_2a.cif: _publ_contact_author_name        Neil Burford
./tmp-cif_split_003/cm165_2a.cif: _publ_contact_author_address
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Department of Chemistry
./tmp-cif_split_003/cm165_2a.cif: Dalhousie University
./tmp-cif_split_003/cm165_2a.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/cm165_2a.cif: CANADA
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _publ_contact_author_email       burford@chem1.chem.dal.ca
./tmp-cif_split_003/cm165_2a.cif: _publ_contact_author_fax         (902) 494-1310
./tmp-cif_split_003/cm165_2a.cif: _publ_contact_author_phone       (902) 494-3190
./tmp-cif_split_003/cm165_2a.cif: _publ_requested_journal          Organometallics
./tmp-cif_split_003/cm165_2a.cif: _publ_section_title
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Synthesis and characterization of the
./tmp-cif_split_003/cm165_2a.cif: bis(2,4,6-tris[trifluoromethyl]phenyl)derivatives of arsenic and
./tmp-cif_split_003/cm165_2a.cif: antimony: X-ray crystal structures of As(R~F~)~2~Cl, Sb(R~F~)~2~Cl and
./tmp-cif_split_003/cm165_2a.cif: Sb(R~F~)~2~OSO~2~CF~3~
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _publ_section_title_footnote     ?
./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _publ_author_name
./tmp-cif_split_003/cm165_2a.cif: _publ_author_footnote
./tmp-cif_split_003/cm165_2a.cif: _publ_author_address
./tmp-cif_split_003/cm165_2a.cif: Neil Burford
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ?
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Department of Chemistry
./tmp-cif_split_003/cm165_2a.cif: Dalhousie University
./tmp-cif_split_003/cm165_2a.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/cm165_2a.cif: CANADA
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Charles L.B. Macdonald
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ?
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Department of Chemistry
./tmp-cif_split_003/cm165_2a.cif: Dalhousie University
./tmp-cif_split_003/cm165_2a.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/cm165_2a.cif: CANADA
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Daren J. LeBlanc
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ?
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Department of Chemistry
./tmp-cif_split_003/cm165_2a.cif: Dalhousie University
./tmp-cif_split_003/cm165_2a.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/cm165_2a.cif: CANADA
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: T. Stanley Cameron
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ?
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Department of Chemistry
./tmp-cif_split_003/cm165_2a.cif: Dalhousie University
./tmp-cif_split_003/cm165_2a.cif: Halifax, NS B3H 4J3
./tmp-cif_split_003/cm165_2a.cif: CANADA
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _publ_section_references
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: Altomare, A., Cascarano, M., Giacovazzo, C., Guagliardi, A. (1993). SIR92.
./tmp-cif_split_003/cm165_2a.cif: J. Appl. Cryst., 26, 343.
./tmp-cif_split_003/cm165_2a.cif: Beurskens, P.T., Admiraal, G., Beurskens, G., Bosman, W.P., de Gelder, R.,
./tmp-cif_split_003/cm165_2a.cif: Israel, R. and Smits, J.M.M. (1994). DIRDIF94. The DIRDIF-94 program system,
./tmp-cif_split_003/cm165_2a.cif: Technical Report of the Crystallography Laboratory, University of Nijmegen,
./tmp-cif_split_003/cm165_2a.cif: The Netherlands.
./tmp-cif_split_003/cm165_2a.cif: Nonius, B.V. (1997). Delft, Holland.
./tmp-cif_split_003/cm165_2a.cif: Sheldrick, G.M. (1994). SHELXTL. Release 5.03. Siemens Analytical X-ray
./tmp-cif_split_003/cm165_2a.cif: Instruments Inc., Madison, Wisconsin, USA.
./tmp-cif_split_003/cm165_2a.cif: Sheldrick, G.M. (1997). SHELX-97. Programs for the Solution and Refinement
./tmp-cif_split_003/cm165_2a.cif: of Crystal Structures. University of G"ottingen, Germany.
./tmp-cif_split_003/cm165_2a.cif: teXsan for Windows. (1997). Crystal Structure Analysis Package, Molecular
./tmp-cif_split_003/cm165_2a.cif: Structure Corporation.
