#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:17:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179239 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/59/4315980.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_4315980
loop_
_publ_author_name
'Richard D. Adams'
'William C. Pearl'
_publ_section_title
;
 Reactions of the Platinum (Tri-tert-butylphosphine) Group with Bridging
 SbPh2 Ligands in Rhenium-Antimony Carbonyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6188
_journal_page_last               6195
_journal_paper_doi               10.1021/ic1008335
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C39 H41 O9 P Pt Re2 Sb2'
_chemical_formula_weight         1495.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.2000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2736(3)
_cell_length_b                   20.8500(8)
_cell_length_c                   23.7667(9)
_cell_measurement_reflns_used    8495
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      22.56
_cell_measurement_theta_min      2.41
_cell_volume                     4583.1(3)
_computing_cell_refinement       'SAINT+  V6.45 (Bruker, 2003)'
_computing_data_collection       'SMART V5.632 (Bruker, 2005)'
_computing_data_reduction        'SAINT+  V6.45'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            58671
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    9.550
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.525
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.168
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Bar
_exptl_crystal_F_000             2768
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.913
_refine_diff_density_min         -2.486
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         9385
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0528P)²+21.6335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1342
_reflns_number_gt                5834
_reflns_number_total             9385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1008335_si_002_6.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4315980
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.2462(5) 0.0626(2) 0.13149(15) 0.0766(6) Uani 0.564(14) 1 d P A 1
Pt1A Pt 0.2237(8) 0.0719(4) 0.1407(3) 0.1020(14) Uani 0.436(14) 1 d P A 2
Re1 Re 0.49578(5) 0.23060(3) 0.05526(2) 0.08337(17) Uani 1 1 d . A .
Re2 Re 0.09383(5) 0.28003(3) 0.12758(2) 0.08946(18) Uani 1 1 d . A .
Sb1 Sb 0.27992(7) 0.32081(4) 0.05076(3) 0.0730(2) Uani 1 1 d . . .
Sb2 Sb 0.31156(8) 0.18739(4) 0.13515(3) 0.0801(2) Uani 1 1 d . . .
P1 P 0.1779(4) -0.03343(17) 0.16249(14) 0.0984(10) Uani 1 1 d . . .
O1 O 0.354(3) 0.0310(9) 0.0212(7) 0.260(10) Uani 1 1 d . A .
O11 O 0.3096(15) 0.1623(6) -0.0393(6) 0.156(4) Uani 1 1 d . A .
O12 O 0.6829(12) 0.2925(6) -0.0301(5) 0.152(5) Uani 1 1 d . A .
O13 O 0.6460(13) 0.3049(7) 0.1561(5) 0.166(5) Uani 1 1 d . A .
O14 O 0.6938(13) 0.1132(7) 0.0739(7) 0.198(7) Uani 1 1 d . A .
O21 O -0.0445(13) 0.1872(8) 0.0380(6) 0.178(6) Uani 1 1 d . A .
O22 O -0.0720(13) 0.2217(7) 0.2227(6) 0.188(6) Uani 1 1 d . A .
O23 O 0.2769(16) 0.3673(7) 0.2111(6) 0.175(6) Uani 1 1 d . A .
O24 O -0.1251(11) 0.3885(6) 0.0981(5) 0.156(5) Uani 1 1 d . A .
C1 C 0.313(3) 0.0461(8) 0.0648(9) 0.181(10) Uani 1 1 d . . .
C11 C 0.3800(17) 0.1871(8) -0.0037(7) 0.112(5) Uani 1 1 d . . .
C12 C 0.6115(15) 0.2704(7) 0.0015(6) 0.106(4) Uani 1 1 d . . .
C13 C 0.5915(13) 0.2786(8) 0.1191(6) 0.106(5) Uani 1 1 d . . .
C14 C 0.6214(16) 0.1562(9) 0.0678(8) 0.140(6) Uani 1 1 d . . .
