#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:12:28 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179050 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/12/4301252.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_4301252
loop_
_publ_author_name
'Richard D. Adams'
'Michael B. Hall'
'William C. Pearl'
'Xinzheng Yang'
_publ_section_title
;
Transformations and Reactions of Re2(CO)8(μ-SbPh2)(μ-H) Induced by the
Addition of a Platinum(tri-t-butylphosphine) Group
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              652
_journal_page_last               662
_journal_paper_doi               10.1021/ic801876s
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C47 H73 O8 P2 Pt2 Re2 Sb2'
_chemical_formula_weight         1834.07
_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                 96.9860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.0255(6)
_cell_length_b                   13.6683(4)
_cell_length_c                   21.6654(6)
_cell_measurement_reflns_used    9292
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.26
_cell_volume                     5886.1(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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            44775
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.02
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    9.834
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    2.070
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3428
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.206
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     580
_refine_ls_number_reflns         14603
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0697P)²+5.8512P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                10731
_reflns_number_total             14603
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801876s_si_001_3.cif
_cod_data_source_block           Comp4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
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
'/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_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301252
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
H1 H 0.244(4) 0.751(4) 0.1264(16) 0.09(3) Uiso 1 1 d D . .
H2 H 0.263(4) 0.303(5) 0.169(3) 0.027(17) Uiso 1 1 d . . .
Pt1 Pt 0.246641(17) 0.67395(2) 0.191373(15) 0.04401(9) Uani 1 1 d D . .
Pt2 Pt 0.209326(17) 0.38900(2) 0.141466(14) 0.04162(9) Uani 1 1 d . . .
Re1 Re 0.19230(2) 0.71838(2) 0.058497(16) 0.04967(10) Uani 1 1 d D . .
Re2 Re 0.321171(19) 0.34251(2) 0.241383(17) 0.04979(10) Uani 1 1 d . . .
Sb1 Sb 0.15772(3) 0.56227(4) 0.12372(2) 0.04279(13) Uani 1 1 d . . .
Sb2 Sb 0.24140(3) 0.50108(4) 0.24081(2) 0.04329(13) Uani 1 1 d . . .
P1 P 0.32145(13) 0.77996(16) 0.25234(12) 0.0533(6) Uani 1 1 d . . .
P2 P 0.18056(13) 0.28470(15) 0.05487(10) 0.0469(5) Uani 1 1 d . . .
O11 O 0.0730(5) 0.8384(6) 0.0983(5) 0.103(3) Uani 1 1 d . . .
O12 O 0.2547(5) 0.9018(6) 0.0047(4) 0.098(3) Uani 1 1 d . . .
O13 O 0.1086(5) 0.6703(6) -0.0666(4) 0.095(3) Uani 1 1 d . . .
O14 O 0.3156(5) 0.5947(7) 0.0281(5) 0.108(3) Uani 1 1 d . . .
O21 O 0.2225(5) 0.2187(6) 0.3108(3) 0.085(2) Uani 1 1 d . . .
O22 O 0.4107(5) 0.3961(7) 0.3600(4) 0.109(3) Uani 1 1 d . . .
O23 O 0.4004(5) 0.1553(6) 0.2185(5) 0.098(3) Uani 1 1 d . . .
O24 O 0.4081(5) 0.4637(7) 0.1588(5) 0.103(3) Uani 1 1 d . . .
C11 C 0.1149(6) 0.7940(7) 0.0838(5) 0.064(3) Uani 1 1 d . . .
C12 C 0.2308(6) 0.8347(7) 0.0254(5) 0.070(3) Uani 1 1 d . . .
C13 C 0.1396(6) 0.6874(7) -0.0209(5) 0.067(3) Uani 1 1 d . . .
C14 C 0.2712(6) 0.6395(8) 0.0383(5) 0.069(3) Uani 1 1 d . . .
C21 C 0.2588(6) 0.2657(7) 0.2871(4) 0.061(2) Uani 1 1 d . . .
C22 C 0.3773(6) 0.3764(7) 0.3164(5) 0.065(3) Uani 1 1 d . . .
