#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:55:20 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178707 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/18/4081894.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_4081894
loop_
_publ_author_name
'Adams, Richard D.'
'Rassolov, Vitaly'
'Zhang, Qiang'
_publ_section_title
;
 Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl
 Ligands: Structures, Bonding, and Transformations
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6368
_journal_paper_doi               10.1021/om4007399
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C46 H31 Au O9 Os3 P'
_chemical_formula_weight         1526.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.9600(10)
_cell_angle_beta                 103.5000(10)
_cell_angle_gamma                111.3080(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8364(3)
_cell_length_b                   12.6236(3)
_cell_length_c                   19.9043(5)
_cell_measurement_reflns_used    5029
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.23
_cell_volume                     2198.57(10)
_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      293(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  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27467
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.07
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    12.058
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.305
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1402
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.723
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         7763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0296
_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)+(0.0575P)²+2.6522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                6817
_reflns_number_total             7763
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4007399_si_002.cif
_cod_data_source_block           9
_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 2.4.2 from
2011-04-26.

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4081894
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
Os1 Os 0.13506(3) 1.01117(2) 0.372837(15) 0.04142(9) Uani 1 1 d .
Os2 Os 0.21178(3) 1.11975(2) 0.257918(15) 0.04280(9) Uani 1 1 d .
Os3 Os 0.43615(3) 1.07191(2) 0.345643(16) 0.04477(9) Uani 1 1 d .
Au1 Au 0.03839(4) 0.88296(3) 0.239240(17) 0.05481(10) Uani 1 1 d .
P1 P -0.1036(3) 0.71202(19) 0.16139(13) 0.0629(6) Uani 1 1 d .
H1 H 0.320(7) 1.019(5) 0.402(3) 0.037(17) Uiso 1 1 d .
C11 C 0.1650(9) 1.0556(7) 0.4715(5) 0.058(2) Uani 1 1 d .
C12 C -0.0732(9) 0.9913(7) 0.3430(4) 0.0532(19) Uani 1 1 d .
C13 C 0.0793(9) 0.8475(7) 0.3755(4) 0.0540(19) Uani 1 1 d .
C21 C 0.3112(10) 1.2546(8) 0.2236(5) 0.070(2) Uani 1 1 d .
C22 C 0.0145(10) 1.1191(8) 0.2212(5) 0.062(2) Uani 1 1 d .
C23 C 0.2266(11) 1.0317(9) 0.1806(5) 0.071(2) Uani 1 1 d .
C32 C 0.5561(10) 1.1207(8) 0.2843(5) 0.063(2) Uani 1 1 d .
C33 C 0.5993(10) 1.1116(7) 0.4273(5) 0.064(2) Uani 1 1 d .
C34 C 0.4193(9) 0.9161(7) 0.3205(5) 0.064(2) Uani 1 1 d .
C35 C 0.0173(11) 1.3521(9) 0.4308(5) 0.073(3) Uani 1 1 d .
H35 H -0.0764 1.3341 0.4397 0.087 Uiso 1 1 calc R
C36 C 0.0583(9) 1.2622(7) 0.4094(5) 0.058(2) Uani 1 1 d .
H36 H -0.0084 1.1859 0.4050 0.070 Uiso 1 1 calc R
C37 C 0.1943(8) 1.2841(6) 0.3949(4) 0.0473(17) Uani 1 1 d .
C38 C 0.2969(8) 1.4025(6) 0.4046(4) 0.0460(16) Uani 1 1 d .
C39 C 0.2510(9) 1.4912(7) 0.4251(5) 0.057(2) Uani 1 1 d .
C40 C 0.1092(11) 1.4625(9) 0.4385(5) 0.073(3) Uani 1 1 d .
H40 H 0.0796 1.5208 0.4528 0.088 Uiso 1 1 calc R
C41 C 0.3538(11) 1.6104(8) 0.4337(5) 0.071(3) Uani 1 1 d .
H41 H 0.3249 1.6695 0.4473 0.085 Uiso 1 1 calc R
C42 C 0.4907(12) 1.6372(8) 0.4222(6) 0.075(3) Uani 1 1 d .
H42 H 0.5544 1.7149 0.4285 0.090 Uiso 1 1 calc R
C43 C 0.5425(9) 1.5514(7) 0.4008(5) 0.058(2) Uani 1 1 d .
C44 C 0.4426(9) 1.4315(6) 0.3922(4) 0.0492(17) Uani 1 1 d .
C45 C 0.4937(8) 1.3458(6) 0.3740(4) 0.0459(16) Uani 1 1 d .
C46 C 0.3894(7) 1.2211(6) 0.3635(4) 0.0418(15) Uani 1 1 d .
C47 C 0.2418(8) 1.1923(6) 0.3722(4) 0.0426(16) Uani 1 1 d .
