#------------------------------------------------------------------------------
#$Date: 2018-08-19 22:45:11 +0300 (Sun, 19 Aug 2018) $
#$Revision: 209942 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/11/4061153.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_4061153
loop_
_publ_author_name
'Chan, Danny'
'Duckett, Simon B.'
'Heath, Sarah L.'
'Khazal, Iman G.'
'Perutz, Robin N.'
'Sabo-Etienne, Sylviane'
'Timmins, Philippa L.'
_publ_section_title
;
 Platinum Bis(tricyclohexylphosphine) Silyl Hydride Complexes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5744
_journal_page_last               5756
_journal_paper_doi               10.1021/om049549n
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C58.5 H90 P2 Pt Si'
_chemical_formula_weight         1078.43
_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                77.357(4)
_cell_angle_beta                 80.503(4)
_cell_angle_gamma                67.598(3)
_cell_formula_units_Z            2
_cell_length_a                   10.335(2)
_cell_length_b                   12.915(3)
_cell_length_c                   22.289(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2672.8(9)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.340
_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_original_formula_sum        'C58.50 H90 P2 Pt Si'
_cod_database_code               4061153
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 -0.169132(12) 0.184050(9) -0.265668(5) 0.01840(3) Uani 1 1 d . . .
H1 H -0.140(3) 0.268(2) -0.3141(12) 0.028 Uiso 1 1 d . . .
P2 P -0.20711(7) 0.07733(6) -0.17130(3) 0.01878(15) Uani 1 1 d . . .
P1 P -0.08826(7) 0.07905(6) -0.34681(3) 0.01888(15) Uani 1 1 d . . .
Si1 Si -0.21626(9) 0.35645(7) -0.23413(4) 0.02330(18) Uani 1 1 d . . .
H1SI H -0.278(3) 0.369(2) -0.1732(13) 0.035 Uiso 1 1 d . . .
C1 C -0.0816(3) -0.0696(2) -0.33962(12) 0.0210(6) Uani 1 1 d . . .
H1A H -0.1673 -0.0729 -0.3122 0.025 Uiso 1 1 calc R . .
C2 C 0.0428(3) -0.1558(2) -0.30504(13) 0.0231(6) Uani 1 1 d . . .
H2A H 0.1314 -0.1589 -0.3309 0.028 Uiso 1 1 calc R . .
H2B H 0.0441 -0.1301 -0.2665 0.028 Uiso 1 1 calc R . .
C3 C 0.0356(3) -0.2744(2) -0.28914(14) 0.0288(7) Uani 1 1 d . . .
H3A H 0.1202 -0.3277 -0.2687 0.035 Uiso 1 1 calc R . .
H3B H -0.0478 -0.2733 -0.2598 0.035 Uiso 1 1 calc R . .
C4 C 0.0268(3) -0.3161(2) -0.34636(14) 0.0337(8) Uani 1 1 d . . .
H4A H 0.0140 -0.3903 -0.3341 0.040 Uiso 1 1 calc R . .
H4B H 0.1159 -0.3274 -0.3731 0.040 Uiso 1 1 calc R . .
C5 C -0.0948(3) -0.2316(2) -0.38232(15) 0.0333(8) Uani 1 1 d . . .
H5A H -0.1846 -0.2285 -0.3576 0.040 Uiso 1 1 calc R . .
H5B H -0.0930 -0.2581 -0.4210 0.040 Uiso 1 1 calc R . .
C6 C -0.0879(3) -0.1119(2) -0.39807(13) 0.0262(7) Uani 1 1 d . . .
H6A H -0.1718 -0.0588 -0.4190 0.031 Uiso 1 1 calc R . .
H6B H -0.0036 -0.1130 -0.4268 0.031 Uiso 1 1 calc R . .
C7 C 0.0883(3) 0.0833(2) -0.37711(13) 0.0221(6) Uani 1 1 d . . .
H7 H 0.0715 0.1659 -0.3917 0.026 Uiso 1 1 calc R . .
C8 C 0.1902(3) 0.0471(2) -0.32705(13) 0.0245(6) Uani 1 1 d . . .
H8A H 0.1441 0.0889 -0.2924 0.029 Uiso 1 1 calc R . .
