#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/91/4109150.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_4109150
loop_
_publ_author_name
'Richard D. Adams'
'Burjor Captain'
'Lei Zhu'
_publ_section_title
;
 Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster
 Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2454
_journal_page_last               2455
_journal_paper_doi               10.1021/ja0688272
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C36 H63 O10.5 Os3 P2 Pt2'
_chemical_formula_weight         1686.58
_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                 103.7870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7485(8)
_cell_length_b                   15.9787(8)
_cell_length_c                   18.2023(9)
_cell_measurement_reflns_used    8422
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.30
_cell_volume                     4730.9(4)
_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      150(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  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            64567
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    14.037
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            GoldenYellow
_exptl_crystal_density_diffrn    2.368
_exptl_crystal_description       block
_exptl_crystal_F_000             3108
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.600
_refine_diff_density_min         -1.280
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         11803
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0271P)²+11.4916P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                11063
_reflns_number_total             11803
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0688272si20061210_054624.cif
_cod_data_source_block           p21c
_cod_original_formula_sum        'C36 H63 O10.50 Os3 P2 Pt2'
_cod_database_code               4109150
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
Pt1 Pt 0.343502(9) 0.201173(9) 0.224819(8) 0.01372(4) Uani 1 1 d .
Pt2 Pt 0.040478(9) 0.298259(10) 0.112589(9) 0.01625(4) Uani 1 1 d .
Os1 Os 0.219424(9) 0.277788(10) 0.276923(8) 0.01577(4) Uani 1 1 d .
Os2 Os 0.195914(9) 0.366311(9) 0.136898(8) 0.01424(4) Uani 1 1 d .
Os3 Os 0.177904(9) 0.184510(9) 0.133964(8) 0.01467(4) Uani 1 1 d .
P1 P 0.44790(6) 0.13208(6) 0.17961(6) 0.01588(19) Uani 1 1 d .
P2 P -0.09321(6) 0.23723(7) 0.08113(6) 0.0187(2) Uani 1 1 d .
O11 O 0.3116(2) 0.4285(2) 0.35879(19) 0.0301(7) Uani 1 1 d .
O12 O 0.2498(3) 0.1730(3) 0.4203(2) 0.0479(11) Uani 1 1 d .
O13 O 0.0583(2) 0.3469(3) 0.3012(2) 0.0426(10) Uani 1 1 d .
O21 O 0.1767(2) 0.5275(2) 0.2207(2) 0.0315(7) Uani 1 1 d .
O22 O 0.37908(19) 0.3978(2) 0.1590(2) 0.0290(7) Uani 1 1 d .
O23 O 0.1505(2) 0.4448(2) -0.0202(2) 0.0370(8) Uani 1 1 d .
O31 O 0.1593(2) 0.1352(2) -0.02963(19) 0.0339(8) Uani 1 1 d .
O32 O 0.1497(3) 0.0037(2) 0.1715(2) 0.0416(9) Uani 1 1 d .
O41 O 0.4374(2) 0.2651(2) 0.37466(18) 0.0314(8) Uani 1 1 d .
O42 O 0.0057(2) 0.4822(2) 0.1018(3) 0.0478(11) Uani 1 1 d .
C11 C 0.2779(3) 0.3717(3) 0.3272(2) 0.0199(8) Uani 1 1 d .
C12 C 0.2387(3) 0.2095(3) 0.3650(3) 0.0249(9) Uani 1 1 d .
C13 C 0.1182(3) 0.3211(3) 0.2901(3) 0.0274(10) Uani 1 1 d .
C21 C 0.1820(3) 0.4662(3) 0.1901(2) 0.0213(8) Uani 1 1 d .
C22 C 0.3102(3) 0.3845(3) 0.1522(2) 0.0192(8) Uani 1 1 d .
C23 C 0.1663(3) 0.4138(3) 0.0374(2) 0.0215(8) Uani 1 1 d .
C31 C 0.1673(3) 0.1542(3) 0.0322(2) 0.0207(8) Uani 1 1 d .
C32 C 0.1596(3) 0.0730(3) 0.1586(3) 0.0254(9) Uani 1 1 d .
C41 C 0.3976(3) 0.2440(3) 0.3167(2) 0.0213(8) Uani 1 1 d .
C42 C 0.0211(3) 0.4124(3) 0.1073(3) 0.0285(10) Uani 1 1 d .
C43 C 0.5532(3) 0.1453(3) 0.2487(3) 0.0262(10) Uani 1 1 d .
