##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     'CrysAlisPro, Oxford Diffraction Ltd.'
_journal_date_recd_electronic     2011-05-30
_journal_date_accepted     2011-06-01
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      7
_journal_page_first     m882
_journal_page_last     m882
_journal_paper_category     QM
_journal_coeditor_code     ZQ2107
_publ_contact_author_name     'Dr Xia Wang'
_publ_contact_author_address
;
 Pharmacy College
 Henan University of Traditional Chinese Medicine
 Zhengzhou 450008
 People's Republic of China
;
_publ_contact_author_email     'wangxiawx83@yahoo.com.cn'
_publ_contact_author_fax     '86 371 65962746'
_publ_contact_author_phone     '86 371 65962746'
_publ_section_title
;\
Bis{\m-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}\
bis(iodidocadmium)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Xia Wang' ?
;
Pharmacy College
Henan University of Traditional Chinese Medicine
Zhengzhou 450008
People's Republic of China
;
    'Jun-long Niu' ?
;
Department of Chemistry
Henan Key Laboratory of Chemical Biology and Organic Chemistry
Zhengzhou University,
Zhengzhou 450052
People's Republic of China
;
data_I
_audit_creation_method
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_chemical_name_systematic
;
Bis{\m-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-
benzotriazole}bis(iodidocadmium)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C24 H26 Cd2 I4 N10'
_chemical_formula_sum     'C24 H26 Cd2 I4 N10'
_chemical_formula_iupac     '[Cd2 I4 (C12 H13 N5)2]'
_chemical_formula_weight     1186.95
_chemical_melting_point     ?
_space_group_crystal_system     triclinic
_space_group_name_H-M_alt     'P -1'
_space_group_name_Hall     '-P 1'
loop_
    _space_group_symop_id
    _space_group_symop_operation_xyz
    1 'x, y, z'
    2 '-x, -y, -z'
_cell_length_a     7.8323(4)
_cell_length_b     10.0657(6)
_cell_length_c     11.2335(7)
_cell_angle_alpha     78.849(5)
_cell_angle_beta     86.020(5)
_cell_angle_gamma     77.538(5)
_cell_volume     848.08(9)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     6849
_cell_measurement_theta_min     3.0307
_cell_measurement_theta_max     26.3067
_cell_measurement_temperature     290(2)
_exptl_crystal_description     prismatic
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.2489
_exptl_crystal_size_mid     0.2119
_exptl_crystal_size_min     0.1482
_exptl_crystal_density_diffrn     2.324
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     548
_exptl_absorpt_coefficient_mu     4.925
_exptl_absorpt_correction_type     gaussian
_exptl_absorpt_process_details
;
[numerical absorption correction based on Gaussian integration over
a multifaceted crystal model (CrysAlis PRO; Agilent, 2010)]
;
_exptl_absorpt_correction_T_min     0.287
_exptl_absorpt_correction_T_max     0.487
_exptl_special_details
;
;
_diffrn_ambient_temperature     290(2)
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_source     'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Agilent Xcalibur Eos Gemini'
_diffrn_measurement_method     \w
_diffrn_detector_area_resol_mean     16.2312
_diffrn_reflns_number     13998
_diffrn_reflns_av_R_equivalents     0.0313
_diffrn_reflns_theta_min     3.0307
_diffrn_reflns_theta_max     26.3067
_diffrn_reflns_theta_full     26.36
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of <i>F</i>^2^ against ALL reflections. The weighted <i>R</i>-factor
<i>wR</i> and goodness of fit <i>S</i> are based on <i>F</i>^2^, conventional
<i>R</i>-factors <i>R</i> are based on <i>F</i>, with <i>F</i> set to zero for
negative <i>F</i>^2^. The threshold expression of <i>F</i>^2^ >
\s(<i>F</i>^2^) is used only for calculating <i>R</i>-factors(gt) <i>etc</i>.
and is not relevant to the choice of reflections for refinement.
<i>R</i>-factors based on <i>F</i>^2^ are statistically about twice as large
as those based on <i>F</i>, and <i>R</i>- factors based on ALL data will be
even larger.
;
_reflns_number_total     3462
_reflns_number_gt     2961
_reflns_threshold_expression     I>2\s(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0334
_refine_ls_R_factor_gt     0.0265
_refine_ls_wR_factor_gt     0.0581
_refine_ls_wR_factor_ref     0.0613
_refine_ls_goodness_of_fit_ref     1.075
_refine_ls_restrained_S_all     1.075
_refine_ls_number_reflns     3462
_refine_ls_number_parameters     182
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+0.3471P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.821
_refine_diff_density_min     -1.049
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cd' 'Cd' -0.8075 1.2024
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'I' 'I' -0.4742 1.8119
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2010)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2010)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2010)
;
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>, 2009) and publCIF (Westrip,
2010)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    I I1 0.49488(4) 1.31204(3) 0.40337(2) 0.04897(9) Uani d . 1 1 . .
