#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061953.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_4061953
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31.5 H32 Cl3 O2 P Pt'
_chemical_formula_weight         774.98
_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                110.223(3)
_cell_angle_beta                 101.911(3)
_cell_angle_gamma                113.268(3)
_cell_formula_units_Z            2
_cell_length_a                   11.7034(10)
_cell_length_b                   12.2222(10)
_cell_length_c                   12.6338(10)
_cell_measurement_temperature    143(2)
_cell_volume                     1429.2(2)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.801
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (26 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C31.50 H32 Cl3 O2 P Pt'
_cod_database_code               4061953
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
Pt Pt 0.438786(12) 0.283517(12) 0.511796(11) 0.01918(4) Uani 1 1 d . . .
P P 0.22849(8) 0.03234(8) 0.78244(7) 0.01722(15) Uiso 1 1 d . . .
Cl1 Cl 0.59623(8) 0.30630(8) 0.40795(8) 0.02733(16) Uani 1 1 d . . .
Cl2 Cl 0.26618(8) 0.09075(8) 0.33357(7) 0.02433(15) Uani 1 1 d . . .
O1 O 0.0615(3) -0.1046(3) 0.4525(2) 0.0326(6) Uani 1 1 d U . .
O2 O 0.2749(3) -0.0564(3) 0.5379(2) 0.0298(5) Uani 1 1 d U . .
C1 C 0.6175(4) 0.4258(4) 0.6810(3) 0.0304(7) Uani 1 1 d DU . .
H1 H 0.692(4) 0.418(5) 0.652(4) 0.052(14) Uiso 1 1 d D . .
C2 C 0.5443(4) 0.4869(3) 0.6531(3) 0.0286(7) Uani 1 1 d DU . .
H2 H 0.569(4) 0.554(4) 0.618(4) 0.047(13) Uiso 1 1 d D . .
C3 C 0.4684(4) 0.5025(3) 0.7363(3) 0.0300(7) Uani 1 1 d U . .
H3 H 0.4885 0.5978 0.7796 0.036 Uiso 1 1 calc R . .
C4 C 0.3167(4) 0.4015(3) 0.6701(3) 0.0270(7) Uani 1 1 d U . .
H4 H 0.2635 0.4284 0.6226 0.032 Uiso 1 1 calc R . .
C5 C 0.2770(4) 0.3841(4) 0.7744(3) 0.0312(8) Uani 1 1 d U . .
H5A H 0.1810 0.3140 0.7448 0.037 Uiso 1 1 calc R . .
H5B H 0.2979 0.4701 0.8416 0.037 Uiso 1 1 calc R . .
C6 C 0.3766(4) 0.3368(3) 0.8092(3) 0.0272(7) Uani 1 1 d U . .
H6 H 0.3783 0.3195 0.8811 0.033 Uiso 1 1 calc R . .
C7 C 0.5134(4) 0.4536(3) 0.8295(3) 0.0309(8) Uani 1 1 d U . .
H7 H 0.5559 0.5289 0.9156 0.037 Uiso 1 1 calc R . .
C8 C 0.6191(4) 0.4187(4) 0.7994(3) 0.0335(8) Uani 1 1 d U . .
H8A H 0.7100 0.4845 0.8668 0.040 Uiso 1 1 calc R . .
H8B H 0.5949 0.3268 0.7876 0.040 Uiso 1 1 calc R . .
C9 C 0.3030(3) 0.2621(3) 0.5926(3) 0.0206(6) Uani 1 1 d U . .
H9 H 0.2086 0.1971 0.5284 0.025 Uiso 1 1 calc R . .
C10 C 0.3314(3) 0.2120(3) 0.6882(3) 0.0203(6) Uani 1 1 d U . .
H10 H 0.4091 0.1964 0.6881 0.024 Uiso 1 1 calc R . .
C11 C 0.2060(3) 0.0794(3) 0.6592(3) 0.0198(6) Uani 1 1 d U . .
H11 H 0.1274 0.0946 0.6509 0.024 Uiso 1 1 calc R . .
C12 C 0.1701(3) -0.0378(3) 0.5372(3) 0.0227(6) Uani 1 1 d U . .
C13 C 0.2569(5) -0.1620(5) 0.4253(4) 0.0450(11) Uani 1 1 d U . .
H13A H 0.1802 -0.2491 0.4044 0.054 Uiso 1 1 calc R . .
H13B H 0.3394 -0.1677 0.4377 0.054 Uiso 1 1 calc R . .
H13C H 0.2388 -0.1404 0.3581 0.054 Uiso 1 1 calc R . .
C21 C 0.4039(3) 0.0864(3) 0.8597(3) 0.0193(6) Uani 1 1 d DU . .
C22 C 0.4801(3) 0.1920(3) 0.9804(3) 0.0233(6) Uani 1 1 d DU . .
H22 H 0.4403 0.2375 1.0216 0.028 Uiso 1 1 calc R . .
C23 C 0.6138(3) 0.2305(4) 1.0401(3) 0.0296(7) Uani 1 1 d DU . .
H23 H 0.6655 0.3024 1.1220 0.035 Uiso 1 1 calc R . .
C24 C 0.6722(4) 0.1639(4) 0.9801(3) 0.0320(8) Uani 1 1 d DU . .