C44 C 0.5690(3) 0.2397(3) 0.2673(3) 0.0332(11) Uani 1 1 d .
H44A H 0.5164 0.2696 0.2571 0.050 Uiso 1 1 calc R
H44B H 0.6035 0.2629 0.2357 0.050 Uiso 1 1 calc R
H44C H 0.5970 0.2461 0.3208 0.050 Uiso 1 1 calc R
C45 C 0.5520(3) 0.1002(4) 0.3228(3) 0.0383(13) Uani 1 1 d .
H45A H 0.6002 0.1170 0.3621 0.058 Uiso 1 1 calc R
H45B H 0.5532 0.0396 0.3151 0.058 Uiso 1 1 calc R
H45C H 0.5018 0.1152 0.3385 0.058 Uiso 1 1 calc R
C46 C 0.6279(3) 0.1123(4) 0.2217(3) 0.0397(13) Uani 1 1 d .
H46A H 0.6781 0.1214 0.2613 0.060 Uiso 1 1 calc R
H46B H 0.6320 0.1422 0.1757 0.060 Uiso 1 1 calc R
H46C H 0.6210 0.0523 0.2108 0.060 Uiso 1 1 calc R
C47 C 0.4206(3) 0.0157(3) 0.1714(3) 0.0234(9) Uani 1 1 d .
C48 C 0.3857(4) -0.0090(3) 0.2391(3) 0.0358(12) Uani 1 1 d .
H48A H 0.3671 -0.0673 0.2335 0.054 Uiso 1 1 calc R
H48B H 0.3393 0.0275 0.2410 0.054 Uiso 1 1 calc R
H48C H 0.4286 -0.0029 0.2859 0.054 Uiso 1 1 calc R
C49 C 0.3517(3) -0.0005(3) 0.1000(3) 0.0311(11) Uani 1 1 d .
H49A H 0.3318 -0.0581 0.1008 0.047 Uiso 1 1 calc R
H49B H 0.3732 0.0077 0.0549 0.047 Uiso 1 1 calc R
H49C H 0.3063 0.0385 0.0987 0.047 Uiso 1 1 calc R
C50 C 0.4910(3) -0.0443(3) 0.1680(3) 0.0327(11) Uani 1 1 d .
H50A H 0.5328 -0.0419 0.2159 0.049 Uiso 1 1 calc R
H50B H 0.5156 -0.0279 0.1265 0.049 Uiso 1 1 calc R
H50C H 0.4697 -0.1015 0.1596 0.049 Uiso 1 1 calc R
C51 C 0.4580(3) 0.1717(3) 0.0835(2) 0.0240(9) Uani 1 1 d .
C52 C 0.3716(3) 0.1895(3) 0.0337(3) 0.0291(10) Uani 1 1 d .
H52A H 0.3762 0.2080 -0.0164 0.044 Uiso 1 1 calc R
H52B H 0.3453 0.2335 0.0572 0.044 Uiso 1 1 calc R
H52C H 0.3384 0.1384 0.0287 0.044 Uiso 1 1 calc R
C53 C 0.5045(3) 0.2560(3) 0.0916(3) 0.0342(11) Uani 1 1 d .
H53A H 0.5004 0.2801 0.0414 0.051 Uiso 1 1 calc R
H53B H 0.5624 0.2467 0.1165 0.051 Uiso 1 1 calc R
H53C H 0.4801 0.2945 0.1220 0.051 Uiso 1 1 calc R
C54 C 0.5027(3) 0.1111(4) 0.0408(3) 0.0342(11) Uani 1 1 d .
H54A H 0.4711 0.0591 0.0297 0.051 Uiso 1 1 calc R
H54B H 0.5576 0.0986 0.0722 0.051 Uiso 1 1 calc R
H54C H 0.5078 0.1371 -0.0067 0.051 Uiso 1 1 calc R
C55 C -0.0943(3) 0.1197(3) 0.1000(3) 0.0265(9) Uani 1 1 d .
C56 C -0.0418(3) 0.1000(3) 0.1800(3) 0.0334(11) Uani 1 1 d .
H56A H -0.0282 0.0402 0.1836 0.050 Uiso 1 1 calc R
H56B H -0.0730 0.1142 0.2176 0.050 Uiso 1 1 calc R
H56C H 0.0089 0.1329 0.1897 0.050 Uiso 1 1 calc R
C57 C -0.0545(3) 0.0723(3) 0.0442(3) 0.0355(12) Uani 1 1 d .