H8B H 0.2148 -0.0352 -0.3109 0.029 Uiso 1 1 calc R . .
C9 C 0.3242(3) 0.0715(3) -0.35320(14) 0.0309(7) Uani 1 1 d . . .
H9A H 0.3007 0.1547 -0.3646 0.037 Uiso 1 1 calc R . .
H9B H 0.3910 0.0426 -0.3210 0.037 Uiso 1 1 calc R . .
C10 C 0.3934(3) 0.0164(3) -0.40951(15) 0.0365(8) Uani 1 1 d . . .
H10A H 0.4767 0.0372 -0.4264 0.044 Uiso 1 1 calc R . .
H10B H 0.4256 -0.0673 -0.3973 0.044 Uiso 1 1 calc R . .
C11 C 0.2922(3) 0.0541(3) -0.45887(14) 0.0327(8) Uani 1 1 d . . .
H11A H 0.3388 0.0148 -0.4944 0.039 Uiso 1 1 calc R . .
H11B H 0.2664 0.1369 -0.4736 0.039 Uiso 1 1 calc R . .
C12 C 0.1594(3) 0.0277(2) -0.43408(13) 0.0267(7) Uani 1 1 d . . .
H12A H 0.1838 -0.0556 -0.4229 0.032 Uiso 1 1 calc R . .
H12B H 0.0933 0.0565 -0.4666 0.032 Uiso 1 1 calc R . .
C13 C -0.1949(3) 0.1548(2) -0.41318(13) 0.0215(6) Uani 1 1 d . . .
H13 H -0.1636 0.1040 -0.4449 0.026 Uiso 1 1 calc R . .
C14 C -0.1795(3) 0.2680(2) -0.44442(13) 0.0261(7) Uani 1 1 d . . .
H14A H -0.2038 0.3186 -0.4135 0.031 Uiso 1 1 calc R . .
H14B H -0.0805 0.2543 -0.4610 0.031 Uiso 1 1 calc R . .
C15 C -0.2748(3) 0.3259(2) -0.49676(14) 0.0296(7) Uani 1 1 d . . .
H15A H -0.2650 0.3999 -0.5152 0.036 Uiso 1 1 calc R . .
H15B H -0.2451 0.2781 -0.5293 0.036 Uiso 1 1 calc R . .
C16 C -0.4270(3) 0.3450(2) -0.47409(15) 0.0332(8) Uani 1 1 d . . .
H16A H -0.4859 0.3809 -0.5092 0.040 Uiso 1 1 calc R . .
H16B H -0.4590 0.3970 -0.4436 0.040 Uiso 1 1 calc R . .
C17 C -0.4444(3) 0.2325(2) -0.44445(15) 0.0323(7) Uani 1 1 d . . .
H17A H -0.4205 0.1833 -0.4760 0.039 Uiso 1 1 calc R . .
H17B H -0.5436 0.2467 -0.4282 0.039 Uiso 1 1 calc R . .
C18 C -0.3499(3) 0.1720(2) -0.39205(13) 0.0252(7) Uani 1 1 d . . .
H18A H -0.3586 0.0970 -0.3756 0.030 Uiso 1 1 calc R . .
H18B H -0.3817 0.2171 -0.3582 0.030 Uiso 1 1 calc R . .
C19 C -0.2341(3) -0.0561(2) -0.17375(13) 0.0221(6) Uani 1 1 d . . .
H19 H -0.1596 -0.0932 -0.2051 0.027 Uiso 1 1 calc R . .
C20 C -0.3739(3) -0.0298(2) -0.19977(14) 0.0283(7) Uani 1 1 d . . .
H20A H -0.4527 0.0048 -0.1699 0.034 Uiso 1 1 calc R . .
H20B H -0.3809 0.0259 -0.2386 0.034 Uiso 1 1 calc R . .
C21 C -0.3865(3) -0.1374(3) -0.21252(15) 0.0337(8) Uani 1 1 d . . .
H21A H -0.4801 -0.1182 -0.2267 0.040 Uiso 1 1 calc R . .
H21B H -0.3145 -0.1670 -0.2460 0.040 Uiso 1 1 calc R . .
C22 C -0.3672(4) -0.2288(3) -0.15536(15) 0.0383(8) Uani 1 1 d . . .