C48 C 0.6389(8) 1.3788(7) 0.3646(5) 0.059(2) Uani 1 1 d .
H48 H 0.6737 1.3223 0.3530 0.071 Uiso 1 1 calc R
C49 C 0.7310(9) 1.4938(7) 0.3723(5) 0.069(2) Uani 1 1 d .
H49 H 0.8265 1.5143 0.3649 0.083 Uiso 1 1 calc R
C50 C 0.6833(10) 1.5781(7) 0.3907(5) 0.066(2) Uani 1 1 d .
H50 H 0.7478 1.6555 0.3965 0.080 Uiso 1 1 calc R
C51 C -0.3058(16) 0.6698(16) 0.1477(9) 0.147(3) Uani 1 1 d .
C52 C -0.3561(15) 0.6825(15) 0.2050(9) 0.147(3) Uani 1 1 d .
H52 H -0.2822 0.7216 0.2474 0.176 Uiso 1 1 calc R
C53 C -0.5044(15) 0.6434(15) 0.2063(9) 0.147(3) Uani 1 1 d .
H53 H -0.5328 0.6510 0.2473 0.176 Uiso 1 1 calc R
C54 C -0.6117(16) 0.5899(15) 0.1388(9) 0.147(3) Uani 1 1 d .
H54 H -0.7149 0.5699 0.1334 0.176 Uiso 1 1 calc R
C55 C -0.5661(15) 0.5691(15) 0.0850(9) 0.147(3) Uani 1 1 d .
H55 H -0.6387 0.5242 0.0434 0.176 Uiso 1 1 calc R
C56 C -0.4098(15) 0.6119(15) 0.0868(9) 0.147(3) Uani 1 1 d .
H56 H -0.3810 0.5997 0.0464 0.176 Uiso 1 1 calc R
C57 C -0.0773(10) 0.7160(8) 0.0739(5) 0.065(2) Uani 1 1 d .
C58 C -0.0231(16) 0.6473(11) 0.0433(7) 0.103(4) Uani 1 1 d .
H58 H -0.0055 0.5898 0.0657 0.123 Uiso 1 1 calc R
C59 C 0.007(2) 0.6599(14) -0.0209(8) 0.138(6) Uani 1 1 d .
H59 H 0.0523 0.6162 -0.0400 0.166 Uiso 1 1 calc R
C60 C -0.030(2) 0.7362(16) -0.0539(8) 0.131(5) Uani 1 1 d .
H60 H -0.0198 0.7398 -0.0991 0.157 Uiso 1 1 calc R
C61 C -0.079(2) 0.8069(16) -0.0258(9) 0.138(6) Uani 1 1 d .
H61 H -0.0990 0.8622 -0.0498 0.166 Uiso 1 1 calc R
C62 C -0.1019(17) 0.7994(12) 0.0374(6) 0.107(4) Uani 1 1 d .
H62 H -0.1349 0.8512 0.0575 0.128 Uiso 1 1 calc R
C63 C -0.0618(12) 0.5909(7) 0.1904(5) 0.069(2) Uani 1 1 d .
C64 C 0.0818(14) 0.6098(10) 0.2236(7) 0.096(4) Uani 1 1 d .
H64 H 0.1573 0.6834 0.2301 0.115 Uiso 1 1 calc R
C65 C 0.1212(18) 0.5238(11) 0.2485(8) 0.118(5) Uani 1 1 d .
H65 H 0.2223 0.5379 0.2702 0.141 Uiso 1 1 calc R
C66 C 0.009(2) 0.4175(14) 0.2410(8) 0.126(5) Uani 1 1 d .
H66 H 0.0345 0.3600 0.2600 0.151 Uiso 1 1 calc R
C67 C -0.133(2) 0.3941(11) 0.2077(10) 0.125(5) Uani 1 1 d .
H67 H -0.2060 0.3199 0.2024 0.150 Uiso 1 1 calc R
C68 C -0.1755(17) 0.4790(11) 0.1799(9) 0.118(5) Uani 1 1 d .
H68 H -0.2760 0.4621 0.1553 0.141 Uiso 1 1 calc R
O11 O 0.1815(7) 1.0863(6) 0.5290(3) 0.083(2) Uani 1 1 d .
O12 O -0.1997(6) 0.9745(6) 0.3265(3) 0.0721(17) Uani 1 1 d .
O13 O 0.0516(8) 0.7545(5) 0.3838(4) 0.083(2) Uani 1 1 d .
O21 O 0.3715(10) 1.3341(7) 0.2029(4) 0.118(3) Uani 1 1 d .
O22 O -0.1041(8) 1.1180(7) 0.1977(4) 0.094(2) Uani 1 1 d .