C23 C 0.3694(5) 0.2258(7) 0.2267(5) 0.064(3) Uani 1 1 d . . .
C24 C 0.3769(6) 0.4198(8) 0.1873(6) 0.071(3) Uani 1 1 d . . .
C25 C 0.0667(4) 0.5794(6) 0.1662(4) 0.0442(18) Uani 1 1 d . . .
C26 C 0.0159(5) 0.5071(8) 0.1551(5) 0.065(3) Uani 1 1 d . . .
H26 H 0.0218 0.4553 0.1285 0.078 Uiso 1 1 calc R . .
C27 C -0.0423(6) 0.5125(10) 0.1833(5) 0.077(3) Uani 1 1 d . . .
H27 H -0.0754 0.4647 0.1761 0.092 Uiso 1 1 calc R . .
C28 C -0.0501(6) 0.5891(10) 0.2215(5) 0.080(3) Uani 1 1 d . . .
H28 H -0.0894 0.5936 0.2401 0.097 Uiso 1 1 calc R . .
C29 C -0.0029(7) 0.6587(9) 0.2334(5) 0.076(3) Uani 1 1 d . . .
H29 H -0.0089 0.7092 0.2610 0.091 Uiso 1 1 calc R . .
C30 C 0.0552(6) 0.6542(7) 0.2040(4) 0.060(2) Uani 1 1 d . . .
H30 H 0.0868 0.7042 0.2106 0.073 Uiso 1 1 calc R . .
C31 C 0.1643(5) 0.4863(6) 0.2989(3) 0.0458(19) Uani 1 1 d . . .
C32 C 0.1142(5) 0.4166(6) 0.2894(4) 0.057(2) Uani 1 1 d . . .
H32 H 0.1159 0.3705 0.2581 0.068 Uiso 1 1 calc R . .
C33 C 0.0606(6) 0.4131(7) 0.3259(5) 0.067(3) Uani 1 1 d . . .
H33 H 0.0273 0.3656 0.3183 0.080 Uiso 1 1 calc R . .
C34 C 0.0577(5) 0.4792(7) 0.3721(4) 0.062(2) Uani 1 1 d . . .
H34 H 0.0224 0.4782 0.3963 0.075 Uiso 1 1 calc R . .
C35 C 0.1074(6) 0.5471(8) 0.3821(5) 0.073(3) Uani 1 1 d . . .
H35 H 0.1070 0.5910 0.4149 0.088 Uiso 1 1 calc R . .
C36 C 0.1573(5) 0.5525(8) 0.3460(4) 0.063(3) Uani 1 1 d . . .
H36 H 0.1886 0.6030 0.3530 0.076 Uiso 1 1 calc R . .
C37 C 0.3758(6) 0.7186(8) 0.3200(6) 0.082(4) Uani 1 1 d . . .
C38 C 0.4234(7) 0.6501(10) 0.2919(7) 0.108(5) Uani 1 1 d . . .
H38A H 0.4592 0.6313 0.3232 0.162 Uiso 1 1 calc R . .
H38B H 0.4419 0.6828 0.2586 0.162 Uiso 1 1 calc R . .
H38C H 0.3994 0.5928 0.2761 0.162 Uiso 1 1 calc R . .
C39 C 0.3357(8) 0.6555(9) 0.3591(6) 0.097(5) Uani 1 1 d . . .
H39A H 0.2899 0.6519 0.3400 0.146 Uiso 1 1 calc R . .
H39B H 0.3369 0.6836 0.3999 0.146 Uiso 1 1 calc R . .
H39C H 0.3547 0.5909 0.3624 0.146 Uiso 1 1 calc R . .
C40 C 0.4195(8) 0.7915(10) 0.3664(6) 0.112(6) Uani 1 1 d . . .
H40A H 0.3966 0.8031 0.4022 0.168 Uiso 1 1 calc R . .
H40B H 0.4253 0.8524 0.3456 0.168 Uiso 1 1 calc R . .
H40C H 0.4627 0.7629 0.3793 0.168 Uiso 1 1 calc R . .