C21 C 0.0039(13) 0.2224(8) 0.0707(6) 0.110(5) Uani 1 1 d . . .
C22 C -0.0112(16) 0.2435(9) 0.1867(7) 0.132(6) Uani 1 1 d . . .
C23 C 0.199(2) 0.3315(9) 0.1776(9) 0.142(6) Uani 1 1 d U . .
C24 C -0.0437(15) 0.3485(9) 0.1101(6) 0.120(5) Uani 1 1 d . . .
C25 C 0.1781(11) 0.3353(6) -0.0303(5) 0.082(3) Uani 1 1 d D B .
C26 C 0.046(2) 0.3129(11) -0.0501(8) 0.190(14) Uani 0.767(13) 1 d PD B 1
H26 H -0.0085 0.2908 -0.0251 0.228 Uiso 0.767(13) 1 calc PR B 1
C27 C -0.011(3) 0.3208(13) -0.1043(9) 0.179(12) Uani 0.767(13) 1 d PD B 1
H27 H -0.0972 0.2996 -0.1151 0.214 Uiso 0.767(13) 1 calc PR B 1
C28 C 0.042(2) 0.3533(11) -0.1384(7) 0.154(8) Uani 1 1 d D . .
H28 H -0.0081 0.3671 -0.1716 0.185 Uiso 1 1 calc R B 1
C29 C 0.170(4) 0.367(2) -0.1258(12) 0.30(3) Uani 0.767(13) 1 d PD B 1
H29 H 0.2236 0.3839 -0.1538 0.358 Uiso 0.767(13) 1 calc PR B 1
C30 C 0.237(3) 0.3585(18) -0.0721(9) 0.25(2) Uani 0.767(13) 1 d PD B 1
H30 H 0.3337 0.3709 -0.0665 0.302 Uiso 0.767(13) 1 calc PR B 1
C31 C 0.354(2) 0.4167(11) 0.0663(13) 0.206(5) Uani 1 1 d . C 1
C32 C 0.265(2) 0.4602(10) 0.0822(11) 0.206(5) Uani 1 1 d . C 1
H32 H 0.1683 0.4510 0.0859 0.247 Uiso 1 1 calc R C 1
C33 C 0.325(2) 0.5256(10) 0.0944(12) 0.206(5) Uani 1 1 d . C 1
H33 H 0.2654 0.5595 0.1027 0.247 Uiso 1 1 calc R C 1
C34 C 0.462(3) 0.5336(11) 0.0929(12) 0.206(5) Uani 1 1 d . C 1
H34 H 0.4986 0.5739 0.1028 0.247 Uiso 1 1 calc R C 1
C35 C 0.551(2) 0.4927(11) 0.0796(8) 0.158(7) Uani 1 1 d . C 1
H35 H 0.6479 0.5026 0.0773 0.190 Uiso 1 1 calc R C 1
C36 C 0.4980(19) 0.4313(8) 0.0682(6) 0.123(5) Uani 1 1 d . C 1
H36 H 0.5633 0.3987 0.0616 0.148 Uiso 1 1 calc R C 1
C37 C 0.4270(14) 0.1916(7) 0.2170(6) 0.100(4) Uani 1 1 d . A .
C38 C 0.5605(16) 0.1646(9) 0.2248(7) 0.132(6) Uani 1 1 d . . .
H38 H 0.6026 0.1465 0.1942 0.159 Uiso 1 1 calc R A .
C39 C 0.636(3) 0.1636(13) 0.2784(10) 0.182(12) Uani 1 1 d . A .
H39 H 0.7268 0.1447 0.2821 0.219 Uiso 1 1 calc R . .
C40 C 0.585(4) 0.1872(16) 0.3213(11) 0.206(14) Uani 1 1 d . . .
H40 H 0.6365 0.1852 0.3563 0.247 Uiso 1 1 calc R A .
C41 C 0.450(3) 0.2164(13) 0.3157(8) 0.204(11) Uani 1 1 d . A .