    I I2 -0.04748(4) 1.42680(3) 0.22432(3) 0.06153(11) Uani d . 1 1 . .
    Cd Cd1 0.27758(4) 1.26989(3) 0.24333(2) 0.03657(9) Uani d . 1 1 . .
    N N1 0.2561(4) 1.0409(3) 0.2834(3) 0.0385(7) Uani d . 1 1 . .
    N N2 0.4017(4) 0.9559(3) 0.2627(3) 0.0389(7) Uani d . 1 1 . .
    N N3 0.3713(4) 0.8276(3) 0.2862(3) 0.0350(7) Uani d . 1 1 . .
    N N4 0.5058(4) 0.7062(3) 0.1294(3) 0.0354(7) Uani d . 1 1 . .
    N N5 0.5744(4) 0.7249(3) -0.0641(3) 0.0370(7) Uani d . 1 1 . .
    C C1 0.2006(5) 0.8280(4) 0.3244(3) 0.0343(8) Uani d . 1 1 . .
    C C2 0.1274(5) 0.9679(4) 0.3215(3) 0.0356(8) Uani d . 1 1 . .
    C C3 -0.0491(5) 1.0113(4) 0.3544(4) 0.0451(10) Uani d . 1 1 . .
    H H3 -0.1003 1.1043 0.3512 0.054 Uiso calc R 1 1 . .
    C C4 -0.1422(6) 0.9082(5) 0.3916(4) 0.0514(11) Uani d . 1 1 . .
    H H4 -0.2598 0.9322 0.4139 0.062 Uiso calc R 1 1 . .
    C C5 -0.0643(6) 0.7676(5) 0.3966(4) 0.0525(11) Uani d . 1 1 . .
    H H5 -0.1322 0.7018 0.4236 0.063 Uiso calc R 1 1 . .
    C C6 0.1076(6) 0.7234(4) 0.3635(4) 0.0469(10) Uani d . 1 1 . .
    H H6 0.1583 0.6303 0.3670 0.056 Uiso calc R 1 1 . .
    C C7 0.5056(5) 0.7136(4) 0.2573(3) 0.0421(9) Uani d . 1 1 . .
    H H7A 0.4851 0.6274 0.3059 0.051 Uiso calc R 1 1 . .
    H H7B 0.6192 0.7258 0.2772 0.051 Uiso calc R 1 1 . .
    C C8 0.3756(5) 0.6688(4) 0.0752(4) 0.0432(9) Uani d . 1 1 . .
    H H8 0.2762 0.6414 0.1132 0.052 Uiso calc R 1 1 . .
    C C9 0.4206(5) 0.6798(4) -0.0435(4) 0.0440(9) Uani d . 1 1 . .
    H H9 0.3570 0.6598 -0.1023 0.053 Uiso calc R 1 1 . .
    C C10 0.6246(5) 0.7411(3) 0.0414(3) 0.0330(8) Uani d . 1 1 . .
    C C11 0.7851(5) 0.7927(4) 0.0590(4) 0.0442(9) Uani d . 1 1 . .
    H H11B 0.8741 0.7642 -0.0007 0.053 Uiso calc R 1 1 . .
    H H11A 0.8297 0.7494 0.1388 0.053 Uiso calc R 1 1 . .
    C C12 0.7549(6) 0.9494(4) 0.0479(4) 0.0564(11) Uani d . 1 1 . .
    H H12B 0.7143 0.9933 -0.0316 0.085 Uiso calc R 1 1 . .
    H H12C 0.8626 0.9748 0.0607 0.085 Uiso calc R 1 1 . .