C41 C 0.2678(6) 0.8798(8) 0.2854(5) 0.072(3) Uani 1 1 d . . .
C42 C 0.2115(7) 0.9094(9) 0.2363(6) 0.096(4) Uani 1 1 d . . .
H42A H 0.1835 0.8537 0.2249 0.144 Uiso 1 1 calc R . .
H42B H 0.2301 0.9335 0.2004 0.144 Uiso 1 1 calc R . .
H42C H 0.1852 0.9599 0.2525 0.144 Uiso 1 1 calc R . .
C43 C 0.2334(7) 0.8374(10) 0.3389(6) 0.100(4) Uani 1 1 d . . .
H43A H 0.1967 0.8790 0.3467 0.150 Uiso 1 1 calc R . .
H43B H 0.2653 0.8334 0.3756 0.150 Uiso 1 1 calc R . .
H43C H 0.2166 0.7731 0.3278 0.150 Uiso 1 1 calc R . .
C44 C 0.3059(7) 0.9736(9) 0.3078(7) 0.104(5) Uani 1 1 d . . .
H44A H 0.3200 1.0074 0.2727 0.156 Uiso 1 1 calc R . .
H44B H 0.3447 0.9567 0.3363 0.156 Uiso 1 1 calc R . .
H44C H 0.2768 1.0152 0.3283 0.156 Uiso 1 1 calc R . .
C45 C 0.3808(6) 0.8412(8) 0.1996(5) 0.073(3) Uani 1 1 d . . .
C46 C 0.3445(7) 0.9183(9) 0.1601(6) 0.097(4) Uani 1 1 d . . .
H46A H 0.3023 0.8927 0.1410 0.145 Uiso 1 1 calc R . .
H46B H 0.3713 0.9380 0.1284 0.145 Uiso 1 1 calc R . .
H46C H 0.3365 0.9737 0.1854 0.145 Uiso 1 1 calc R . .
C47 C 0.4399(7) 0.8948(11) 0.2269(8) 0.124(6) Uani 1 1 d . . .
H47A H 0.4630 0.9214 0.1944 0.186 Uiso 1 1 calc R . .
H47B H 0.4693 0.8514 0.2522 0.186 Uiso 1 1 calc R . .
H47C H 0.4262 0.9471 0.2522 0.186 Uiso 1 1 calc R . .
C48 C 0.4015(7) 0.7643(10) 0.1557(7) 0.097(4) Uani 1 1 d . . .
H48A H 0.4293 0.7935 0.1276 0.146 Uiso 1 1 calc R . .
H48B H 0.3620 0.7368 0.1324 0.146 Uiso 1 1 calc R . .
H48C H 0.4262 0.7135 0.1791 0.146 Uiso 1 1 calc R . .
C49 C 0.1294(6) 0.3430(7) -0.0163(4) 0.063(3) Uani 1 1 d . . .
C50 C 0.0730(6) 0.4034(9) 0.0035(5) 0.080(3) Uani 1 1 d . . .
H50A H 0.0913 0.4598 0.0261 0.120 Uiso 1 1 calc R . .
H50B H 0.0479 0.3649 0.0297 0.120 Uiso 1 1 calc R . .
H50C H 0.0438 0.4242 -0.0326 0.120 Uiso 1 1 calc R . .
C51 C 0.1751(7) 0.4155(8) -0.0440(5) 0.085(4) Uani 1 1 d . . .
H51A H 0.1493 0.4519 -0.0766 0.127 Uiso 1 1 calc R . .
H51B H 0.2105 0.3807 -0.0607 0.127 Uiso 1 1 calc R . .
H51C H 0.1942 0.4597 -0.0122 0.127 Uiso 1 1 calc R . .
C52 C 0.1011(7) 0.2729(8) -0.0680(5) 0.079(3) Uani 1 1 d . . .
H52A H 0.0871 0.3095 -0.1052 0.118 Uiso 1 1 calc R . .
H52B H 0.0632 0.2385 -0.0554 0.118 Uiso 1 1 calc R . .
H52C H 0.1352 0.2268 -0.0759 0.118 Uiso 1 1 calc R . .
