#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/01/4100143.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_4100143
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0435182
_journal_year                    2005
_chemical_formula_moiety         'C10 H8 Br2 Cl2 N2 Pt'
_chemical_formula_sum            'C10 H8 Br2 Cl2 N2 Pt'
_chemical_formula_weight         581.99
_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                89.126(3)
_cell_angle_beta                 82.341(3)
_cell_angle_gamma                78.440(3)
_cell_formula_units_Z            1
_cell_length_a                   3.9673(7)
_cell_length_b                   8.3332(15)
_cell_length_c                   10.1785(17)
_cell_measurement_temperature    150(2)
_cell_volume                     326.71(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.958
_cod_database_code               4100143
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.0000 0.0000 0.0000 0.01371(14) Uani 1 2 d S . .
Cl1 Cl 0.3638(5) -0.1813(2) -0.15119(17) 0.0178(4) Uani 1 1 d . . .
N1 N 0.0341(16) -0.1713(8) 0.1389(6) 0.0160(13) Uani 1 1 d . . .
C2 C 0.1379(18) -0.1437(10) 0.2578(7) 0.0165(15) Uani 1 1 d . . .
H2 H 0.1880 -0.0400 0.2757 0.020 Uiso 1 1 calc R . .
C3 C 0.1710(18) -0.2648(10) 0.3525(7) 0.0150(15) Uani 1 1 d . . .
Br1 Br 0.29210(19) -0.21783(10) 0.51885(7) 0.01954(19) Uani 1 1 d . . .
C4 C 0.114(2) -0.4190(10) 0.3257(7) 0.0191(16) Uani 1 1 d . . .
H4 H 0.1511 -0.5045 0.3882 0.023 Uiso 1 1 calc R . .
C5 C 0.002(2) -0.4469(10) 0.2059(7) 0.0182(15) Uani 1 1 d . . .
H5 H -0.0501 -0.5497 0.1865 0.022 Uiso 1 1 calc R . .
C6 C -0.031(2) -0.3209(10) 0.1159(7) 0.0175(15) Uani 1 1 d . . .
H6 H -0.1044 -0.3402 0.0334 0.021 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 1.992(6) 2 ?
Pt1 N1 1.992(6) . ?
Pt1 Cl1 2.3106(18) . ?
Pt1 Cl1 2.3106(18) 2 ?
N1 C6 1.353(10) . ?
N1 C2 1.367(9) . ?
C2 C3 1.384(10) . ?
C3 C4 1.386(11) . ?
C3 Br1 1.887(7) . ?
C4 C5 1.390(10) . ?
C5 C6 1.381(10) . ?