H41 H 0.4111 0.2348 0.3468 0.245 Uiso 1 1 calc R . .
C42 C 0.375(2) 0.2178(8) 0.2627(6) 0.137(6) Uani 1 1 d . . .
H42 H 0.2852 0.2378 0.2591 0.164 Uiso 1 1 calc R A .
C43 C 0.049(4) -0.0909(15) 0.1224(12) 0.162(13) Uiso 0.564(14) 1 d PD A 1
C44 C -0.036(5) -0.139(2) 0.157(2) 0.25(3) Uiso 0.564(14) 1 d PD A 1
H44A H -0.0517 -0.1212 0.1930 0.376 Uiso 0.564(14) 1 calc PR A 1
H44B H 0.0181 -0.1783 0.1617 0.376 Uiso 0.564(14) 1 calc PR A 1
H44C H -0.1278 -0.1481 0.1368 0.376 Uiso 0.564(14) 1 calc PR A 1
C45 C 0.009(4) -0.0604(17) 0.0642(14) 0.182(15) Uiso 0.564(14) 1 d PD A 1
H45A H -0.0938 -0.0635 0.0557 0.274 Uiso 0.564(14) 1 calc PR A 1
H45B H 0.0578 -0.0827 0.0359 0.274 Uiso 0.564(14) 1 calc PR A 1
H45C H 0.0370 -0.0161 0.0649 0.274 Uiso 0.564(14) 1 calc PR A 1
C46 C 0.139(4) -0.1338(18) 0.0885(16) 0.194(17) Uiso 0.564(14) 1 d PD A 1
H46A H 0.2398 -0.1248 0.0977 0.291 Uiso 0.564(14) 1 calc PR A 1
H46B H 0.1161 -0.1262 0.0491 0.291 Uiso 0.564(14) 1 calc PR A 1
H46C H 0.1195 -0.1777 0.0972 0.291 Uiso 0.564(14) 1 calc PR A 1
C47 C 0.070(4) 0.0078(13) 0.2197(12) 0.147(11) Uiso 0.564(14) 1 d PD A 1
C48 C -0.087(4) 0.021(3) 0.196(2) 0.25(2) Uiso 0.564(14) 1 d PD A 1
H48A H -0.1193 0.0606 0.2122 0.381 Uiso 0.564(14) 1 calc PR A 1
H48B H -0.1478 -0.0134 0.2066 0.381 Uiso 0.564(14) 1 calc PR A 1
H48C H -0.0900 0.0248 0.1561 0.381 Uiso 0.564(14) 1 calc PR A 1
C49 C 0.105(4) -0.0256(16) 0.2801(12) 0.146(12) Uiso 0.564(14) 1 d PD A 1
H49A H 0.2018 -0.0154 0.2942 0.220 Uiso 0.564(14) 1 calc PR A 1
H49B H 0.0950 -0.0713 0.2763 0.220 Uiso 0.564(14) 1 calc PR A 1
H49C H 0.0381 -0.0101 0.3061 0.220 Uiso 0.564(14) 1 calc PR A 1
C50 C 0.135(4) 0.0747(13) 0.2037(13) 0.126(10) Uiso 0.564(14) 1 d PD A 1
H50A H 0.1999 0.0904 0.2344 0.151 Uiso 0.564(14) 1 calc PR A 1
H50B H 0.0576 0.1057 0.1966 0.151 Uiso 0.564(14) 1 calc PR A 1
C51 C 0.335(4) -0.0718(18) 0.2033(16) 0.180(15) Uiso 0.564(14) 1 d PD A 1
C52 C 0.283(7) -0.128(3) 0.238(2) 0.27(3) Uiso 0.564(14) 1 d PD A 1
H52A H 0.2179 -0.1546 0.2153 0.410 Uiso 0.564(14) 1 calc PR A 1
H52B H 0.2349 -0.1122 0.2699 0.410 Uiso 0.564(14) 1 calc PR A 1