C53 C 0.1278(7) 0.1797(7) 0.0808(5) 0.069(3) Uani 1 1 d . . .
C54 C 0.0549(7) 0.2162(10) 0.0847(7) 0.102(4) Uani 1 1 d . . .
H54A H 0.0342 0.2336 0.0438 0.153 Uiso 1 1 calc R . .
H54B H 0.0562 0.2724 0.1114 0.153 Uiso 1 1 calc R . .
H54C H 0.0294 0.1651 0.1012 0.153 Uiso 1 1 calc R . .
C55 C 0.1198(8) 0.0899(8) 0.0372(6) 0.100(5) Uani 1 1 d . . .
H55A H 0.0927 0.0414 0.0543 0.150 Uiso 1 1 calc R . .
H55B H 0.1634 0.0631 0.0331 0.150 Uiso 1 1 calc R . .
H55C H 0.0984 0.1096 -0.0030 0.150 Uiso 1 1 calc R . .
C56 C 0.1583(9) 0.1471(9) 0.1481(6) 0.110(6) Uani 1 1 d . . .
H56A H 0.1623 0.2030 0.1751 0.166 Uiso 1 1 calc R . .
H56B H 0.2020 0.1188 0.1465 0.166 Uiso 1 1 calc R . .
H56C H 0.1293 0.0995 0.1637 0.166 Uiso 1 1 calc R . .
C57 C 0.2613(7) 0.2316(9) 0.0269(5) 0.076(3) Uani 1 1 d . . .
C58 C 0.2935(8) 0.1538(10) 0.0778(6) 0.108(5) Uani 1 1 d . . .
H58A H 0.3355 0.1302 0.0663 0.162 Uiso 1 1 calc R . .
H58B H 0.2631 0.0998 0.0797 0.162 Uiso 1 1 calc R . .
H58C H 0.3012 0.1848 0.1178 0.162 Uiso 1 1 calc R . .
C59 C 0.2537(8) 0.1791(10) -0.0348(5) 0.098(4) Uani 1 1 d . . .
H59A H 0.2962 0.1514 -0.0419 0.146 Uiso 1 1 calc R . .
H59B H 0.2392 0.2246 -0.0675 0.146 Uiso 1 1 calc R . .
H59C H 0.2210 0.1279 -0.0343 0.146 Uiso 1 1 calc R . .
C60 C 0.3147(7) 0.3133(11) 0.0330(7) 0.101(4) Uani 1 1 d . . .
H60A H 0.3585 0.2851 0.0323 0.152 Uiso 1 1 calc R . .
H60B H 0.3133 0.3474 0.0716 0.152 Uiso 1 1 calc R . .
H60C H 0.3055 0.3584 -0.0009 0.152 Uiso 1 1 calc R . .
C65 C 0.4793(13) 0.010(2) 0.4725(10) 0.198(11) Uiso 1 1 d . . .
H65A H 0.4323 0.0052 0.4788 0.237 Uiso 1 1 calc R . .
H65B H 0.4880 -0.0349 0.4399 0.237 Uiso 1 1 calc R . .
C66 C 0.4948(17) 0.107(2) 0.4560(14) 0.252(14) Uiso 1 1 d . . .
H66A H 0.5403 0.1112 0.4451 0.302 Uiso 1 1 calc R . .
H66B H 0.4908 0.1519 0.4903 0.302 Uiso 1 1 calc R . .
C67 C 0.4461(12) 0.1320(17) 0.4026(10) 0.186(9) Uiso 1 1 d . . .
H67A H 0.4172 0.0769 0.3920 0.279 Uiso 1 1 calc R . .
H67B H 0.4694 0.1485 0.3678 0.279 Uiso 1 1 calc R . .
H67C H 0.4195 0.1869 0.4127 0.279 Uiso 1 1 calc R . .
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
P1 Pt1 Sb2 112.37(6) . . ?
P1 Pt1 Sb1 176.91(6) . . ?
Sb2 Pt1 Sb1 69.286(18) . . ?
P1 Pt1 Re1 122.69(6) . . ?