    H H12A 0.6687 0.9786 0.1078 0.085 Uiso calc R 1 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    I1 0.04834(17) 0.06438(19) 0.03873(15) -0.02051(14) -0.00434(12)
                                                                    -0.00950(13)
    I2 0.04034(16) 0.04634(17) 0.0956(3) -0.00025(13) -0.00964(16) -0.01437(16)
    Cd1 0.03734(16) 0.03522(15) 0.03821(16) -0.00826(12) 0.00067(12)
                                                                    -0.00907(12)
    N1 0.0398(18) 0.0340(17) 0.0428(18) -0.0096(14) 0.0045(15) -0.0097(14)
    N2 0.0433(18) 0.0328(17) 0.0398(17) -0.0086(14) 0.0052(15) -0.0065(14)
    N3 0.0410(17) 0.0326(16) 0.0298(15) -0.0068(14) 0.0026(13) -0.0037(12)
    N4 0.0390(17) 0.0341(16) 0.0343(16) -0.0070(14) 0.0003(14) -0.0103(13)
    N5 0.0422(18) 0.0361(17) 0.0344(17) -0.0120(14) 0.0013(14) -0.0074(13)
    C1 0.039(2) 0.038(2) 0.0278(18) -0.0134(17) -0.0008(16) -0.0064(15)
    C2 0.039(2) 0.040(2) 0.0297(18) -0.0114(17) 0.0007(16) -0.0074(16)
    C3 0.040(2) 0.050(2) 0.047(2) -0.0078(19) 0.0020(19) -0.0138(19)
    C4 0.038(2) 0.071(3) 0.049(2) -0.019(2) 0.0026(19) -0.015(2)
    C5 0.053(3) 0.061(3) 0.053(3) -0.036(2) 0.004(2) -0.007(2)
    C6 0.058(3) 0.042(2) 0.045(2) -0.020(2) 0.003(2) -0.0083(18)
    C7 0.046(2) 0.038(2) 0.038(2) 0.0005(18) -0.0032(18) -0.0041(17)
    C8 0.042(2) 0.042(2) 0.050(2) -0.0147(18) 0.0083(19) -0.0142(19)
    C9 0.044(2) 0.047(2) 0.049(2) -0.0176(19) 0.0011(19) -0.0195(19)
    C10 0.0353(19) 0.0265(17) 0.037(2) -0.0068(15) 0.0012(16) -0.0058(15)
    C11 0.039(2) 0.051(2) 0.046(2) -0.0116(19) -0.0028(18) -0.0127(19)
    C12 0.055(3) 0.059(3) 0.062(3) -0.028(2) -0.001(2) -0.011(2)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    I1 Cd1 . 2.7094(4) ?
    I2 Cd1 . 2.6892(4) ?
    Cd1 N1 . 2.302(3) ?
    Cd1 N5 2_675 2.250(3) ?
    N1 N2 . 1.306(4) ?
    N1 C2 . 1.371(5) ?
    N2 N3 . 1.337(4) ?
    N3 C1 . 1.375(5) ?
    N3 C7 . 1.451(5) ?
    N4 C7 . 1.452(5) ?
    N4 C8 . 1.376(5) ?
    N4 C10 . 1.359(5) ?
    N5 Cd1 2_675 2.250(3) ?
    N5 C9 . 1.367(5) ?
    N5 C10 . 1.323(4) ?
    C1 C2 . 1.396(5) ?
    C1 C6 . 1.393(5) ?
    C2 C3 . 1.403(5) ?
    C3 H3 . 0.9300 ?
    C3 C4 . 1.379(6) ?
    C4 H4 . 0.9300 ?
    C4 C5 . 1.406(6) ?
    C5 H5 . 0.9300 ?
    C5 C6 . 1.373(6) ?
    C6 H6 . 0.9300 ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 H8 . 0.9300 ?
    C8 C9 . 1.345(5) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.499(5) ?
    C11 H11B . 0.9700 ?
    C11 H11A . 0.9700 ?
    C11 C12 . 1.525(6) ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C12 H12A . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    I2 Cd1 I1 . . 118.809(14) ?
    N1 Cd1 I1 . . 109.18(8) ?
    N1 Cd1 I2 . . 108.30(8) ?
    N1 N2 N3 . . 107.9(3) ?
    N1 C2 C1 . . 107.6(3) ?
    N1 C2 C3 . . 131.4(4) ?
    N2 N1 Cd1 . . 113.7(2) ?
    N2 N1 C2 . . 109.7(3) ?
    N2 N3 C1 . . 111.1(3) ?
    N2 N3 C7 . . 119.6(3) ?
    N3 C1 C2 . . 103.7(3) ?
    N3 C1 C6 . . 133.2(4) ?
    N3 C7 N4 . . 110.9(3) ?
    N3 C7 H7A . . 109.5 ?
    N3 C7 H7B . . 109.5 ?
    N4 C7 H7A . . 109.5 ?
    N4 C7 H7B . . 109.5 ?
    N4 C8 H8 . . 126.8 ?
    N4 C10 C11 . . 126.0(3) ?
    N5 Cd1 I1 2_675 . 106.59(8) ?
    N5 Cd1 I2 2_675 . 112.86(8) ?
    N5 Cd1 N1 2_675 . 99.31(11) ?
    N5 C9 H9 . . 125.4 ?
    N5 C10 N4 . . 109.1(3) ?
    N5 C10 C11 . . 124.9(3) ?
    C1 N3 C7 . . 128.9(3) ?
    C1 C2 C3 . . 121.0(4) ?
    C1 C6 H6 . . 122.4 ?
    C2 N1 Cd1 . . 136.6(2) ?
    C2 C3 H3 . . 121.9 ?
    C3 C4 H4 . . 119.1 ?
    C3 C4 C5 . . 121.9(4) ?
    C4 C3 C2 . . 116.1(4) ?
    C4 C3 H3 . . 121.9 ?
    C4 C5 H5 . . 118.6 ?