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _publ_section_exptl_refinement
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: For 2a, all non-hydrogen atoms were refined anisotropically.  The four H 
./tmp-cif_split_003/cm165_2a.cif: atoms were found and refined with a common isotropic displacement parameter 
./tmp-cif_split_003/cm165_2a.cif: (FVAR 2).  The H atoms were constrained to ride on their attached carbon 
./tmp-cif_split_003/cm165_2a.cif: atoms but the coordinates were allowed to vary (AFIX 44) and the C-H bond 
./tmp-cif_split_003/cm165_2a.cif: distances were restrained to be equal (SADI, su = 0.02).  The C18 and C28 
./tmp-cif_split_003/cm165_2a.cif: CF~3~ groups were modelled as a two-positioned disorder with their C-F 
./tmp-cif_split_003/cm165_2a.cif: distances restrained to be equal (SADI, su = 0.02).  Absorption was 
./tmp-cif_split_003/cm165_2a.cif: corrected for based upon the redundancy of the data (DENZO-SMN, Nonius,
./tmp-cif_split_003/cm165_2a.cif: 1997).  Decay was negligible.
./tmp-cif_split_003/cm165_2a.cif: For 2b, 3 and 4, some non-hydrogen atoms were refined anisotropically while 
./tmp-cif_split_003/cm165_2a.cif: the rest were refined isotropically.  Hydrogen atoms were included but not 
./tmp-cif_split_003/cm165_2a.cif: refined.  The disordered CF~3~ groups were refined as rigid bodies riding on 
./tmp-cif_split_003/cm165_2a.cif: the attached carbon atom; the fluorine anisotropic displacement parameters 
./tmp-cif_split_003/cm165_2a.cif: were constrained to give a physically meaningful vibration along the C-F 
./tmp-cif_split_003/cm165_2a.cif: bonds.
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: data_cm165_2a
./tmp-cif_split_003/cm165_2a.cif: _audit_creation_method           SHELXL-97
./tmp-cif_split_003/cm165_2a.cif: _chemical_name_systematic        ?
./tmp-cif_split_003/cm165_2a.cif: _chemical_name_common            ?
./tmp-cif_split_003/cm165_2a.cif: _chemical_melting_point          98-100
./tmp-cif_split_003/cm165_2a.cif: _chemical_formula_moiety         ?
./tmp-cif_split_003/cm165_2a.cif: _chemical_formula_sum            C18 H4 As Cl F18
./tmp-cif_split_003/cm165_2a.cif: _chemical_formula_weight         672.58
./tmp-cif_split_003/cm165_2a.cif: _symmetry_cell_setting           orthorhombic
./tmp-cif_split_003/cm165_2a.cif: _symmetry_space_group_name_H-M   P 21 21 21
./tmp-cif_split_003/cm165_2a.cif: _cell_length_a                   8.6646(2)
./tmp-cif_split_003/cm165_2a.cif: _cell_length_b                   9.69650(10)
./tmp-cif_split_003/cm165_2a.cif: _cell_length_c                   25.4076(6)
./tmp-cif_split_003/cm165_2a.cif: _cell_angle_alpha                90.00
./tmp-cif_split_003/cm165_2a.cif: _cell_angle_beta                 90.00
./tmp-cif_split_003/cm165_2a.cif: _cell_angle_gamma                90.00
./tmp-cif_split_003/cm165_2a.cif: _cell_volume                     2134.65(7)
./tmp-cif_split_003/cm165_2a.cif: _cell_formula_units_Z            4
./tmp-cif_split_003/cm165_2a.cif: _cell_measurement_temperature    130(2)
./tmp-cif_split_003/cm165_2a.cif: _cell_measurement_reflns_used    16157
./tmp-cif_split_003/cm165_2a.cif: _cell_measurement_theta_min      2.48
./tmp-cif_split_003/cm165_2a.cif: _cell_measurement_theta_max      26.37
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_description       plate
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_colour            colourless
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_size_max          0.30
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_size_mid          0.25
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_size_min          0.15
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_density_meas      ?
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_density_diffrn    2.093
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_density_method    not measured
./tmp-cif_split_003/cm165_2a.cif: _exptl_crystal_F_000             1296
./tmp-cif_split_003/cm165_2a.cif: _exptl_absorpt_coefficient_mu    1.880
./tmp-cif_split_003/cm165_2a.cif: _exptl_absorpt_correction_type   multi-scan
./tmp-cif_split_003/cm165_2a.cif: _exptl_absorpt_correction_T_min  0.602
./tmp-cif_split_003/cm165_2a.cif: _exptl_absorpt_correction_T_max  0.766
./tmp-cif_split_003/cm165_2a.cif: _exptl_absorpt_process_details   (Nonius, 1997)
./tmp-cif_split_003/cm165_2a.cif: _exptl_special_details
./tmp-cif_split_003/cm165_2a.cif: ; 
./tmp-cif_split_003/cm165_2a.cif: ? 
