#------------------------------------------------------------------------------
#$Date: 2012-04-07 11:34:04 +0300 (Sat, 07 Apr 2012) $
#$Revision: 51485 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/68/1506846.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1506846
loop_
_publ_author_name
'Haskins-Glusac, Ksenija'
'Ghiviriga, Ion'
'Abboud, Khalil A.'
'Schanze, Kirk S.'
_publ_section_title
;
 Photophysics and Photochemistry of Stilbene-Containing Platinum
 Acetylides
;
_journal_issue                   16
_journal_name_full               'The Journal of Physical Chemistry B'
_journal_page_first              4969
_journal_volume                  108
_journal_year                    2004
_chemical_formula_sum            'C56 H76 P2 Pt'
_chemical_formula_weight         1006.20
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.670(1)
_cell_angle_beta                 109.882(1)
_cell_angle_gamma                95.533(1)
_cell_formula_units_Z            1
_cell_length_a                   10.0075(5)
_cell_length_b                   10.7197(6)
_cell_length_c                   12.8122(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1245.28(12)
_cod_original_cell_volume        1245.3(1)
_cod_database_code               1506846
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
H4A H 0.1855 -0.8892 -0.3080 0.033 Uiso 1 1 calc R
C5\ C 0.3441(4) -0.7581(3) -0.3112(3) 0.0279(6) Uani 1 1 d .
H5\A H 0.3178 -0.7829 -0.3920 0.034 Uiso 1 1 calc R
C6' C 0.4614(3) -0.6586(3) -0.2455(3) 0.0247(6) Uani 1 1 d .
C7 C 0.4983(4) -0.6253(3) -0.1262(3) 0.0276(6) Uani 1 1 d .
H7A H 0.5779 -0.5581 -0.0794 0.033 Uiso 1 1 calc R
C8" C 0.4193(4) -0.6898(3) -0.0755(3) 0.0264(6) Uani 1 1 d .
H8A H 0.4472 -0.6664 0.0056 0.032 Uiso 1 1 calc R
C9 C 0.5406(4) -0.5948(3) -0.3044(3) 0.0272(6) Uani 1 1 d .
H9A H 0.5139 -0.6318 -0.3842 0.033 Uiso 1 1 calc R
