#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/01/4100141.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_4100141
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0435182
_journal_year                    2005
_chemical_formula_moiety         'C10 H8 Cl4 N2 Pt'
_chemical_formula_sum            'C10 H8 Cl4 N2 Pt'
_chemical_formula_weight         493.07
_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                71.147(2)
_cell_angle_beta                 79.634(2)
_cell_angle_gamma                85.992(2)
_cell_formula_units_Z            1
_cell_length_a                   5.5441(7)
_cell_length_b                   7.1432(9)
_cell_length_c                   8.6648(11)
_cell_measurement_temperature    150(2)
_cell_volume                     319.41(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.563
_cod_database_code               4100141
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 0.01521(7) Uani 1 2 d S . .
Cl1 Cl 0.29692(18) -0.23074(14) -0.55824(11) 0.02578(19) Uani 1 1 d . . .
Cl2 Cl 0.08013(16) 0.30667(13) -0.19277(11) 0.02246(18) Uani 1 1 d . . .
N1 N 0.2535(5) -0.1248(4) -0.1357(3) 0.0168(5) Uani 1 1 d . . .
C2 C 0.2144(6) -0.1264(5) -0.2849(4) 0.0186(6) Uani 1 1 d . . .
H2 H 0.0746 -0.0597 -0.3276 0.022 Uiso 1 1 calc R . .
C3 C 0.3737(7) -0.2230(5) -0.3759(4) 0.0197(7) Uani 1 1 d . . .
C4 C 0.5848(7) -0.3144(5) -0.3204(5) 0.0213(7) Uani 1 1 d . . .
H4 H 0.6972 -0.3791 -0.3836 0.026 Uiso 1 1 calc R . .
C5 C 0.6259(6) -0.3077(5) -0.1678(5) 0.0213(7) Uani 1 1 d . . .
H5 H 0.7697 -0.3668 -0.1260 0.026 Uiso 1 1 calc R . .
C6 C 0.4576(6) -0.2154(5) -0.0784(4) 0.0195(7) Uani 1 1 d . . .
H6 H 0.4851 -0.2150 0.0266 0.023 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 2.015(3) 2 ?
Pt1 N1 2.015(3) . ?
Pt1 Cl2 2.3001(9) . ?
Pt1 Cl2 2.3001(9) 2 ?
Cl1 C3 1.727(4) . ?
N1 C2 1.353(4) . ?
N1 C6 1.355(5) . ?
C2 C3 1.376(5) . ?
C3 C4 1.386(5) . ?
C4 C5 1.398(5) . ?
C5 C6 1.375(5) . ?