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _diffrn_ambient_temperature      130(2)
./tmp-cif_split_003/cm165_2a.cif: _diffrn_radiation_wavelength     0.71073
./tmp-cif_split_003/cm165_2a.cif: _diffrn_radiation_type           MoKa
./tmp-cif_split_003/cm165_2a.cif: _diffrn_radiation_source         sealed tube (50 kV, 23 mA)
./tmp-cif_split_003/cm165_2a.cif: _diffrn_radiation_monochromator  graphite
./tmp-cif_split_003/cm165_2a.cif: _diffrn_measurement_device_type  Nonius KappaCCD
./tmp-cif_split_003/cm165_2a.cif: _diffrn_measurement_method       1\% rotations on \f
./tmp-cif_split_003/cm165_2a.cif: _diffrn_detector_area_resol_mean 9.2
./tmp-cif_split_003/cm165_2a.cif: _diffrn_standards_number         ?
./tmp-cif_split_003/cm165_2a.cif: _diffrn_standards_interval_count ?
./tmp-cif_split_003/cm165_2a.cif: _diffrn_standards_interval_time  ?
./tmp-cif_split_003/cm165_2a.cif: _diffrn_standards_decay_%        0
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_number            16157
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_av_R_equivalents  0.0740
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_av_sigmaI/netI    0.0413
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_limit_h_min       -10
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_limit_h_max       10
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_limit_k_min       -11
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_limit_k_max       11
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_limit_l_min       -31
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_limit_l_max       31
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_theta_min         2.48
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_theta_max         26.37
./tmp-cif_split_003/cm165_2a.cif: _reflns_number_total             4353
./tmp-cif_split_003/cm165_2a.cif: _reflns_number_gt                3925
./tmp-cif_split_003/cm165_2a.cif: _reflns_threshold_expression     I>2sigma(I)
./tmp-cif_split_003/cm165_2a.cif: _computing_data_collection       KappaCCD Server software (Nonius, 1997)
./tmp-cif_split_003/cm165_2a.cif: _computing_cell_refinement       DENZO-SMN (Nonius, 1997)
./tmp-cif_split_003/cm165_2a.cif: _computing_data_reduction        DENZO-SMN (Nonius, 1997)
./tmp-cif_split_003/cm165_2a.cif: _computing_structure_solution    SHELXS-97 (Sheldrick, 1997)
./tmp-cif_split_003/cm165_2a.cif: _computing_structure_refinement  SHELXL-97 (Sheldrick, 1997)
./tmp-cif_split_003/cm165_2a.cif: _computing_molecular_graphics    SHELXTL (Sheldrick, 1994)
./tmp-cif_split_003/cm165_2a.cif: _computing_publication_material  SHELXL-97 (Sheldrick, 1997)
./tmp-cif_split_003/cm165_2a.cif: _refine_special_details
./tmp-cif_split_003/cm165_2a.cif: ; 
./tmp-cif_split_003/cm165_2a.cif: Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
./tmp-cif_split_003/cm165_2a.cif: goodness of fit S are based on F^2^, conventional R-factors R are based 
./tmp-cif_split_003/cm165_2a.cif: on F, with F set to zero for negative F^2^. The threshold expression of 
./tmp-cif_split_003/cm165_2a.cif: F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
./tmp-cif_split_003/cm165_2a.cif: not relevant to the choice of reflections for refinement.  R-factors based 
./tmp-cif_split_003/cm165_2a.cif: on F^2^ are statistically about twice as large as those based on F, and R- 
./tmp-cif_split_003/cm165_2a.cif: factors based on ALL data will be even larger. 
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_structure_factor_coef Fsqd
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_matrix_type           full
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_weighting_scheme      calc
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_weighting_details
./tmp-cif_split_003/cm165_2a.cif: calc w=1/[\s^2^(Fo^2^)+(0.0271P)^2^+2.7658P] where P=(Fo^2^+2Fc^2^)/3
./tmp-cif_split_003/cm165_2a.cif: _atom_sites_solution_primary     direct
./tmp-cif_split_003/cm165_2a.cif: _atom_sites_solution_secondary   difmap
./tmp-cif_split_003/cm165_2a.cif: _atom_sites_solution_hydrogens   geom
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_hydrogen_treatment    mixed
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_extinction_method     none
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_extinction_coef       ?