H57A H -0.0026 0.0994 0.0422 0.053 Uiso 1 1 calc R
H57B H -0.0918 0.0731 -0.0063 0.053 Uiso 1 1 calc R
H57C H -0.0439 0.0143 0.0611 0.053 Uiso 1 1 calc R
C58 C -0.1804(3) 0.0802(4) 0.0933(4) 0.0400(13) Uani 1 1 d .
H58A H -0.2153 0.0917 0.0429 0.060 Uiso 1 1 calc R
H58B H -0.2056 0.1044 0.1318 0.060 Uiso 1 1 calc R
H58C H -0.1748 0.0196 0.1008 0.060 Uiso 1 1 calc R
C59 C -0.1674(3) 0.2886(3) 0.1337(3) 0.0267(10) Uani 1 1 d .
C60 C -0.2583(3) 0.2757(4) 0.0952(3) 0.0356(12) Uani 1 1 d .
H60A H -0.2924 0.2999 0.1266 0.053 Uiso 1 1 calc R
H60B H -0.2698 0.2156 0.0886 0.053 Uiso 1 1 calc R
H60C H -0.2709 0.3031 0.0456 0.053 Uiso 1 1 calc R
C61 C -0.1496(3) 0.3824(3) 0.1433(3) 0.0331(11) Uani 1 1 d .
H61A H -0.1527 0.4077 0.0936 0.050 Uiso 1 1 calc R
H61B H -0.0944 0.3908 0.1756 0.050 Uiso 1 1 calc R
H61C H -0.1903 0.4087 0.1667 0.050 Uiso 1 1 calc R
C62 C -0.1508(3) 0.2537(4) 0.2144(3) 0.0365(12) Uani 1 1 d .
H62A H -0.1813 0.2865 0.2441 0.055 Uiso 1 1 calc R
H62B H -0.0918 0.2570 0.2379 0.055 Uiso 1 1 calc R
H62C H -0.1686 0.1951 0.2128 0.055 Uiso 1 1 calc R
C63 C -0.1318(3) 0.2568(3) -0.0246(3) 0.0299(10) Uani 1 1 d .
C64 C -0.1541(3) 0.3492(4) -0.0394(3) 0.0389(13) Uani 1 1 d .
H64A H -0.1080 0.3842 -0.0132 0.058 Uiso 1 1 calc R
H64B H -0.2029 0.3623 -0.0207 0.058 Uiso 1 1 calc R
H64C H -0.1657 0.3603 -0.0939 0.058 Uiso 1 1 calc R
C65 C -0.0612(4) 0.2391(4) -0.0632(3) 0.0395(13) Uani 1 1 d .
H65A H -0.0777 0.2564 -0.1164 0.059 Uiso 1 1 calc R
H65B H -0.0487 0.1792 -0.0604 0.059 Uiso 1 1 calc R
H65C H -0.0123 0.2706 -0.0375 0.059 Uiso 1 1 calc R
C66 C -0.2071(3) 0.2035(4) -0.0655(3) 0.0417(14) Uani 1 1 d .
H66A H -0.2516 0.2098 -0.0394 0.063 Uiso 1 1 calc R
H66B H -0.1911 0.1444 -0.0650 0.063 Uiso 1 1 calc R
H66C H -0.2261 0.2226 -0.1180 0.063 Uiso 1 1 calc R
H1 H 0.286(3) 0.154(4) 0.139(3) 0.038(15) Uiso 1 1 d .
H2 H 0.079(4) 0.194(4) 0.112(4) 0.047(18) Uiso 1 1 d .
H3 H 0.169(3) 0.196(3) 0.231(3) 0.015(12) Uiso 1 1 d .
H4 H 0.208(3) 0.289(3) 0.089(3) 0.029(14) Uiso 1 1 d .
O1S O 0.5000 0.0000 0.5000 0.089(3) Uiso 1 2 d S
C1S C 0.4292(10) 0.0125(13) 0.4770(12) 0.202(8) Uiso 1 1 d D
H1S1 H 0.4320 0.0524 0.4360 0.242 Uiso 1 1 calc R
H1S2 H 0.4202 0.0488 0.5184 0.242 Uiso 1 1 calc R
C2S C 0.3537(8) -0.0140(9) 0.4512(8) 0.126(4) Uiso 1 1 d D
H2S1 H 0.3530 -0.0581 0.4136 0.189 Uiso 1 1 calc R
H2S2 H 0.3189 0.0327 0.4276 0.189 Uiso 1 1 calc R
H2S3 H 0.3328 -0.0364 0.4931 0.189 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'
Os Os -1.2165 7.6030 '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_3
C41 Pt1 P1 104.19(13) .