H52C H 0.3651 -0.1536 0.2521 0.410 Uiso 0.564(14) 1 calc PR A 1
C53 C 0.471(5) -0.074(2) 0.171(2) 0.209(19) Uiso 0.564(14) 1 d PD A 1
H53A H 0.5077 -0.1167 0.1708 0.313 Uiso 0.564(14) 1 calc PR A 1
H53B H 0.5433 -0.0460 0.1896 0.313 Uiso 0.564(14) 1 calc PR A 1
H53C H 0.4491 -0.0591 0.1333 0.313 Uiso 0.564(14) 1 calc PR A 1
C54 C 0.424(4) -0.0250(17) 0.2419(15) 0.174(14) Uiso 0.564(14) 1 d PD A 1
H54A H 0.3615 -0.0029 0.2658 0.261 Uiso 0.564(14) 1 calc PR A 1
H54B H 0.4713 0.0056 0.2193 0.261 Uiso 0.564(14) 1 calc PR A 1
H54C H 0.4957 -0.0485 0.2648 0.261 Uiso 0.564(14) 1 calc PR A 1
C55 C -0.033(4) -0.0451(18) 0.1441(16) 0.171(18) Uiso 0.436(14) 1 d PD A 2
C56 C -0.090(5) -0.1110(19) 0.1630(18) 0.158(17) Uiso 0.436(14) 1 d PD A 2
H56A H -0.1836 -0.1189 0.1445 0.237 Uiso 0.436(14) 1 calc PR A 2
H56B H -0.0963 -0.1109 0.2031 0.237 Uiso 0.436(14) 1 calc PR A 2
H56C H -0.0243 -0.1442 0.1531 0.237 Uiso 0.436(14) 1 calc PR A 2
C57 C -0.109(6) 0.0200(19) 0.152(2) 0.20(2) Uiso 0.436(14) 1 d PD A 2
H57A H -0.2089 0.0165 0.1385 0.295 Uiso 0.436(14) 1 calc PR A 2
H57B H -0.0633 0.0523 0.1303 0.295 Uiso 0.436(14) 1 calc PR A 2
H57C H -0.1015 0.0315 0.1908 0.295 Uiso 0.436(14) 1 calc PR A 2
C58 C -0.075(4) -0.0350(18) 0.0844(14) 0.137(13) Uiso 0.436(14) 1 d PD A 2
H58A H -0.1191 0.0065 0.0794 0.205 Uiso 0.436(14) 1 calc PR A 2
H58B H -0.1426 -0.0675 0.0714 0.205 Uiso 0.436(14) 1 calc PR A 2
H58C H 0.0092 -0.0372 0.0633 0.205 Uiso 0.436(14) 1 calc PR A 2
C59 C 0.173(4) -0.0033(16) 0.2373(16) 0.158(16) Uiso 0.436(14) 1 d PD A 2
C60 C 0.028(4) -0.009(2) 0.2673(18) 0.152(16) Uiso 0.436(14) 1 d PD A 2
H60A H 0.0468 -0.0297 0.3033 0.228 Uiso 0.436(14) 1 calc PR A 2
H60B H -0.0402 -0.0345 0.2443 0.228 Uiso 0.436(14) 1 calc PR A 2
H60C H -0.0114 0.0327 0.2727 0.228 Uiso 0.436(14) 1 calc PR A 2
C61 C 0.329(4) -0.003(2) 0.2638(18) 0.159(16) Uiso 0.436(14) 1 d PD A 2
H61A H 0.3315 0.0155 0.3009 0.238 Uiso 0.436(14) 1 calc PR A 2
H61B H 0.3889 0.0218 0.2407 0.238 Uiso 0.436(14) 1 calc PR A 2
H61C H 0.3649 -0.0462 0.2665 0.238 Uiso 0.436(14) 1 calc PR A 2