Sb2 Pt1 Re1 123.257(17) . . ?
Sb1 Pt1 Re1 56.427(15) . . ?
P1 Pt1 H1 92.0(4) . . ?
Sb2 Pt1 H1 151(2) . . ?
Sb1 Pt1 H1 87.2(4) . . ?
Re1 Pt1 H1 30.7(4) . . ?
P2 Pt2 Sb1 112.18(6) . . ?
P2 Pt2 Sb2 178.22(5) . . ?
Sb1 Pt2 Sb2 69.282(18) . . ?
P2 Pt2 Re2 122.28(6) . . ?
Sb1 Pt2 Re2 123.482(17) . . ?
Sb2 Pt2 Re2 56.603(15) . . ?
P2 Pt2 H2 87(2) . . ?
Sb1 Pt2 H2 158(2) . . ?
Sb2 Pt2 H2 92(2) . . ?
Re2 Pt2 H2 36(2) . . ?
C12 Re1 C13 92.8(5) . . ?
C12 Re1 C11 92.0(4) . . ?
C13 Re1 C11 90.0(4) . . ?
C12 Re1 C14 90.1(5) . . ?
C13 Re1 C14 92.7(5) . . ?
C11 Re1 C14 176.5(4) . . ?
C12 Re1 Sb1 168.7(4) . . ?
C13 Re1 Sb1 98.3(3) . . ?
C11 Re1 Sb1 90.4(3) . . ?
C14 Re1 Sb1 87.0(3) . . ?
C12 Re1 Pt1 113.9(3) . . ?
C13 Re1 Pt1 153.1(3) . . ?
C11 Re1 Pt1 92.5(3) . . ?
C14 Re1 Pt1 84.1(3) . . ?
Sb1 Re1 Pt1 54.946(14) . . ?
C12 Re1 H1 83.2(6) . . ?
C13 Re1 H1 175(2) . . ?
C11 Re1 H1 92(4) . . ?
C14 Re1 H1 85(4) . . ?
Sb1 Re1 H1 85.6(4) . . ?
Pt1 Re1 H1 30.7(4) . . ?
C23 Re2 C22 95.0(4) . . ?
C23 Re2 C21 90.2(4) . . ?
C22 Re2 C21 92.5(4) . . ?
C23 Re2 C24 90.8(4) . . ?
C22 Re2 C24 93.3(5) . . ?
C21 Re2 C24 174.0(4) . . ?
C23 Re2 Sb2 169.4(3) . . ?
C22 Re2 Sb2 95.5(3) . . ?
C21 Re2 Sb2 91.1(3) . . ?
C24 Re2 Sb2 86.9(3) . . ?
C23 Re2 Pt2 114.0(3) . . ?
C22 Re2 Pt2 150.9(3) . . ?
C21 Re2 Pt2 90.7(3) . . ?
C24 Re2 Pt2 83.5(3) . . ?
Sb2 Re2 Pt2 55.470(14) . . ?
C23 Re2 H2 84(2) . . ?
C22 Re2 H2 177(2) . . ?
C21 Re2 H2 85(2) . . ?
C24 Re2 H2 90(2) . . ?
Sb2 Re2 H2 85(2) . . ?
Pt2 Re2 H2 30(2) . . ?
C25 Sb1 Pt2 112.2(2) . . ?
C25 Sb1 Pt1 104.4(2) . . ?
Pt2 Sb1 Pt1 102.43(2) . . ?
C25 Sb1 Re1 115.0(2) . . ?
Pt2 Sb1 Re1 132.62(3) . . ?
Pt1 Sb1 Re1 68.627(17) . . ?
C25 Sb1 Sb2 94.8(2) . . ?
Pt2 Sb1 Sb2 56.342(15) . . ?
Pt1 Sb1 Sb2 54.614(15) . . ?
Re1 Sb1 Sb2 120.91(2) . . ?
C31 Sb2 Pt1 113.6(2) . . ?
C31 Sb2 Pt2 107.7(2) . . ?
Pt1 Sb2 Pt2 102.01(2) . . ?
