#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/01/4100140.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_4100140
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0435182
_journal_year                    2005
_chemical_formula_moiety         'C10 H8 Cl2 F2 N2 Pt'
_chemical_formula_sum            'C10 H8 Cl2 F2 N2 Pt'
_chemical_formula_weight         460.17
_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                64.148(3)
_cell_angle_beta                 63.131(3)
_cell_angle_gamma                81.167(4)
_cell_formula_units_Z            1
_cell_length_a                   6.9562(4)
_cell_length_b                   7.0192(4)
_cell_length_c                   7.6303(4)
_cell_measurement_temperature    150(2)
_cell_volume                     298.64(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    2.559
_cod_database_code               4100140
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 0.01475(6) Uani 1 2 d S . .
Cl1 Cl 0.12951(13) 0.13428(12) 0.15504(12) 0.02224(15) Uani 1 1 d . . .
N1 N 0.1532(4) 0.2441(4) -0.2887(4) 0.0166(5) Uani 1 1 d . . .
C2 C 0.2909(5) 0.2063(5) -0.4619(5) 0.0200(6) Uani 1 1 d . . .
H2 H 0.3120 0.0644 -0.4483 0.024 Uiso 1 1 calc R . .
C3 C 0.4009(5) 0.3709(5) -0.6578(5) 0.0222(6) Uani 1 1 d . . .
F1 F 0.5447(3) 0.3220(4) -0.8211(3) 0.0323(5) Uani 1 1 d . . .
C4 C 0.3696(5) 0.5806(5) -0.6884(5) 0.0230(6) Uani 1 1 d . . .
H4 H 0.4437 0.6941 -0.8249 0.028 Uiso 1 1 calc R . .
C5 C 0.2242(5) 0.6161(5) -0.5092(5) 0.0219(6) Uani 1 1 d . . .
H5 H 0.1956 0.7571 -0.5219 0.026 Uiso 1 1 calc R . .
C6 C 0.1209(5) 0.4474(5) -0.3125(5) 0.0191(6) Uani 1 1 d . . .
H6 H 0.0246 0.4748 -0.1907 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 2.018(2) 2 ?
Pt1 N1 2.018(2) . ?
Pt1 Cl1 2.3013(7) . ?
Pt1 Cl1 2.3013(7) 2 ?
N1 C2 1.348(4) . ?
N1 C6 1.353(4) . ?
C2 C3 1.374(4) . ?
C3 F1 1.346(4) . ?
C3 C4 1.384(5) . ?
C4 C5 1.387(5) . ?
C5 C6 1.381(4) . ?
