#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:40:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178747 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/01/4100144.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_4100144
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0435182
_journal_year                    2005
_chemical_formula_moiety         'C10 H8 Cl2 I2 N2 Pt'
_chemical_formula_sum            'C10 H8 Cl2 I2 N2 Pt'
_chemical_formula_weight         675.97
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 126.464(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.414(5)
_cell_length_b                   4.2034(9)
_cell_length_c                   16.357(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1405.3(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    3.195
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100144
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.0000 0.0000 0.0000 0.01455(12) Uani 1 2 d S . .
Cl1 Cl -0.07369(8) -0.1347(4) 0.03265(13) 0.0211(3) Uani 1 1 d . . .
N1 N 0.0681(3) 0.0897(14) 0.1493(4) 0.0165(12) Uani 1 1 d . . .
C2 C 0.1287(3) -0.0342(15) 0.2006(5) 0.0162(13) Uani 1 1 d . . .
H2 H 0.1397 -0.1639 0.1652 0.019 Uiso 1 1 calc R . .
C3 C 0.1754(3) 0.0215(15) 0.3031(5) 0.0160(13) Uani 1 1 d . . .
I1 I 0.27006(2) -0.16451(11) 0.38014(3) 0.01774(13) Uani 1 1 d . . .
C4 C 0.1591(4) 0.2011(17) 0.3570(6) 0.0221(15) Uani 1 1 d . . .
H4 H 0.1894 0.2316 0.4283 0.026 Uiso 1 1 calc R . .
C5 C 0.0971(3) 0.3327(17) 0.3026(5) 0.0192(14) Uani 1 1 d . . .
H5 H 0.0848 0.4612 0.3365 0.023 Uiso 1 1 calc R . .
C6 C 0.0527(3) 0.2785(17) 0.1988(5) 0.0203(14) Uani 1 1 d . . .
H6 H 0.0108 0.3761 0.1621 0.024 Uiso 1 1 calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 2.020(6) 5 ?
Pt1 N1 2.020(6) . ?
Pt1 Cl1 2.3025(17) . ?
Pt1 Cl1 2.3025(17) 5 ?
N1 C2 1.345(9) . ?
N1 C6 1.348(9) . ?
C2 C3 1.382(9) . ?
C3 C4 1.397(9) . ?
C3 I1 2.094(7) . ?
C4 C5 1.383(10) . ?
C5 C6 1.389(10) . ?