C41 Pt1 Os1 76.72(13) .
P1 Pt1 Os1 178.47(3) .
C41 Pt1 Os3 139.11(13) .
P1 Pt1 Os3 116.45(3) .
Os1 Pt1 Os3 62.552(6) .
C41 Pt1 H1 175.0(18) .
P1 Pt1 H1 78.0(18) .
Os1 Pt1 H1 101.0(18) .
Os3 Pt1 H1 38.4(18) .
C42 Pt2 P2 104.36(14) .
C42 Pt2 Os2 76.50(13) .
P2 Pt2 Os2 175.28(3) .
C42 Pt2 Os3 138.74(13) .
P2 Pt2 Os3 116.63(3) .
Os2 Pt2 Os3 62.264(6) .
C42 Pt2 H2 168(2) .
P2 Pt2 H2 87(2) .
Os2 Pt2 H2 92(2) .
Os3 Pt2 H2 30(2) .
C13 Os1 C12 94.6(2) .
C13 Os1 C11 91.44(19) .
C12 Os1 C11 94.77(19) .
C13 Os1 Pt1 166.09(13) .
C12 Os1 Pt1 92.55(14) .
C11 Os1 Pt1 99.84(12) .
C13 Os1 Os2 89.70(15) .
C12 Os1 Os2 174.15(14) .
C11 Os1 Os2 89.09(12) .
Pt1 Os1 Os2 82.441(6) .
C13 Os1 Os3 105.47(13) .
C12 Os1 Os3 114.35(14) .
C11 Os1 Os3 144.36(12) .
Pt1 Os1 Os3 60.662(6) .
Os2 Os1 Os3 60.504(6) .
C13 Os1 H3 89.4(16) .
C12 Os1 H3 86.3(16) .
C11 Os1 H3 178.6(16) .
Pt1 Os1 H3 79.2(16) .
Os2 Os1 H3 89.8(16) .
Os3 Os1 H3 34.3(16) .
C22 Os2 C21 92.19(18) .
C22 Os2 C23 95.90(18) .
C21 Os2 C23 96.48(18) .
C22 Os2 Pt2 165.57(12) .
C21 Os2 Pt2 100.74(13) .
C23 Os2 Pt2 89.02(13) .
C22 Os2 Os1 91.46(12) .
C21 Os2 Os1 88.22(13) .
C23 Os2 Os1 171.10(13) .
Pt2 Os2 Os1 82.655(6) .
C22 Os2 Os3 104.63(12) .
C21 Os2 Os3 144.71(13) .
C23 Os2 Os3 111.99(13) .
Pt2 Os2 Os3 61.010(5) .
Os1 Os2 Os3 61.036(5) .
C22 Os2 H4 87(2) .
C21 Os2 H4 176(2) .
C23 Os2 H4 80(2) .
Pt2 Os2 H4 81(2) .
Os1 Os2 H4 96(2) .
Os3 Os2 H4 39(2) .
C32 Os3 C31 90.47(19) .
C32 Os3 Pt1 98.06(14) .
C31 Os3 Pt1 116.14(13) .
C32 Os3 Pt2 117.30(14) .
C31 Os3 Pt2 98.30(13) .
Pt1 Os3 Pt2 130.285(7) .
C32 Os3 Os2 163.83(14) .
C31 Os3 Os2 105.03(13) .
Pt1 Os3 Os2 79.430(6) .
Pt2 Os3 Os2 56.727(5) .
C32 Os3 Os1 106.71(14) .
C31 Os3 Os1 161.88(13) .
Pt1 Os3 Os1 56.787(5) .
Pt2 Os3 Os1 79.194(6) .
Os2 Os3 Os1 58.460(5) .
C32 Os3 H1 86.9(18) .
C31 Os3 H1 81.0(18) .
Pt1 Os3 H1 37.2(18) .
Pt2 Os3 H1 155.8(18) .
Os2 Os3 H1 99.8(18) .
Os1 Os3 H1 93.9(18) .
C32 Os3 H2 86(2) .
C31 Os3 H2 86(2) .
Pt1 Os3 H2 157(2) .
Pt2 Os3 H2 34(2) .
Os2 Os3 H2 90(2) .
Os1 Os3 H2 101(2) .
H1 Os3 H2 165(3) .
C32 Os3 H3 78.9(14) .
C31 Os3 H3 166.6(15) .