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_abs_structure_details Flack H D (1983), Acta Cryst. A39, 876-881
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_abs_structure_Flack   0.002(10)
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_number_reflns         4353
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_number_parameters     402
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_number_restraints     36
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_R_factor_all          0.0403
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_R_factor_gt           0.0334
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_wR_factor_ref         0.0822
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_wR_factor_gt          0.0775
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_goodness_of_fit_ref   1.062
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_restrained_S_all      1.084
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_shift/su_max          0.001
./tmp-cif_split_003/cm165_2a.cif: _refine_ls_shift/su_mean         0.000
./tmp-cif_split_003/cm165_2a.cif: _geom_special_details
./tmp-cif_split_003/cm165_2a.cif: ; 
./tmp-cif_split_003/cm165_2a.cif: All esds (except the esd in the dihedral angle between two l.s. planes) 
./tmp-cif_split_003/cm165_2a.cif: are estimated using the full covariance matrix.  The cell esds are taken 
./tmp-cif_split_003/cm165_2a.cif: into account individually in the estimation of esds in distances, angles 
./tmp-cif_split_003/cm165_2a.cif: and torsion angles; correlations between esds in cell parameters are only 
./tmp-cif_split_003/cm165_2a.cif: used when they are defined by crystal symmetry.  An approximate (isotropic) 
./tmp-cif_split_003/cm165_2a.cif: treatment of cell esds is used for estimating esds involving l.s. planes. 
./tmp-cif_split_003/cm165_2a.cif: ;
./tmp-cif_split_003/cm165_2a.cif: _diffrn_measured_fraction_theta_max 0.995
./tmp-cif_split_003/cm165_2a.cif: _diffrn_reflns_theta_full        26.37
./tmp-cif_split_003/cm165_2a.cif: _diffrn_measured_fraction_theta_full 0.995
./tmp-cif_split_003/cm165_2a.cif: _refine_diff_density_max         0.451
./tmp-cif_split_003/cm165_2a.cif: _refine_diff_density_min         -0.463
./tmp-cif_split_003/cm165_2a.cif: _refine_diff_density_rms         0.070
./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _atom_type_symbol
./tmp-cif_split_003/cm165_2a.cif: _atom_type_description
./tmp-cif_split_003/cm165_2a.cif: _atom_type_scat_dispersion_real
./tmp-cif_split_003/cm165_2a.cif: _atom_type_scat_dispersion_imag
./tmp-cif_split_003/cm165_2a.cif: _atom_type_scat_source
./tmp-cif_split_003/cm165_2a.cif: C C 0.0033 0.0016 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/cm165_2a.cif: H H 0.0000 0.0000 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/cm165_2a.cif: As As 0.0499 2.0058 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/cm165_2a.cif: Cl Cl 0.1484 0.1585 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/cm165_2a.cif: F F 0.0171 0.0103 International Tables Vol C Tables 4.2.6.8 and 6.1.1.4
./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _symmetry_equiv_pos_as_xyz
./tmp-cif_split_003/cm165_2a.cif: x, y, z
./tmp-cif_split_003/cm165_2a.cif: -x+1/2, -y, z+1/2
./tmp-cif_split_003/cm165_2a.cif: -x, y+1/2, -z+1/2
./tmp-cif_split_003/cm165_2a.cif: x+1/2, -y+1/2, -z
./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _atom_site_label
./tmp-cif_split_003/cm165_2a.cif: _atom_site_type_symbol
./tmp-cif_split_003/cm165_2a.cif: _atom_site_fract_x
./tmp-cif_split_003/cm165_2a.cif: _atom_site_fract_y
./tmp-cif_split_003/cm165_2a.cif: _atom_site_fract_z
./tmp-cif_split_003/cm165_2a.cif: _atom_site_U_iso_or_equiv
./tmp-cif_split_003/cm165_2a.cif: _atom_site_adp_type
./tmp-cif_split_003/cm165_2a.cif: _atom_site_occupancy
./tmp-cif_split_003/cm165_2a.cif: _atom_site_symmetry_multiplicity
./tmp-cif_split_003/cm165_2a.cif: _atom_site_calc_flag
./tmp-cif_split_003/cm165_2a.cif: _atom_site_refinement_flags
./tmp-cif_split_003/cm165_2a.cif: _atom_site_disorder_assembly
./tmp-cif_split_003/cm165_2a.cif: _atom_site_disorder_group
./tmp-cif_split_003/cm165_2a.cif: As1 As 0.94158(4) 0.87273(4) 0.106997(15) 0.02487(10) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: Cl1 Cl 0.76045(13) 0.92249(13) 0.16416(5) 0.0436(3) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C1 C 0.8803(5) 0.6783(4) 0.08702(15) 0.0245(8) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C2 C 0.9869(5) 0.5692(4) 0.08221(16) 0.0264(9) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C3 C 0.9397(5) 0.4367(4) 0.06979(15) 0.0279(8) Uani 1 1 d D . .
./tmp-cif_split_003/cm165_2a.cif: H3A H 1.013(2) 0.365(2) 0.06756(16) 0.037(6) Uiso 1 1 c RD . .