H22A H -0.4464 -0.2032 -0.1238 0.046 Uiso 1 1 calc R . .
H22B H -0.3681 -0.2990 -0.1660 0.046 Uiso 1 1 calc R . .
C23 C -0.2301(3) -0.2545(3) -0.12894(14) 0.0332(8) Uani 1 1 d . . .
H23A H -0.1506 -0.2888 -0.1586 0.040 Uiso 1 1 calc R . .
H23B H -0.2236 -0.3106 -0.0903 0.040 Uiso 1 1 calc R . .
C24 C -0.2175(3) -0.1469(2) -0.11528(13) 0.0256(7) Uani 1 1 d . . .
H24A H -0.2911 -0.1165 -0.0825 0.031 Uiso 1 1 calc R . .
H24B H -0.1247 -0.1664 -0.1002 0.031 Uiso 1 1 calc R . .
C25 C -0.0553(3) 0.0312(2) -0.12450(13) 0.0197(6) Uani 1 1 d . . .
H25 H -0.0780 -0.0127 -0.0839 0.024 Uiso 1 1 calc R . .
C26 C -0.0296(3) 0.1334(3) -0.11173(16) 0.0359(8) Uani 1 1 d . . .
H26A H -0.0174 0.1825 -0.1515 0.043 Uiso 1 1 calc R . .
H26B H -0.1132 0.1786 -0.0874 0.043 Uiso 1 1 calc R . .
C27 C 0.0995(3) 0.0982(3) -0.07667(16) 0.0372(8) Uani 1 1 d . . .
H27A H 0.1141 0.1670 -0.0715 0.045 Uiso 1 1 calc R . .
H27B H 0.0834 0.0561 -0.0351 0.045 Uiso 1 1 calc R . .
C28 C 0.2293(3) 0.0244(3) -0.11026(16) 0.0370(8) Uani 1 1 d . . .
H28A H 0.3107 0.0007 -0.0858 0.044 Uiso 1 1 calc R . .
H28B H 0.2501 0.0681 -0.1506 0.044 Uiso 1 1 calc R . .
C29 C 0.2069(3) -0.0805(3) -0.12032(16) 0.0360(8) Uani 1 1 d . . .
H29A H 0.1937 -0.1271 -0.0798 0.043 Uiso 1 1 calc R . .
H29B H 0.2914 -0.1270 -0.1436 0.043 Uiso 1 1 calc R . .
C30 C 0.0786(3) -0.0471(2) -0.15600(14) 0.0271(7) Uani 1 1 d . . .
H30A H 0.0639 -0.1168 -0.1597 0.033 Uiso 1 1 calc R . .
H30B H 0.0968 -0.0080 -0.1982 0.033 Uiso 1 1 calc R . .
C31 C -0.3521(3) 0.1595(2) -0.12015(12) 0.0202(6) Uani 1 1 d . . .
H31 H -0.3169 0.2159 -0.1108 0.024 Uiso 1 1 calc R . .
C32 C -0.3872(3) 0.0977(2) -0.05661(13) 0.0260(7) Uani 1 1 d . . .
H32A H -0.2992 0.0501 -0.0371 0.031 Uiso 1 1 calc R . .
H32B H -0.4354 0.0471 -0.0612 0.031 Uiso 1 1 calc R . .
C33 C -0.4816(3) 0.1826(3) -0.01530(14) 0.0315(7) Uani 1 1 d . . .
H33A H -0.5062 0.1408 0.0250 0.038 Uiso 1 1 calc R . .
H33B H -0.4300 0.2285 -0.0077 0.038 Uiso 1 1 calc R . .
C34 C -0.6152(3) 0.2609(3) -0.04463(15) 0.0383(8) Uani 1 1 d . . .
H34A H -0.6732 0.2163 -0.0469 0.046 Uiso 1 1 calc R . .
H34B H -0.6701 0.3190 -0.0185 0.046 Uiso 1 1 calc R . .
C35 C -0.5826(3) 0.3193(3) -0.10888(15) 0.0380(8) Uani 1 1 d . . .
H35A H -0.5349 0.3713 -0.1060 0.046 Uiso 1 1 calc R . .
H35B H -0.6716 0.3655 -0.1279 0.046 Uiso 1 1 calc R . .