C62 C 0.201(4) 0.0628(13) 0.2197(13) 0.097(9) Uiso 0.436(14) 1 d PD A 2
H62A H 0.2875 0.0781 0.2406 0.116 Uiso 0.436(14) 1 calc PR A 2
H62B H 0.1210 0.0897 0.2296 0.116 Uiso 0.436(14) 1 calc PR A 2
C63 C 0.278(5) -0.108(2) 0.1548(16) 0.21(2) Uiso 0.436(14) 1 d PD A 2
C64 C 0.277(5) -0.153(2) 0.2077(16) 0.147(15) Uiso 0.436(14) 1 d PD A 2
H64A H 0.3484 -0.1857 0.2055 0.221 Uiso 0.436(14) 1 calc PR A 2
H64B H 0.1830 -0.1721 0.2089 0.221 Uiso 0.436(14) 1 calc PR A 2
H64C H 0.2979 -0.1278 0.2412 0.221 Uiso 0.436(14) 1 calc PR A 2
C65 C 0.256(5) -0.134(2) 0.0935(15) 0.154(16) Uiso 0.436(14) 1 d PD A 2
H65A H 0.1716 -0.1608 0.0898 0.231 Uiso 0.436(14) 1 calc PR A 2
H65B H 0.3393 -0.1592 0.0851 0.231 Uiso 0.436(14) 1 calc PR A 2
H65C H 0.2453 -0.0990 0.0677 0.231 Uiso 0.436(14) 1 calc PR A 2
C66 C 0.426(5) -0.099(3) 0.139(2) 0.20(2) Uiso 0.436(14) 1 d PD A 2
H66A H 0.4702 -0.1399 0.1335 0.307 Uiso 0.436(14) 1 calc PR A 2
H66B H 0.4805 -0.0762 0.1686 0.307 Uiso 0.436(14) 1 calc PR A 2
H66C H 0.4247 -0.0747 0.1047 0.307 Uiso 0.436(14) 1 calc PR A 2
C26A C 0.095(7) 0.393(5) -0.035(3) 0.190(14) Uani 0.233(13) 1 d PD B 2
H26A H 0.0905 0.4182 -0.0032 0.228 Uiso 0.233(13) 1 calc PR B 2
C27A C 0.021(7) 0.412(5) -0.084(3) 0.179(12) Uani 0.233(13) 1 d PD B 2
H27A H -0.0310 0.4504 -0.0889 0.214 Uiso 0.233(13) 1 calc PR B 2
C29A C 0.125(12) 0.314(9) -0.126(5) 0.30(3) Uani 0.233(13) 1 d PD B 2
H29A H 0.1577 0.2855 -0.1521 0.358 Uiso 0.233(13) 1 calc PR B 2
C30A C 0.179(10) 0.312(8) -0.066(4) 0.25(2) Uani 0.233(13) 1 d PD B 2
H30A H 0.2338 0.2754 -0.0596 0.302 Uiso 0.233(13) 1 calc PR B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C50 169.9(12) . . ?
C1 Pt1 P1 104.2(6) . . ?
C50 Pt1 P1 70.6(7) . . ?
C1 Pt1 Sb2 97.2(6) . . ?
C50 Pt1 Sb2 88.9(7) . . ?
P1 Pt1 Sb2 158.21(16) . . ?
C62 Pt1A C1 153.3(13) . . ?
C62 Pt1A P1 69.5(9) . . ?
C1 Pt1A P1 92.3(6) . . ?
C62 Pt1A Sb2 101.8(9) . . ?
C1 Pt1A Sb2 92.8(6) . . ?
P1 Pt1A Sb2 167.9(3) . . ?
C12 Re1 C11 91.6(7) . . ?
C12 Re1 C14 95.1(6) . . ?
C11 Re1 C14 91.8(7) . . ?
C12 Re1 C13 92.9(6) . . ?
C11 Re1 C13 172.9(6) . . ?
C14 Re1 C13 93.2(7) . . ?