./tmp-cif_split_003/cm165_2a.cif: C4 C 0.7859(5) 0.4098(4) 0.06067(16) 0.0303(9) Uani 1 1 d . A .
./tmp-cif_split_003/cm165_2a.cif: C5 C 0.6801(5) 0.5160(5) 0.06015(16) 0.0303(9) Uani 1 1 d D . .
./tmp-cif_split_003/cm165_2a.cif: H5A H 0.576(3) 0.4981(7) 0.0517(3) 0.037(6) Uiso 1 1 c RD . .
./tmp-cif_split_003/cm165_2a.cif: C6 C 0.7272(4) 0.6499(4) 0.07212(14) 0.0247(8) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C7 C 1.1575(5) 0.5895(4) 0.08793(19) 0.0345(10) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C8 C 0.7341(6) 0.2651(5) 0.0484(2) 0.0462(12) Uani 1 1 d D . .
./tmp-cif_split_003/cm165_2a.cif: C9 C 0.6024(5) 0.7559(5) 0.06457(17) 0.0325(9) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F1 F 1.2377(3) 0.5012(3) 0.05764(12) 0.0464(7) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F2 F 1.2083(3) 0.5717(3) 0.13685(11) 0.0452(7) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F3 F 1.2008(3) 0.7164(3) 0.07237(11) 0.0363(6) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F4 F 0.6031(9) 0.2533(8) 0.0271(4) 0.082(3) Uani 0.65 1 d PD A 1
./tmp-cif_split_003/cm165_2a.cif: F5 F 0.7214(12) 0.1937(6) 0.0938(3) 0.078(2) Uani 0.65 1 d PD A 1
./tmp-cif_split_003/cm165_2a.cif: F6 F 0.8346(10) 0.1932(9) 0.0230(5) 0.096(4) Uani 0.65 1 d PD A 1
./tmp-cif_split_003/cm165_2a.cif: F4A F 0.829(3) 0.1731(13) 0.0591(15) 0.194(19) Uani 0.35 1 d PD A 2
./tmp-cif_split_003/cm165_2a.cif: F5A F 0.731(2) 0.2509(11) -0.0053(3) 0.070(3) Uani 0.35 1 d PD A 2
./tmp-cif_split_003/cm165_2a.cif: F6A F 0.5920(18) 0.248(2) 0.0578(10) 0.137(13) Uani 0.35 1 d PD A 2
./tmp-cif_split_003/cm165_2a.cif: F7 F 0.5082(3) 0.7219(3) 0.02430(10) 0.0411(6) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F8 F 0.6570(3) 0.8812(3) 0.05298(9) 0.0378(5) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F9 F 0.5101(3) 0.7685(3) 0.10666(11) 0.0430(6) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C10 C 1.1029(4) 0.8592(4) 0.16391(14) 0.0240(8) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C11 C 1.2261(5) 0.9536(4) 0.15782(16) 0.0257(8) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C12 C 1.3394(5) 0.9673(4) 0.19561(16) 0.0279(9) Uani 1 1 d D . .
./tmp-cif_split_003/cm165_2a.cif: H12A H 1.420(2) 1.0315(19) 0.1907(2) 0.037(6) Uiso 1 1 c RD . .
./tmp-cif_split_003/cm165_2a.cif: C13 C 1.3350(4) 0.8867(5) 0.24093(15) 0.0299(9) Uani 1 1 d . B .
./tmp-cif_split_003/cm165_2a.cif: C14 C 1.2147(5) 0.7955(4) 0.24808(17) 0.0326(9) Uani 1 1 d D . .
./tmp-cif_split_003/cm165_2a.cif: H14A H 1.2106(5) 0.7419(16) 0.2791(9) 0.037(6) Uiso 1 1 c RD . .
./tmp-cif_split_003/cm165_2a.cif: C15 C 1.0999(5) 0.7810(4) 0.21064(16) 0.0274(9) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C16 C 1.2380(5) 1.0513(4) 0.11217(18) 0.0342(9) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: C17 C 1.4585(6) 0.9028(5) 0.28203(18) 0.0435(11) Uani 1 1 d D . .