    C5 C4 H4 . . 119.1 ?
    C5 C6 C1 . . 115.2(4) ?
    C5 C6 H6 . . 122.4 ?
    C6 C1 C2 . . 123.0(4) ?
    C6 C5 C4 . . 122.8(4) ?
    C6 C5 H5 . . 118.6 ?
    H7A C7 H7B . . 108.0 ?
    C8 N4 C7 . . 124.5(3) ?
    C8 C9 N5 . . 109.3(4) ?
    C8 C9 H9 . . 125.4 ?
    C9 N5 Cd1 . 2_675 122.4(3) ?
    C9 C8 N4 . . 106.4(4) ?
    C9 C8 H8 . . 126.8 ?
    C10 N4 C7 . . 127.6(3) ?
    C10 N4 C8 . . 107.8(3) ?
    C10 N5 Cd1 . 2_675 129.4(3) ?
    C10 N5 C9 . . 107.5(3) ?
    C10 C11 H11B . . 108.7 ?
    C10 C11 H11A . . 108.7 ?
    C10 C11 C12 . . 114.1(3) ?
    C11 C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    C11 C12 H12A . . 109.5 ?
    H11B C11 H11A . . 107.6 ?
    C12 C11 H11B . . 108.7 ?
    C12 C11 H11A . . 108.7 ?
    H12B C12 H12C . . 109.5 ?
    H12B C12 H12A . . 109.5 ?
    H12C C12 H12A . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    I1 Cd1 N1 N2 . . . . -66.6(2) ?
    I1 Cd1 N1 C2 . . . . 115.3(3) ?
    I2 Cd1 N1 N2 . . . . 162.7(2) ?
    I2 Cd1 N1 C2 . . . . -15.4(4) ?
    Cd1 N1 N2 N3 . . . . -178.4(2) ?
    Cd1 N1 C2 C1 . . . . 178.3(3) ?
    Cd1 N1 C2 C3 . . . . -1.7(6) ?
    Cd1 N5 C9 C8 2_675 . . . 171.0(2) ?
    Cd1 N5 C10 N4 2_675 . . . -169.5(2) ?
    Cd1 N5 C10 C11 2_675 . . . 11.7(5) ?
    N1 N2 N3 C1 . . . . -0.5(4) ?
    N1 N2 N3 C7 . . . . 172.9(3) ?
    N1 C2 C3 C4 . . . . -178.6(4) ?
    N2 N1 C2 C1 . . . . 0.1(4) ?
    N2 N1 C2 C3 . . . . -179.9(4) ?
    N2 N3 C1 C2 . . . . 0.5(4) ?
    N2 N3 C1 C6 . . . . -177.1(4) ?
    N2 N3 C7 N4 . . . . -81.1(4) ?
    N3 C1 C2 N1 . . . . -0.4(4) ?
    N3 C1 C2 C3 . . . . 179.6(3) ?
    N3 C1 C6 C5 . . . . 178.9(4) ?
    N4 C8 C9 N5 . . . . -0.8(4) ?
    N4 C10 C11 C12 . . . . -88.4(5) ?
    N5 Cd1 N1 N2 2_675 . . . 44.7(3) ?
    N5 Cd1 N1 C2 2_675 . . . -133.4(4) ?
    N5 C10 C11 C12 . . . . 90.2(5) ?
    C1 N3 C7 N4 . . . . 90.9(4) ?
    C1 C2 C3 C4 . . . . 1.4(6) ?
    C2 N1 N2 N3 . . . . 0.2(4) ?
    C2 C1 C6 C5 . . . . 1.6(6) ?
    C2 C3 C4 C5 . . . . 0.2(6) ?
    C3 C4 C5 C6 . . . . -1.0(7) ?
    C4 C5 C6 C1 . . . . 0.1(6) ?
    C6 C1 C2 N1 . . . . 177.6(3) ?
    C6 C1 C2 C3 . . . . -2.4(6) ?
    C7 N3 C1 C2 . . . . -172.0(3) ?
    C7 N3 C1 C6 . . . . 10.3(7) ?
    C7 N4 C8 C9 . . . . 177.7(3) ?
    C7 N4 C10 N5 . . . . -177.4(3) ?
    C7 N4 C10 C11 . . . . 1.3(6) ?
    C8 N4 C7 N3 . . . . -69.3(5) ?
    C8 N4 C10 N5 . . . . -0.9(4) ?
    C8 N4 C10 C11 . . . . 177.9(3) ?
    C9 N5 C10 N4 . . . . 0.4(4) ?
    C9 N5 C10 C11 . . . . -178.4(3) ?
    C10 N4 C7 N3 . . . . 106.8(4) ?
    C10 N4 C8 C9 . . . . 1.0(4) ?
    C10 N5 C9 C8 . . . . 0.3(4) ?