C36 C -0.4887(3) 0.2334(3) -0.15014(14) 0.0297(7) Uani 1 1 d . . .
H36A H -0.4667 0.2742 -0.1913 0.036 Uiso 1 1 calc R . .
H36B H -0.5386 0.1847 -0.1558 0.036 Uiso 1 1 calc R . .
C37 C -0.3454(3) 0.4835(2) -0.28097(13) 0.0244(6) Uani 1 1 d . . .
C38 C -0.4459(3) 0.4699(2) -0.31036(14) 0.0292(7) Uani 1 1 d . . .
H38 H -0.4462 0.3957 -0.3081 0.035 Uiso 1 1 calc R . .
C39 C -0.5456(3) 0.5619(3) -0.34283(15) 0.0350(8) Uani 1 1 d . . .
H39 H -0.6134 0.5502 -0.3619 0.042 Uiso 1 1 calc R . .
C40 C -0.5461(3) 0.6701(3) -0.34734(16) 0.0367(8) Uani 1 1 d . . .
H40 H -0.6138 0.7331 -0.3697 0.044 Uiso 1 1 calc R . .
C41 C -0.4476(3) 0.6864(3) -0.31917(16) 0.0373(8) Uani 1 1 d . . .
H41 H -0.4476 0.7609 -0.3220 0.045 Uiso 1 1 calc R . .
C42 C -0.3494(3) 0.5949(2) -0.28688(15) 0.0322(7) Uani 1 1 d . . .
H42 H -0.2822 0.6078 -0.2680 0.039 Uiso 1 1 calc R . .
C43 C -0.0484(3) 0.3858(2) -0.23883(13) 0.0244(6) Uani 1 1 d . . .
C44 C -0.0315(3) 0.4471(2) -0.19772(14) 0.0303(7) Uani 1 1 d . . .
H44 H -0.1081 0.4787 -0.1691 0.036 Uiso 1 1 calc R . .
C45 C 0.0935(3) 0.4627(3) -0.19783(16) 0.0363(8) Uani 1 1 d . . .
H45 H 0.1018 0.5041 -0.1692 0.044 Uiso 1 1 calc R . .
C46 C 0.2058(3) 0.4190(3) -0.23892(16) 0.0360(8) Uani 1 1 d . . .
H46 H 0.2917 0.4296 -0.2386 0.043 Uiso 1 1 calc R . .
C47 C 0.1933(3) 0.3595(3) -0.28077(16) 0.0361(8) Uani 1 1 d . . .
H47 H 0.2700 0.3300 -0.3099 0.043 Uiso 1 1 calc R . .
C48 C 0.0684(3) 0.3432(3) -0.27994(15) 0.0332(7) Uani 1 1 d . . .
H48 H 0.0616 0.3011 -0.3086 0.040 Uiso 1 1 calc R . .
C1S C 0.3473(4) -0.3725(3) -0.1635(2) 0.0641(12) Uani 1 1 d . . .
H1S1 H 0.4485 -0.3906 -0.1638 0.096 Uiso 1 1 calc R . .
H1S2 H 0.3043 -0.2955 -0.1861 0.096 Uiso 1 1 calc R . .
H1S3 H 0.3316 -0.4270 -0.1832 0.096 Uiso 1 1 calc R . .
C2S C 0.2831(5) -0.3794(3) -0.0988(2) 0.0569(11) Uani 1 1 d . . .
C3S C 0.3535(6) -0.3981(4) -0.0478(3) 0.0809(15) Uani 1 1 d . . .
H3S H 0.4504 -0.4079 -0.0536 0.097 Uiso 1 1 calc R . .
C4S C 0.2874(8) -0.4031(4) 0.0125(3) 0.0973(19) Uani 1 1 d . . .
H4S H 0.3393 -0.4157 0.0465 0.117 Uiso 1 1 calc R . .
C5S C 0.1446(7) -0.3896(4) 0.0225(3) 0.0909(17) Uani 1 1 d . . .
H5S H 0.0975 -0.3931 0.0629 0.109 Uiso 1 1 calc R . .
C6S C 0.0778(6) -0.3714(4) -0.0276(3) 0.0832(15) Uani 1 1 d . . .