./tmp-cif_split_003/cm165_2a.cif: C18 C 0.9781(6) 0.6794(5) 0.22722(18) 0.0382(11) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F10 F 1.3651(3) 1.1255(3) 0.11308(11) 0.0563(8) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F11 F 1.2371(3) 0.9860(3) 0.06492(10) 0.0430(6) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F12 F 1.1193(3) 1.1402(2) 0.11088(10) 0.0420(6) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F13 F 1.423(3) 0.841(3) 0.3263(7) 0.132(12) Uani 0.33 1 d PD B 3
./tmp-cif_split_003/cm165_2a.cif: F14 F 1.491(4) 1.0269(14) 0.2954(10) 0.158(14) Uani 0.33 1 d PD B 3
./tmp-cif_split_003/cm165_2a.cif: F15 F 1.580(2) 0.831(3) 0.2742(8) 0.124(13) Uani 0.33 1 d PD B 3
./tmp-cif_split_003/cm165_2a.cif: F13A F 1.5579(8) 1.0029(7) 0.2707(3) 0.0577(17) Uani 0.67 1 d PD B 4
./tmp-cif_split_003/cm165_2a.cif: F14A F 1.5457(10) 0.7937(8) 0.2843(5) 0.083(4) Uani 0.67 1 d PD B 4
./tmp-cif_split_003/cm165_2a.cif: F15A F 1.4018(13) 0.9273(15) 0.3283(3) 0.090(4) Uani 0.67 1 d PD B 4
./tmp-cif_split_003/cm165_2a.cif: F16 F 0.8959(4) 0.7269(4) 0.26739(11) 0.0604(9) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F17 F 1.0432(4) 0.5630(3) 0.24441(16) 0.0761(11) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: F18 F 0.8789(3) 0.6405(3) 0.19057(10) 0.0479(7) Uani 1 1 d . . .
./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_label
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_U_11
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_U_22
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_U_33
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_U_23
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_U_13
./tmp-cif_split_003/cm165_2a.cif: _atom_site_aniso_U_12
./tmp-cif_split_003/cm165_2a.cif: As1 0.02452(18) 0.02336(17) 0.02674(18) -0.00082(17) -0.00151(17) 0.00023(16)
./tmp-cif_split_003/cm165_2a.cif: Cl1 0.0303(6) 0.0583(7) 0.0422(6) -0.0170(5) 0.0005(5) 0.0103(5)
./tmp-cif_split_003/cm165_2a.cif: C1 0.0224(19) 0.028(2) 0.0228(18) -0.0007(15) 0.0032(16) -0.0020(15)
./tmp-cif_split_003/cm165_2a.cif: C2 0.029(2) 0.027(2) 0.0237(19) -0.0047(16) -0.0017(16) -0.0018(16)
./tmp-cif_split_003/cm165_2a.cif: C3 0.034(2) 0.0218(17) 0.0282(19) -0.0020(15) -0.0022(19) 0.0003(18)
./tmp-cif_split_003/cm165_2a.cif: C4 0.034(2) 0.030(2) 0.027(2) -0.0024(16) 0.0007(17) -0.0086(17)
./tmp-cif_split_003/cm165_2a.cif: C5 0.023(2) 0.040(2) 0.028(2) -0.0002(18) 0.0039(17) -0.0109(18)
./tmp-cif_split_003/cm165_2a.cif: C6 0.0209(18) 0.030(2) 0.0232(18) 0.0015(16) 0.0009(15) -0.0001(15)
./tmp-cif_split_003/cm165_2a.cif: C7 0.025(2) 0.032(2) 0.047(3) -0.0107(18) -0.0031(19) 0.0015(17)
./tmp-cif_split_003/cm165_2a.cif: C8 0.046(3) 0.038(3) 0.055(3) -0.003(2) -0.003(3) -0.013(2)
./tmp-cif_split_003/cm165_2a.cif: C9 0.023(2) 0.041(2) 0.034(2) 0.0004(19) -0.0010(17) -0.0005(17)
./tmp-cif_split_003/cm165_2a.cif: F1 0.0261(13) 0.0451(15) 0.0681(19) -0.0279(14) 0.0025(13) 0.0073(12)
./tmp-cif_split_003/cm165_2a.cif: F2 0.0381(15) 0.0453(15) 0.0521(17) -0.0110(13) -0.0197(13) 0.0135(12)
./tmp-cif_split_003/cm165_2a.cif: F3 0.0200(13) 0.0388(14) 0.0500(16) -0.0097(12) 0.0042(11) -0.0042(10)
./tmp-cif_split_003/cm165_2a.cif: F4 0.063(5) 0.042(3) 0.140(8) -0.013(5) -0.054(6) -0.015(4)