Pt1 Os3 H3 73.9(15) .
Pt2 Os3 H3 79.7(15) .
Os2 Os3 H3 85.1(14) .
Os1 Os3 H3 31.1(14) .
H1 Os3 H3 106(2) .
H2 Os3 H3 85(3) .
C32 Os3 H4 166.3(16) .
C31 Os3 H4 77.5(16) .
Pt1 Os3 H4 81.7(16) .
Pt2 Os3 H4 71.6(16) .
Os2 Os3 H4 29.7(16) .
Os1 Os3 H4 84.7(16) .
H1 Os3 H4 85(2) .
H2 Os3 H4 99(3) .
H3 Os3 H4 114(2) .
C51 P1 C47 108.9(2) .
C51 P1 C43 107.2(2) .
C47 P1 C43 108.9(2) .
C51 P1 Pt1 113.42(14) .
C47 P1 Pt1 107.26(14) .
C43 P1 Pt1 111.09(14) .
C63 P2 C55 109.1(2) .
C63 P2 C59 109.2(2) .
C55 P2 C59 107.2(2) .
C63 P2 Pt2 104.41(15) .
C55 P2 Pt2 114.05(15) .
C59 P2 Pt2 112.79(15) .
O11 C11 Os1 178.0(4) .
O12 C12 Os1 175.7(5) .
O13 C13 Os1 177.1(4) .
O21 C21 Os2 176.7(4) .
O22 C22 Os2 177.2(4) .
O23 C23 Os2 177.2(4) .
O31 C31 Os3 178.6(4) .
O32 C32 Os3 177.3(4) .
O41 C41 Pt1 173.3(4) .
O42 C42 Pt2 176.8(4) .
C45 C43 C46 107.6(4) .
C45 C43 C44 107.5(4) .
C46 C43 C44 107.0(4) .
C45 C43 P1 108.8(4) .
C46 C43 P1 116.3(3) .
C44 C43 P1 109.4(3) .
C43 C44 H44A 109.5 .
C43 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
C43 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
C43 C45 H45A 109.5 .
C43 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C43 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
C43 C46 H46A 109.5 .
C43 C46 H46B 109.5 .
H46A C46 H46B 109.5 .
C43 C46 H46C 109.5 .
H46A C46 H46C 109.5 .
H46B C46 H46C 109.5 .
C50 C47 C48 108.4(4) .
C50 C47 C49 106.9(4) .
C48 C47 C49 106.4(4) .
C50 C47 P1 116.0(3) .
C48 C47 P1 108.5(3) .
C49 C47 P1 110.2(3) .
C47 C48 H48A 109.5 .
C47 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C47 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
C47 C49 H49A 109.5 .
C47 C49 H49B 109.5 .
H49A C49 H49B 109.5 .
C47 C49 H49C 109.5 .
H49A C49 H49C 109.5 .
H49B C49 H49C 109.5 .
C47 C50 H50A 109.5 .
C47 C50 H50B 109.5 .
H50A C50 H50B 109.5 .
C47 C50 H50C 109.5 .
H50A C50 H50C 109.5 .
H50B C50 H50C 109.5 .
C52 C51 C54 108.6(4) .
C52 C51 C53 106.0(4) .
C54 C51 C53 107.5(4) .
C52 C51 P1 109.0(3) .
C54 C51 P1 114.5(3) .
C53 C51 P1 110.8(3) .
C51 C52 H52A 109.5 .
C51 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C51 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C51 C53 H53A 109.5 .
C51 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
C51 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C51 C54 H54A 109.5 .
C51 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C51 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C57 C55 C56 106.5(4) .
C57 C55 C58 106.7(4) .
C56 C55 C58 107.5(4) .
C57 C55 P2 109.9(3) .
C56 C55 P2 110.1(3) .
C58 C55 P2 115.7(4) .
C55 C56 H56A 109.5 .
C55 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C55 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
C55 C57 H57A 109.5 .
C55 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C55 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
C55 C58 H58A 109.5 .
C55 C58 H58B 109.5 .
H58A C58 H58B 109.5 .
C55 C58 H58C 109.5 .
H58A C58 H58C 109.5 .
H58B C58 H58C 109.5 .
C61 C59 C60 109.3(4) .
C61 C59 C62 105.1(4) .
C60 C59 C62 108.9(4) .
C61 C59 P2 110.1(3) .
C60 C59 P2 113.9(4) .
C62 C59 P2 109.2(3) .
C59 C60 H60A 109.5 .