H6S H -0.0188 -0.3624 -0.0223 0.100 Uiso 1 1 calc R . .
C7S C 0.1429(5) -0.3655(3) -0.0855(2) 0.0627(12) Uani 1 1 d . . .
H7S H 0.0887 -0.3509 -0.1190 0.075 Uiso 1 1 calc R . .
C8S C -0.1524(10) 0.5858(6) -0.5345(6) 0.076(3) Uani 0.50 1 d P . .
C9S C -0.0835(12) 0.5067(8) -0.4292(5) 0.064(3) Uani 0.50 1 d P . .
C10S C -0.0931(8) 0.5378(5) -0.4826(4) 0.0342(16) Uani 0.50 1 d P . .
C11S C -0.2187(7) 0.5867(4) -0.4629(3) 0.0830(16) Uani 1 1 d . . .
C12S C 0.0328(7) 0.4631(4) -0.4489(2) 0.0604(13) Uani 1 1 d . . .
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 P2 2.3127(8) . ?
Pt1 Si1 2.3311(9) . ?
Pt1 P1 2.3493(8) . ?
P2 C31 1.851(3) . ?
P2 C25 1.860(3) . ?
P2 C19 1.861(3) . ?
P1 C13 1.855(3) . ?
P1 C7 1.855(3) . ?
P1 C1 1.866(3) . ?
Si1 C43 1.895(3) . ?
Si1 C37 1.899(3) . ?
C1 C2 1.532(4) . ?
C1 C6 1.538(4) . ?
C2 C3 1.523(4) . ?
C3 C4 1.517(4) . ?
C4 C5 1.522(4) . ?
C5 C6 1.535(4) . ?
C7 C12 1.535(4) . ?
C7 C8 1.535(4) . ?
C8 C9 1.530(4) . ?
C9 C10 1.517(4) . ?
C10 C11 1.516(4) . ?
C11 C12 1.526(4) . ?
C13 C14 1.530(4) . ?
C13 C18 1.537(4) . ?
C14 C15 1.525(4) . ?
C15 C16 1.513(4) . ?
C16 C17 1.522(4) . ?
C17 C18 1.525(4) . ?
C19 C24 1.534(4) . ?
C19 C20 1.535(4) . ?
C20 C21 1.534(4) . ?
C21 C22 1.517(4) . ?
C22 C23 1.516(4) . ?
C23 C24 1.542(4) . ?
C25 C26 1.533(4) . ?
C25 C30 1.535(4) . ?
C26 C27 1.524(4) . ?
C27 C28 1.509(4) . ?
C28 C29 1.526(4) . ?
C29 C30 1.529(4) . ?
C31 C32 1.527(4) . ?
C31 C36 1.535(4) . ?
C32 C33 1.528(4) . ?
C33 C34 1.517(4) . ?
C34 C35 1.515(4) . ?
C35 C36 1.533(4) . ?
C37 C38 1.398(4) . ?
C37 C42 1.400(4) . ?
C38 C39 1.391(4) . ?
C39 C40 1.377(4) . ?
C40 C41 1.381(4) . ?
C41 C42 1.379(4) . ?
C43 C48 1.396(4) . ?
C43 C44 1.404(4) . ?
C44 C45 1.380(4) . ?
C45 C46 1.372(4) . ?
C46 C47 1.381(4) . ?
C47 C48 1.382(4) . ?
C1S C2S 1.483(6) . ?
C2S C3S 1.378(6) . ?
C2S C7S 1.380(5) . ?
C3S C4S 1.403(7) . ?
C4S C5S 1.404(7) . ?
C5S C6S 1.340(7) . ?
C6S C7S 1.354(6) . ?
C8S C12S 1.192(10) 2_564 ?
C8S C10S 1.313(12) . ?
C8S C11S 1.629(13) . ?
C9S C12S 1.172(9) . ?
C9S C10S 1.179(11) . ?
C9S C11S 1.579(13) . ?
C10S C11S 1.259(9) . ?
C10S C12S 1.496(9) . ?
C10S C12S 1.551(9) 2_564 ?
C10S C10S 1.914(15) 2_564 ?
C12S C8S 1.192(10) 2_564 ?
C12S C10S 1.551(9) 2_564 ?