./tmp-cif_split_003/cm165_2a.cif: F5 0.112(7) 0.030(3) 0.094(5) 0.010(3) -0.009(5) -0.020(4)
./tmp-cif_split_003/cm165_2a.cif: F6 0.067(6) 0.065(6) 0.156(9) -0.071(6) 0.046(6) -0.028(4)
./tmp-cif_split_003/cm165_2a.cif: F4A 0.16(2) 0.011(5) 0.41(5) 0.014(16) -0.23(3) 0.007(10)
./tmp-cif_split_003/cm165_2a.cif: F5A 0.116(11) 0.040(5) 0.055(6) -0.014(4) 0.006(7) -0.032(7)
./tmp-cif_split_003/cm165_2a.cif: F6A 0.102(15) 0.101(13) 0.21(2) -0.090(16) 0.115(18) -0.091(12)
./tmp-cif_split_003/cm165_2a.cif: F7 0.0281(13) 0.0570(17) 0.0381(14) -0.0016(12) -0.0119(11) 0.0018(11)
./tmp-cif_split_003/cm165_2a.cif: F8 0.0332(13) 0.0353(13) 0.0448(14) 0.0049(12) -0.0069(11) 0.0033(12)
./tmp-cif_split_003/cm165_2a.cif: F9 0.0242(12) 0.0653(17) 0.0397(13) -0.0055(14) 0.0047(12) 0.0082(11)
./tmp-cif_split_003/cm165_2a.cif: C10 0.0253(19) 0.0242(19) 0.0225(17) 0.0008(16) 0.0023(14) -0.0003(16)
./tmp-cif_split_003/cm165_2a.cif: C11 0.025(2) 0.027(2) 0.0242(19) -0.0035(16) 0.0031(16) 0.0008(16)
./tmp-cif_split_003/cm165_2a.cif: C12 0.025(2) 0.029(2) 0.029(2) -0.0049(16) 0.0007(17) -0.0015(16)
./tmp-cif_split_003/cm165_2a.cif: C13 0.029(2) 0.035(2) 0.0256(19) -0.0076(17) -0.0021(16) 0.0067(18)
./tmp-cif_split_003/cm165_2a.cif: C14 0.036(2) 0.033(2) 0.028(2) 0.0040(17) 0.0034(18) 0.0087(18)
./tmp-cif_split_003/cm165_2a.cif: C15 0.031(2) 0.0238(19) 0.028(2) 0.0027(16) 0.0058(16) 0.0046(15)
./tmp-cif_split_003/cm165_2a.cif: C16 0.034(2) 0.037(2) 0.031(2) 0.0042(19) 0.000(2) -0.0102(18)
./tmp-cif_split_003/cm165_2a.cif: C17 0.040(3) 0.056(3) 0.035(2) -0.004(2) -0.009(2) 0.009(2)
./tmp-cif_split_003/cm165_2a.cif: C18 0.042(3) 0.034(2) 0.038(2) 0.0083(19) 0.000(2) -0.0071(19)
./tmp-cif_split_003/cm165_2a.cif: F10 0.0513(16) 0.0629(18) 0.0549(17) 0.0187(18) -0.0087(14) -0.0342(16)
./tmp-cif_split_003/cm165_2a.cif: F11 0.0523(17) 0.0488(15) 0.0278(13) 0.0019(11) 0.0034(12) -0.0069(13)
./tmp-cif_split_003/cm165_2a.cif: F12 0.0542(14) 0.0275(12) 0.0445(14) 0.0097(13) -0.0044(13) 0.0033(11)
./tmp-cif_split_003/cm165_2a.cif: F13 0.077(17) 0.29(4) 0.034(10) 0.035(15) -0.028(10) -0.03(2)
./tmp-cif_split_003/cm165_2a.cif: F14 0.26(3) 0.069(9) 0.14(2) -0.052(13) -0.16(2) 0.032(16)
./tmp-cif_split_003/cm165_2a.cif: F15 0.036(8) 0.28(4) 0.054(8) -0.062(15) 0.001(6) 0.039(13)
./tmp-cif_split_003/cm165_2a.cif: F13A 0.057(3) 0.069(5) 0.047(3) 0.000(3) -0.023(3) -0.029(3)
./tmp-cif_split_003/cm165_2a.cif: F14A 0.073(7) 0.049(3) 0.127(10) -0.009(4) -0.067(6) 0.025(3)
./tmp-cif_split_003/cm165_2a.cif: F15A 0.042(4) 0.205(11) 0.024(4) -0.034(5) 0.000(3) 0.010(6)
./tmp-cif_split_003/cm165_2a.cif: F16 0.060(2) 0.085(2) 0.0359(16) -0.0056(15) 0.0193(14) -0.0295(17)
./tmp-cif_split_003/cm165_2a.cif: F17 0.061(2) 0.0462(18) 0.121(3) 0.0457(19) -0.010(2) -0.0087(16)
./tmp-cif_split_003/cm165_2a.cif: F18 0.0532(16) 0.0553(17) 0.0352(13) 0.0072(13) -0.0025(12) -0.0257(15)
./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _geom_bond_atom_site_label_1
./tmp-cif_split_003/cm165_2a.cif: _geom_bond_atom_site_label_2
./tmp-cif_split_003/cm165_2a.cif: _geom_bond_distance
./tmp-cif_split_003/cm165_2a.cif: _geom_bond_site_symmetry_2
./tmp-cif_split_003/cm165_2a.cif: _geom_bond_publ_flag
./tmp-cif_split_003/cm165_2a.cif: As1 Cl1 2.1920(12) . ?