H24 H 0.7628 0.1885 1.0220 0.038 Uiso 1 1 calc R . .
C25 C 0.5986(4) 0.0621(4) 0.8598(3) 0.0298(7) Uani 1 1 d DU . .
H25 H 0.6396 0.0184 0.8184 0.036 Uiso 1 1 calc R . .
C26 C 0.4652(3) 0.0233(3) 0.7992(3) 0.0234(6) Uani 1 1 d DU . .
H26 H 0.4153 -0.0463 0.7162 0.028 Uiso 1 1 calc R . .
C31 C 0.1224(3) -0.1480(3) 0.7176(3) 0.0190(6) Uani 1 1 d DU . .
C32 C -0.0176(3) -0.1992(3) 0.6709(3) 0.0227(6) Uani 1 1 d DU . .
H32 H -0.0517 -0.1399 0.6733 0.027 Uiso 1 1 calc R . .
C33 C -0.1064(3) -0.3369(3) 0.6211(3) 0.0265(7) Uani 1 1 d DU . .
H33 H -0.2014 -0.3718 0.5899 0.032 Uiso 1 1 calc R . .
C34 C -0.0574(4) -0.4236(4) 0.6165(3) 0.0303(7) Uani 1 1 d DU . .
H34 H -0.1187 -0.5179 0.5817 0.036 Uiso 1 1 calc R . .
C35 C 0.0813(4) -0.3728(4) 0.6629(4) 0.0331(8) Uani 1 1 d DU . .
H35 H 0.1149 -0.4324 0.6605 0.040 Uiso 1 1 calc R . .
C36 C 0.1710(3) -0.2355(3) 0.7127(3) 0.0266(7) Uani 1 1 d DU . .
H36 H 0.2659 -0.2013 0.7434 0.032 Uiso 1 1 calc R . .
C41 C 0.1675(3) 0.1063(3) 0.8905(3) 0.0190(6) Uani 1 1 d DU . .
C42 C 0.2023(3) 0.1110(3) 1.0056(3) 0.0243(6) Uani 1 1 d DU . .
H42 H 0.2594 0.0776 1.0268 0.029 Uiso 1 1 calc R . .
C43 C 0.1532(4) 0.1644(4) 1.0889(3) 0.0282(7) Uani 1 1 d DU . .
H43 H 0.1792 0.1699 1.1678 0.034 Uiso 1 1 calc R . .
C44 C 0.0666(4) 0.2093(4) 1.0572(3) 0.0307(8) Uani 1 1 d DU . .
H44 H 0.0353 0.2480 1.1151 0.037 Uiso 1 1 calc R . .
C45 C 0.0257(4) 0.1980(4) 0.9413(3) 0.0296(7) Uani 1 1 d DU . .
H45 H -0.0378 0.2243 0.9183 0.036 Uiso 1 1 calc R . .
C46 C 0.0768(3) 0.1484(3) 0.8579(3) 0.0240(6) Uani 1 1 d DU . .
H46 H 0.0501 0.1431 0.7792 0.029 Uiso 1 1 calc R . .
C99 C -0.0878(15) 0.4739(16) -0.0133(10) 0.090(4) Uiso 0.50 1 d PD A -1
H99A H -0.1246 0.5328 -0.0003 0.108 Uiso 0.50 1 d PR A -1
H99B H -0.1620 0.3828 -0.0502 0.108 Uiso 0.50 1 d PR A -1
Cl99 Cl 0.0106(3) 0.5111(3) 0.1204(3) 0.1356(9) Uani 1 1 d D A -1
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
Pt C9 2.040(3) . y
Pt C2 2.119(3) . y
Pt C1 2.163(4) . y
Pt Cl2 2.3230(8) . y
Pt Cl1 2.4575(8) . y
P C31 1.800(3) . y
P C41 1.803(3) . y
P C21 1.806(3) . y
P C11 1.843(3) . y
O1 C12 1.201(4) . y
O2 C12 1.332(4) . y
O2 C13 1.458(4) . y
C1 C2 1.407(5) . y
C1 C8 1.526(5) . y
C2 C3 1.520(5) . y
C3 C4 1.522(5) . y
C3 C7 1.580(5) . y
C4 C5 1.538(5) . y
C4 C9 1.567(4) . y
C5 C6 1.543(5) . y
C6 C10 1.536(4) . y
C6 C7 1.562(5) . y
C7 C8 1.535(6) . y
C9 C10 1.565(4) . y
C10 C11 1.550(4) . y
C11 C12 1.528(4) . y
C21 C26 1.395(4) . ?
C21 C22 1.399(4) . ?
C22 C23 1.387(5) . ?
C23 C24 1.388(5) . ?
C24 C25 1.381(5) . ?
C25 C26 1.386(5) . ?
C31 C36 1.386(4) . ?
C31 C32 1.400(4) . ?
C32 C33 1.387(5) . ?
C33 C34 1.379(5) . ?
C34 C35 1.387(5) . ?
C35 C36 1.385(5) . ?
C41 C46 1.400(4) . ?
C41 C42 1.402(4) . ?
C42 C43 1.390(4) . ?
C43 C44 1.383(5) . ?
C44 C45 1.382(5) . ?
C45 C46 1.393(4) . ?
C99 Cl99 1.625(11) . ?
