#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/04/7100452.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_7100452
loop_
_publ_author_name
'A. Orpen'
'Christopher J. Adams'
'Paul C. Crawford'
'Thomas J. Podesta'
'Benjamin Salt'
_publ_section_title
;
Thermal solid state synthesis of coordination
complexes from hydrogen bonded precursors.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b501555c
_journal_year                    2005
_chemical_formula_sum            'C12 H16 Cl4 N2 Pt'
_chemical_formula_weight         525.16
_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                102.459(11)
_cell_angle_beta                 91.078(11)
_cell_angle_gamma                114.901(11)
_cell_formula_units_Z            2
_cell_length_a                   7.430(6)
_cell_length_b                   8.401(6)
_cell_length_c                   14.686(11)
_cell_measurement_temperature    173(2)
_cell_volume                     805.7(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.165
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7100452
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
Pt3 Pt 0.43848(2) 0.29034(2) 0.239793(11) 0.02061(6) Uani 1 1 d . . .
Cl4 Cl 0.49646(16) 0.03659(14) 0.22971(7) 0.0280(2) Uani 1 1 d . . .
Cl3 Cl 0.63496(17) 0.42258(15) 0.38384(8) 0.0309(2) Uani 1 1 d . . .
Cl2 Cl 0.24296(18) 0.15502(15) 0.09594(8) 0.0332(2) Uani 1 1 d . . .
Cl1 Cl 0.37940(17) 0.54200(15) 0.25224(8) 0.0313(2) Uani 1 1 d . . .
N1 N 0.7271(6) 0.2117(5) -0.0135(3) 0.0339(9) Uani 1 1 d . . .
H1 H 0.6925 0.1084 -0.0525 0.041 Uiso 1 1 calc R . .
N2 N 0.3458(5) 0.0502(5) 0.4373(3) 0.0274(8) Uani 1 1 d . . .
H2 H 0.4162 0.1065 0.3986 0.033 Uiso 1 1 calc R . .
C11 C 0.8349(7) 0.5389(7) 0.1104(3) 0.0338(11) Uani 1 1 d . . .
C21 C 0.1199(6) -0.1294(6) 0.5598(3) 0.0277(9) Uani 1 1 d . . .
C14 C 0.6869(7) 0.3357(7) -0.0399(3) 0.0343(11) Uani 1 1 d . . .
H14 H 0.6223 0.3103 -0.0998 0.041 Uiso 1 1 calc R . .
C23 C 0.2422(7) -0.1307(7) 0.4107(3) 0.0320(10) Uani 1 1 d . . .
H23 H 0.2482 -0.1931 0.3512 0.038 Uiso 1 1 calc R . .
C22 C 0.1289(7) -0.2230(6) 0.4700(3) 0.0319(10) Uani 1 1 d . . .
H22 H 0.0572 -0.3483 0.4511 0.038 Uiso 1 1 calc R . .
C13 C 0.8183(7) 0.2414(7) 0.0705(4) 0.0393(12) Uani 1 1 d . . .
H13 H 0.8461 0.1518 0.0861 0.047 Uiso 1 1 calc R . .
C25 C 0.2318(7) 0.0570(6) 0.5849(3) 0.0292(10) Uani 1 1 d . . .
H25 H 0.2320 0.1229 0.6445 0.035 Uiso 1 1 calc R . .
C24 C 0.3423(7) 0.1445(6) 0.5220(3) 0.0309(10) Uani 1 1 d . . .
H24 H 0.4147 0.2699 0.5386 0.037 Uiso 1 1 calc R . .
C12 C 0.8724(7) 0.4031(8) 0.1349(4) 0.0420(13) Uani 1 1 d . . .
H12 H 0.9338 0.4224 0.1947 0.050 Uiso 1 1 calc R . .
C26 C -0.0027(8) -0.2284(8) 0.6275(4) 0.0452(13) Uani 1 1 d . . .
H26C H -0.0446 -0.1498 0.6698 0.068 Uiso 1 1 calc R . .
H26A H 0.0763 -0.2655 0.6627 0.068 Uiso 1 1 calc R . .
H26B H -0.1183 -0.3332 0.5932 0.068 Uiso 1 1 calc R . .
C15 C 0.7403(7) 0.5003(7) 0.0206(3) 0.0332(10) Uani 1 1 d . . .
H15 H 0.7132 0.5875 0.0016 0.040 Uiso 1 1 calc R . .
C16 C 0.8942(10) 0.7172(8) 0.1791(5) 0.0670(19) Uani 1 1 d . . .
H16C H 0.8593 0.6978 0.2397 0.101 Uiso 1 1 calc R . .
H16A H 0.8255 0.7800 0.1584 0.101 Uiso 1 1 calc R . .
H16B H 1.0359 0.7885 0.1834 0.101 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
Pt3 Cl1 2.3052(18) . ?
Pt3 Cl2 2.3073(18) . ?
Pt3 Cl3 2.3118(18) . ?
Pt3 Cl4 2.3219(18) . ?
N1 C13 1.317(7) . ?
N1 C14 1.325(6) . ?
N2 C24 1.330(6) . ?
N2 C23 1.342(6) . ?
C11 C15 1.389(7) . ?
C11 C12 1.396(7) . ?
C11 C16 1.494(8) . ?
C21 C25 1.386(6) . ?
C21 C22 1.401(6) . ?
C21 C26 1.504(6) . ?
C14 C15 1.362(7) . ?
C23 C22 1.356(6) . ?
C13 C12 1.369(8) . ?
C25 C24 1.371(6) . ?