C31 Sb2 Re2 113.3(2) . . ?
Pt1 Sb2 Re2 132.81(3) . . ?
Pt2 Sb2 Re2 67.927(16) . . ?
C31 Sb2 Sb1 99.0(2) . . ?
Pt1 Sb2 Sb1 56.100(16) . . ?
Pt2 Sb2 Sb1 54.376(15) . . ?
Re2 Sb2 Sb1 120.07(2) . . ?
C37 P1 C41 108.5(6) . . ?
C37 P1 C45 107.9(6) . . ?
C41 P1 C45 108.8(5) . . ?
C37 P1 Pt1 115.0(3) . . ?
C41 P1 Pt1 107.3(4) . . ?
C45 P1 Pt1 109.1(3) . . ?
C53 P2 C49 106.8(5) . . ?
C53 P2 C57 108.9(5) . . ?
C49 P2 C57 106.8(5) . . ?
C53 P2 Pt2 108.0(3) . . ?
C49 P2 Pt2 116.2(3) . . ?
C57 P2 Pt2 109.9(4) . . ?
O11 C11 Re1 177.9(11) . . ?
O12 C12 Re1 177.9(11) . . ?
O13 C13 Re1 179.1(11) . . ?
O14 C14 Re1 178.8(11) . . ?
O21 C21 Re2 176.5(9) . . ?
O22 C22 Re2 179.3(12) . . ?
O23 C23 Re2 178.3(10) . . ?
O24 C24 Re2 178.2(11) . . ?
C30 C25 C26 117.4(9) . . ?
C30 C25 Sb1 123.9(7) . . ?
C26 C25 Sb1 118.6(7) . . ?
C27 C26 C25 120.9(10) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 118.5(11) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
C29 C28 C27 122.2(11) . . ?
C29 C28 H28 118.9 . . ?
C27 C28 H28 118.9 . . ?
C28 C29 C30 119.2(11) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 H29 120.4 . . ?
C25 C30 C29 121.6(10) . . ?
C25 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C32 C31 C36 115.1(9) . . ?
C32 C31 Sb2 123.2(6) . . ?
C36 C31 Sb2 121.5(7) . . ?
C31 C32 C33 122.0(9) . . ?
C31 C32 H32 119.0 . . ?
C33 C32 H32 119.0 . . ?
C34 C33 C32 119.7(10) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C33 C34 C35 118.5(10) . . ?
C33 C34 H34 120.8 . . ?
C35 C34 H34 120.8 . . ?
C36 C35 C34 121.8(10) . . ?
C36 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C35 C36 C31 122.8(10) . . ?
C35 C36 H36 118.6 . . ?
C31 C36 H36 118.6 . . ?
C39 C37 C38 106.1(10) . . ?
C39 C37 C40 106.9(11) . . ?
C38 C37 C40 108.4(11) . . ?
C39 C37 P1 112.9(8) . . ?
C38 C37 P1 106.9(9) . . ?
C40 C37 P1 115.2(8) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C43 105.6(11) . . ?
C42 C41 C44 107.3(10) . . ?
C43 C41 C44 109.2(11) . . ?
C42 C41 P1 109.3(8) . . ?
C43 C41 P1 109.6(8) . . ?
C44 C41 P1 115.4(9) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C45 C46 101.2(11) . . ?
C47 C45 C48 109.7(11) . . ?
C46 C45 C48 106.4(11) . . ?
C47 C45 P1 120.3(10) . . ?
C46 C45 P1 110.6(9) . . ?
C48 C45 P1 107.8(8) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C51 105.3(9) . . ?
C50 C49 C52 109.2(10) . . ?
C51 C49 C52 107.8(9) . . ?
C50 C49 P2 110.2(7) . . ?
C51 C49 P2 107.4(8) . . ?
C52 C49 P2 116.3(7) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C55 C53 C54 105.1(10) . . ?
C55 C53 C56 110.0(9) . . ?
C54 C53 C56 107.6(11) . . ?
C55 C53 P2 115.9(8) . . ?
C54 C53 P2 109.4(7) . . ?