C12 Re1 Sb1 96.9(4) . . ?
C11 Re1 Sb1 85.9(4) . . ?
C14 Re1 Sb1 167.8(4) . . ?
C13 Re1 Sb1 88.2(4) . . ?
C12 Re1 Sb2 173.0(4) . . ?
C11 Re1 Sb2 90.4(5) . . ?
C14 Re1 Sb2 91.6(4) . . ?
C13 Re1 Sb2 84.5(4) . . ?
Sb1 Re1 Sb2 76.52(2) . . ?
C23 Re2 C22 91.7(8) . . ?
C23 Re2 C24 91.0(7) . . ?
C22 Re2 C24 95.0(6) . . ?
C23 Re2 C21 173.2(6) . . ?
C22 Re2 C21 92.8(7) . . ?
C24 Re2 C21 93.6(7) . . ?
C23 Re2 Sb1 85.4(5) . . ?
C22 Re2 Sb1 170.8(4) . . ?
C24 Re2 Sb1 93.7(4) . . ?
C21 Re2 Sb1 89.3(4) . . ?
C23 Re2 Sb2 90.9(5) . . ?
C22 Re2 Sb2 94.7(4) . . ?
C24 Re2 Sb2 170.0(4) . . ?
C21 Re2 Sb2 83.6(4) . . ?
Sb1 Re2 Sb2 76.67(2) . . ?
C25 Sb1 C31 98.1(9) . . ?
C25 Sb1 Re2 113.1(3) . . ?
C31 Sb1 Re2 112.6(6) . . ?
C25 Sb1 Re1 114.3(3) . . ?
C31 Sb1 Re1 114.3(6) . . ?
Re2 Sb1 Re1 104.77(3) . . ?
C37 Sb2 Pt1A 97.5(4) . . ?
C37 Sb2 Pt1 99.5(4) . . ?
Pt1A Sb2 Pt1 7.6(2) . . ?
C37 Sb2 Re2 109.9(4) . . ?
Pt1A Sb2 Re2 115.1(2) . . ?
Pt1 Sb2 Re2 120.70(9) . . ?
C37 Sb2 Re1 108.2(3) . . ?
Pt1A Sb2 Re1 123.6(2) . . ?
Pt1 Sb2 Re1 116.13(7) . . ?
Re2 Sb2 Re1 102.04(3) . . ?
C63 P1 C59 115.2(15) . . ?
C63 P1 C43 73.5(15) . . ?
C59 P1 C43 128.6(14) . . ?
C63 P1 C51 46.1(15) . . ?
C59 P1 C51 74.1(15) . . ?
C43 P1 C51 115.3(15) . . ?
C63 P1 C47 137.4(14) . . ?
C59 P1 C47 31.3(12) . . ?
C43 P1 C47 107.1(13) . . ?
C51 P1 C47 104.2(15) . . ?
C63 P1 C55 111.8(17) . . ?
C59 P1 C55 98.9(14) . . ?
C43 P1 C55 40.5(12) . . ?
C51 P1 C55 141.1(16) . . ?
C47 P1 C55 70.2(14) . . ?
C63 P1 Pt1 124.9(14) . . ?
C59 P1 Pt1 92.3(9) . . ?
C43 P1 Pt1 125.5(9) . . ?
C51 P1 Pt1 109.0(12) . . ?
C47 P1 Pt1 90.4(8) . . ?
C55 P1 Pt1 109.5(11) . . ?
C63 P1 Pt1A 133.4(14) . . ?
C59 P1 Pt1A 85.0(10) . . ?
C43 P1 Pt1A 127.5(10) . . ?
C51 P1 Pt1A 112.1(11) . . ?
C47 P1 Pt1A 81.3(8) . . ?
C55 P1 Pt1A 105.2(11) . . ?
Pt1 P1 Pt1A 9.2(3) . . ?
O1 C1 Pt1 175.5(19) . . ?