C59 C60 H60B 109.5 .
H60A C60 H60B 109.5 .
C59 C60 H60C 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
C59 C61 H61A 109.5 .
C59 C61 H61B 109.5 .
H61A C61 H61B 109.5 .
C59 C61 H61C 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
C59 C62 H62A 109.5 .
C59 C62 H62B 109.5 .
H62A C62 H62B 109.5 .
C59 C62 H62C 109.5 .
H62A C62 H62C 109.5 .
H62B C62 H62C 109.5 .
C64 C63 C65 106.1(4) .
C64 C63 C66 107.9(4) .
C65 C63 C66 107.7(4) .
C64 C63 P2 110.2(3) .
C65 C63 P2 108.6(3) .
C66 C63 P2 115.8(4) .
C63 C64 H64A 109.5 .
C63 C64 H64B 109.5 .
H64A C64 H64B 109.5 .
C63 C64 H64C 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
C63 C65 H65A 109.5 .
C63 C65 H65B 109.5 .
H65A C65 H65B 109.5 .
C63 C65 H65C 109.5 .
H65A C65 H65C 109.5 .
H65B C65 H65C 109.5 .
C63 C66 H66A 109.5 .
C63 C66 H66B 109.5 .
H66A C66 H66B 109.5 .
C63 C66 H66C 109.5 .
H66A C66 H66C 109.5 .
H66B C66 H66C 109.5 .
C1S O1S C1S 180(2) 3_656
O1S C1S C2S 151(2) .
O1S C1S H1S1 98.8 .
C2S C1S H1S1 98.8 .
O1S C1S H1S2 98.8 .
C2S C1S H1S2 98.8 .
H1S1 C1S H1S2 103.9 .
C1S C2S H2S1 109.5 .
C1S C2S H2S2 109.5 .
H2S1 C2S H2S2 109.5 .
C1S C2S H2S3 109.5 .
H2S1 C2S H2S3 109.5 .
H2S2 C2S H2S3 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C41 1.834(4) .
Pt1 P1 2.3746(10) .
Pt1 Os1 2.7670(2) .
Pt1 Os3 2.8831(2) .
Pt1 H1 1.80(6) .
Pt2 C42 1.852(5) .
Pt2 P2 2.3835(10) .
Pt2 Os2 2.7580(2) .
Pt2 Os3 2.8854(2) .
Pt2 H2 1.78(6) .
Os1 C13 1.899(5) .
Os1 C12 1.902(5) .
Os1 C11 1.904(4) .
Os1 Os2 2.8590(2) .
Os1 Os3 2.9349(2) .
Os1 H3 1.67(5) .
Os2 C22 1.891(4) .
Os2 C21 1.911(4) .
Os2 C23 1.916(4) .
Os2 Os3 2.9197(2) .
Os2 H4 1.55(5) .
Os3 C32 1.880(5) .
Os3 C31 1.882(4) .
Os3 H1 1.85(6) .
Os3 H2 1.61(6) .
Os3 H3 1.82(5) .
Os3 H4 1.98(5) .
P1 C51 1.905(4) .
P1 C47 1.913(4) .
P1 C43 1.918(5) .
P2 C63 1.904(5) .
P2 C55 1.910(5) .
P2 C59 1.924(5) .
O11 C11 1.148(5) .
O12 C12 1.140(6) .
O13 C13 1.146(6) .
O21 C21 1.140(5) .
O22 C22 1.150(5) .
O23 C23 1.133(5) .
O31 C31 1.142(5) .
O32 C32 1.153(6) .
O41 C41 1.156(5) .
O42 C42 1.143(6) .
C43 C45 1.533(7) .
C43 C46 1.542(6) .
C43 C44 1.555(7) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 C50 1.533(6) .
C47 C48 1.534(7) .
C47 C49 1.541(6) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 C52 1.540(6) .
C51 C54 1.543(6) .
C51 C53 1.545(7) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C57 1.540(7) .
C55 C56 1.544(7) .
C55 C58 1.553(6) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C61 1.529(7) .
C59 C60 1.531(7) .
C59 C62 1.534(7) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C64 1.532(8) .
C63 C65 1.539(7) .
C63 C66 1.557(7) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
O1S C1S 1.176(16) .
O1S C1S 1.176(16) 3_656
C1S C2S 1.310(14) .
C1S H1S1 0.9900 .
C1S H1S2 0.9900 .
C2S H2S1 0.9800 .
C2S H2S2 0.9800 .
C2S H2S3 0.9800 .