C56 C53 P2 108.6(8) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C57 C60 114.6(11) . . ?
C59 C57 C58 106.3(10) . . ?
C60 C57 C58 101.8(11) . . ?
C59 C57 P2 117.2(10) . . ?
C60 C57 P2 107.4(8) . . ?
C58 C57 P2 108.2(8) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C65 C65 C66 106(3) 3_656 . ?
C65 C65 H65A 110.5 3_656 . ?
C66 C65 H65A 110.5 . . ?
C65 C65 H65B 110.5 3_656 . ?
C66 C65 H65B 110.5 . . ?
H65A C65 H65B 108.7 . . ?
C65 C66 C67 106(3) . . ?
C65 C66 H66A 110.6 . . ?
C67 C66 H66A 110.6 . . ?
C65 C66 H66B 110.6 . . ?
C67 C66 H66B 110.6 . . ?
H66A C66 H66B 108.8 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
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 P1 2.367(2) . ?
Pt1 Sb2 2.6003(6) . ?
Pt1 Sb1 2.6474(6) . ?
Pt1 Re1 3.0116(5) . ?
Pt1 H1 1.750(10) . ?
Pt2 P2 2.370(2) . ?
Pt2 Sb1 2.5927(6) . ?
Pt2 Sb2 2.6549(6) . ?
Pt2 Re2 2.9865(5) . ?
Pt2 H2 1.65(7) . ?
Re1 C12 1.941(11) . ?
Re1 C13 1.951(12) . ?
Re1 C11 1.994(10) . ?
Re1 C14 2.004(12) . ?
Re1 Sb1 2.6945(6) . ?
Re1 H1 1.753(10) . ?
Re2 C23 1.910(10) . ?
Re2 C22 1.916(10) . ?
Re2 C21 1.985(11) . ?
Re2 C24 2.011(13) . ?
Re2 Sb2 2.6905(6) . ?
Re2 H2 1.91(6) . ?
Sb1 C25 2.153(8) . ?
Sb1 Sb2 2.9834(7) . ?
Sb2 C31 2.116(9) . ?
P1 C37 1.909(12) . ?
P1 C41 1.927(11) . ?
P1 C45 1.936(11) . ?
P2 C53 1.907(10) . ?
P2 C49 1.917(9) . ?
P2 C57 1.936(12) . ?
O11 C11 1.110(12) . ?
O12 C12 1.150(12) . ?
O13 C13 1.128(12) . ?
O14 C14 1.123(13) . ?
O21 C21 1.137(12) . ?
O22 C22 1.120(11) . ?
O23 C23 1.172(12) . ?
O24 C24 1.108(13) . ?
C25 C30 1.346(12) . ?
C25 C26 1.417(13) . ?
C26 C27 1.380(15) . ?
C26 H26 0.9300 . ?
C27 C28 1.355(17) . ?
C27 H27 0.9300 . ?
C28 C29 1.343(17) . ?
C28 H28 0.9300 . ?
C29 C30 1.394(15) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.380(12) . ?
C31 C36 1.383(12) . ?
C32 C33 1.409(15) . ?
C32 H32 0.9300 . ?
C33 C34 1.353(14) . ?
C33 H33 0.9300 . ?
C34 C35 1.360(14) . ?
C34 H34 0.9300 . ?
C35 C36 1.344(15) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C39 1.508(18) . ?
C37 C38 1.515(18) . ?
C37 C40 1.598(15) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 C42 1.506(16) . ?
C41 C43 1.532(18) . ?
C41 C44 1.539(15) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C47 1.453(16) . ?
C45 C46 1.490(16) . ?
C45 C48 1.508(16) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 C50 1.503(15) . ?
C49 C51 1.520(16) . ?
C49 C52 1.528(13) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C55 1.544(14) . ?
C53 C54 1.553(17) . ?
C53 C56 1.574(16) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C59 1.508(14) . ?
C57 C60 1.539(18) . ?
C57 C58 1.610(16) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C65 C65 1.40(4) 3_656 ?
C65 C66 1.42(3) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 C67 1.46(3) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