O1 C1 Pt1A 176(3) . . ?
Pt1 C1 Pt1A 4.7(3) . . ?
O11 C11 Re1 178.7(15) . . ?
O12 C12 Re1 178.0(13) . . ?
O13 C13 Re1 178.7(13) . . ?
O14 C14 Re1 178.6(18) . . ?
O21 C21 Re2 177.4(15) . . ?
O22 C22 Re2 178.9(17) . . ?
O23 C23 Re2 177.4(14) . . ?
O24 C24 Re2 178.0(16) . . ?
C30A C25 C30 58(5) . . ?
C30A C25 C26 66(4) . . ?
C30 C25 C26 107.0(16) . . ?
C30A C25 C26A 113(8) . . ?
C30 C25 C26A 83(3) . . ?
C26 C25 C26A 78(2) . . ?
C30A C25 Sb1 134(8) . . ?
C30 C25 Sb1 125.5(12) . . ?
C26 C25 Sb1 126.8(10) . . ?
C26A C25 Sb1 113(3) . . ?
C25 C26 C27 124(2) . . ?
C28 C27 C26 124(2) . . ?
C28 C27 C29 33.7(13) . . ?
C26 C27 C29 91.3(16) . . ?
C29A C28 C27 74(4) . . ?
C29A C28 C29 59(6) . . ?
C27 C28 C29 114(2) . . ?
C29A C28 C27A 114(8) . . ?
C27 C28 C27A 80(2) . . ?
C29 C28 C27A 80(3) . . ?
C28 C29 C30 124(2) . . ?
C28 C29 C27 32.4(12) . . ?
C30 C29 C27 92.0(16) . . ?
C25 C30 C29 125(2) . . ?
C32 C31 C36 118(2) . . ?
C32 C31 Sb1 120.3(17) . . ?
C36 C31 Sb1 120.8(15) . . ?
C31 C32 C33 117(2) . . ?
C34 C33 C32 118(2) . . ?
C35 C34 C33 126(2) . . ?
C34 C35 C36 117(2) . . ?
C31 C36 C35 122.6(19) . . ?
C42 C37 C38 115.8(14) . . ?
C42 C37 Sb2 124.5(11) . . ?
C38 C37 Sb2 119.7(12) . . ?
C37 C38 C39 121(2) . . ?
C40 C39 C38 122(3) . . ?
C39 C40 C41 119(3) . . ?
C40 C41 C42 119(3) . . ?
C37 C42 C41 123(2) . . ?
C46 C43 C45 82.7(18) . . ?
C46 C43 C44 103(2) . . ?
C45 C43 C44 130(3) . . ?
C46 C43 P1 107(3) . . ?
C45 C43 P1 107(2) . . ?
C44 C43 P1 118(3) . . ?
C48 C47 C50 97(3) . . ?
C48 C47 C49 121(3) . . ?
C50 C47 C49 123(3) . . ?
C48 C47 P1 110(3) . . ?
C50 C47 P1 90.0(19) . . ?
C49 C47 P1 111(2) . . ?
C47 C50 Pt1 108(2) . . ?
C54 C51 C53 83(3) . . ?
C54 C51 C52 110(4) . . ?
C53 C51 C52 124(4) . . ?
C54 C51 P1 114(3) . . ?
C53 C51 P1 113(3) . . ?
C52 C51 P1 110(3) . . ?
C58 C55 C57 84(2) . . ?
C58 C55 C56 110(3) . . ?
C57 C55 C56 125(3) . . ?
C58 C55 P1 113(3) . . ?
C57 C55 P1 108(3) . . ?
C56 C55 P1 113(3) . . ?
C62 C59 C61 86(2) . . ?
C62 C59 C60 112(3) . . ?
C61 C59 C60 129(3) . . ?
C62 C59 P1 92(2) . . ?
C61 C59 P1 107(2) . . ?
C60 C59 P1 119(3) . . ?