./tmp-cif_split_003/cm165_2a.cif: As1 C1 2.023(4) . ?
./tmp-cif_split_003/cm165_2a.cif: As1 C10 2.016(4) . ?
./tmp-cif_split_003/cm165_2a.cif: C1 C6 1.407(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C1 C2 1.410(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C2 C3 1.386(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C2 C7 1.499(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C3 C4 1.378(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C3 H3A 0.9476 . ?
./tmp-cif_split_003/cm165_2a.cif: C4 C5 1.379(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C4 C8 1.505(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C5 C6 1.394(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C5 H5A 0.9476 . ?
./tmp-cif_split_003/cm165_2a.cif: C6 C9 1.504(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C7 F2 1.330(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C7 F1 1.345(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C7 F3 1.346(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C8 F4A 1.243(11) . ?
./tmp-cif_split_003/cm165_2a.cif: C8 F4 1.264(7) . ?
./tmp-cif_split_003/cm165_2a.cif: C8 F6A 1.265(12) . ?
./tmp-cif_split_003/cm165_2a.cif: C8 F6 1.288(8) . ?
./tmp-cif_split_003/cm165_2a.cif: C8 F5 1.348(7) . ?
./tmp-cif_split_003/cm165_2a.cif: C8 F5A 1.372(9) . ?
./tmp-cif_split_003/cm165_2a.cif: C9 F8 1.337(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C9 F9 1.341(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C9 F7 1.349(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C10 C15 1.409(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C10 C11 1.415(5) . ?
./tmp-cif_split_003/cm165_2a.cif: C11 C12 1.379(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C11 C16 1.501(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C12 C13 1.392(6) . ?
./tmp-cif_split_003/cm165_2a.cif: C12 H12A 0.9458 . ?
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./tmp-cif_split_003/cm165_2a.cif: loop_
./tmp-cif_split_003/cm165_2a.cif: _geom_angle_atom_site_label_1
./tmp-cif_split_003/cm165_2a.cif: _geom_angle_atom_site_label_2
./tmp-cif_split_003/cm165_2a.cif: _geom_angle_atom_site_label_3
./tmp-cif_split_003/cm165_2a.cif: _geom_angle
./tmp-cif_split_003/cm165_2a.cif: _geom_angle_site_symmetry_1
./tmp-cif_split_003/cm165_2a.cif: _geom_angle_site_symmetry_3
./tmp-cif_split_003/cm165_2a.cif: _geom_angle_publ_flag
./tmp-cif_split_003/cm165_2a.cif: C1 As1 Cl1 100.57(12) . . ?
./tmp-cif_split_003/cm165_2a.cif: C10 As1 Cl1 92.04(11) . . ?
./tmp-cif_split_003/cm165_2a.cif: C10 As1 C1 107.53(16) . . ?
./tmp-cif_split_003/cm165_2a.cif: C6 C1 C2 116.6(4) . . ?
./tmp-cif_split_003/cm165_2a.cif: C6 C1 As1 119.8(3) . . ?
./tmp-cif_split_003/cm165_2a.cif: C2 C1 As1 123.3(3) . . ?
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./tmp-cif_split_003/cm165_2a.cif: C4 C3 C2 120.0(4) . . ?
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./tmp-cif_split_003/cm165_2a.cif: C3 C4 C5 120.2(4) . . ?
./tmp-cif_split_003/cm165_2a.cif: C3 C4 C8 119.9(4) . . ?
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./tmp-cif_split_003/cm165_2a.cif: F9 C9 C6 112.9(3) . . ?
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./tmp-cif_split_003/cm165_2a.cif: C15 C10 C11 117.0(3) . . ?
./tmp-cif_split_003/cm165_2a.cif: C15 C10 As1 128.8(3) . . ?
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./tmp-cif_split_003/cm165_2a.cif: C12 C11 C10 121.5(4) . . ?
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./tmp-cif_split_003/cm165_2a.cif: F17 C18 C15 110.4(4) . . ?