C59 C62 Pt1A 114(2) . . ?
C66 C63 C65 82(2) . . ?
C66 C63 C64 110(3) . . ?
C65 C63 C64 123(3) . . ?
C66 C63 P1 114(4) . . ?
C65 C63 P1 111(3) . . ?
C64 C63 P1 113(3) . . ?
C27A C26A C25 124(10) . . ?
C26A C27A C28 109(9) . . ?
C28 C29A C30A 116(10) . . ?
C25 C30A C29A 144(10) . . ?
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 C1 1.776(18) . ?
Pt1 C50 2.08(3) . ?
Pt1 P1 2.241(6) . ?
Pt1 Sb2 2.671(5) . ?
Pt1A C62 1.91(3) . ?
Pt1A C1 2.11(2) . ?
Pt1A P1 2.302(7) . ?
Pt1A Sb2 2.550(6) . ?
Re1 C12 1.916(14) . ?
Re1 C11 1.928(18) . ?
Re1 C14 1.950(17) . ?
Re1 C13 1.974(16) . ?
Re1 Sb1 2.7432(8) . ?
Re1 Sb2 2.7946(8) . ?
Re2 C23 1.83(3) . ?
Re2 C22 1.925(15) . ?
Re2 C24 1.939(16) . ?
Re2 C21 1.950(16) . ?
Re2 Sb1 2.7379(8) . ?
Re2 Sb2 2.7905(9) . ?
Sb1 C25 2.104(11) . ?
Sb1 C31 2.14(2) . ?
Sb2 C37 2.152(13) . ?
P1 C63 1.83(4) . ?
P1 C59 1.89(4) . ?
P1 C43 1.90(3) . ?
P1 C51 1.87(4) . ?
P1 C47 1.94(3) . ?
P1 C55 1.99(4) . ?
O1 C1 1.173(19) . ?
O11 C11 1.152(16) . ?
O12 C12 1.135(14) . ?
O13 C13 1.125(17) . ?
O14 C14 1.123(17) . ?
O21 C21 1.137(17) . ?
O22 C22 1.151(16) . ?
O23 C23 1.28(2) . ?
O24 C24 1.146(16) . ?
C25 C30A 0.97(14) . ?
C25 C30 1.27(2) . ?
C25 C26 1.36(2) . ?
C25 C26A 1.42(11) . ?
C26 C27 1.37(2) . ?
C27 C28 1.19(3) . ?
C27 C29 2.03(4) . ?
C28 C29A 1.15(18) . ?
C28 C29 1.23(3) . ?
C28 C27A 1.80(11) . ?
C29 C30 1.39(3) . ?
C31 C32 1.30(2) . ?
C31 C36 1.37(2) . ?
C32 C33 1.49(3) . ?
C33 C34 1.28(3) . ?
C34 C35 1.24(2) . ?
C35 C36 1.39(2) . ?
C37 C42 1.34(2) . ?
C37 C38 1.360(19) . ?
C38 C39 1.41(2) . ?
C39 C40 1.26(4) . ?
C40 C41 1.38(4) . ?
C41 C42 1.40(2) . ?
C43 C46 1.497(17) . ?
C43 C45 1.542(17) . ?
C43 C44 1.550(17) . ?
C47 C48 1.544(19) . ?
C47 C50 1.576(18) . ?
C47 C49 1.607(19) . ?
C51 C54 1.539(19) . ?
C51 C53 1.524(19) . ?
C51 C52 1.542(19) . ?
C55 C58 1.46(2) . ?
C55 C57 1.54(2) . ?
C55 C56 1.55(2) . ?
C59 C62 1.47(2) . ?
C59 C61 1.54(2) . ?
C59 C60 1.57(2) . ?
C63 C66 1.46(2) . ?
C63 C65 1.55(2) . ?
C63 C64 1.56(2) . ?
C26A C27A 1.37(3) . ?
C29A C30A 1.48(13) . ?