O23 O 0.2431(10) 0.9880(8) 0.1307(4) 0.115(3) Uani 1 1 d .
O32 O 0.6297(9) 1.1467(7) 0.2466(5) 0.101(2) Uani 1 1 d .
O33 O 0.7010(9) 1.1376(7) 0.4766(5) 0.106(3) Uani 1 1 d .
O34 O 0.4107(9) 0.8230(6) 0.3087(5) 0.109(3) Uani 1 1 d .
C1S C 0.5580 0.0526 0.0261 0.416 Uiso 1 1 d .
H1S1 H 0.6598 0.0755 0.0209 0.499 Uiso 1 1 d .
H1S2 H 0.5588 0.0476 0.0745 0.499 Uiso 1 1 d .
C2S C 0.4724 0.1245 -0.0066 0.495 Uiso 1 1 d .
H2S1 H 0.3690 0.0736 -0.0331 0.594 Uiso 1 1 d .
H2S2 H 0.5224 0.1659 -0.0387 0.594 Uiso 1 1 d .
C3S C 0.4694 0.2125 0.0525 0.666 Uiso 1 1 d .
H3S1 H 0.5627 0.2802 0.0652 0.999 Uiso 1 1 d .
H3S2 H 0.4587 0.1775 0.0929 0.999 Uiso 1 1 d .
H3S3 H 0.3851 0.2338 0.0357 0.999 Uiso 1 1 d .
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'
Au Au -2.0133 8.8022 '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
C12 Os1 C11 96.5(3) .
C12 Os1 C13 92.0(3) .
C11 Os1 C13 94.4(3) .
C12 Os1 C47 99.3(3) .
C11 Os1 C47 86.7(3) .
C13 Os1 C47 168.4(3) .
C12 Os1 Au1 77.9(2) .
C11 Os1 Au1 162.3(2) .
C13 Os1 Au1 69.3(2) .
C47 Os1 Au1 110.73(19) .
C12 Os1 Os2 94.3(2) .
C11 Os1 Os2 138.2(2) .
C13 Os1 Os2 125.5(3) .
C47 Os1 Os2 51.72(19) .
Au1 Os1 Os2 59.441(10) .
C12 Os1 Os3 150.1(2) .
C11 Os1 Os3 109.2(2) .
C13 Os1 Os3 100.7(2) .
C47 Os1 Os3 68.18(18) .
Au1 Os1 Os3 81.490(12) .
Os2 Os1 Os3 56.380(9) .
C12 Os1 H1 176(2) .
C11 Os1 H1 83(2) .
C13 Os1 H1 84(2) .
C47 Os1 H1 85(2) .
Au1 Os1 H1 102(2) .
Os2 Os1 H1 89(2) .
Os3 Os1 H1 33(2) .
C23 Os2 C21 87.8(4) .
C23 Os2 C22 100.9(4) .
C21 Os2 C22 93.9(4) .
C23 Os2 C47 159.4(3) .
C21 Os2 C47 102.8(3) .
C22 Os2 C47 96.0(3) .
C23 Os2 C46 130.8(4) .
C21 Os2 C46 83.7(3) .
C22 Os2 C46 128.0(3) .
C47 Os2 C46 36.0(2) .
C23 Os2 Os3 89.4(3) .
C21 Os2 Os3 107.2(3) .
C22 Os2 Os3 157.0(2) .
C47 Os2 Os3 70.68(17) .
C46 Os2 Os3 48.31(16) .
C23 Os2 Au1 66.7(3) .
C21 Os2 Au1 152.1(3) .
C22 Os2 Au1 80.8(3) .
C47 Os2 Au1 104.97(18) .
C46 Os2 Au1 121.12(16) .
Os3 Os2 Au1 84.540(12) .
C23 Os2 Os1 119.2(3) .
C21 Os2 Os1 149.9(3) .
C22 Os2 Os1 93.6(2) .
C47 Os2 Os1 47.37(18) .
C46 Os2 Os1 68.85(17) .
Os3 Os2 Os1 63.515(10) .
Au1 Os2 Os1 57.980(10) .
C33 Os3 C32 96.2(4) .
C33 Os3 C34 95.4(4) .
C32 Os3 C34 90.1(4) .
C33 Os3 C46 96.8(3) .
C32 Os3 C46 98.2(3) .
C34 Os3 C46 164.4(3) .
C33 Os3 Os2 151.2(3) .
C32 Os3 Os2 88.4(3) .
C34 Os3 Os2 113.1(3) .
C46 Os3 Os2 54.38(19) .
C33 Os3 Os1 114.0(3) .
C32 Os3 Os1 148.0(3) .
C34 Os3 Os1 97.0(2) .
C46 Os3 Os1 69.02(18) .
Os2 Os3 Os1 60.105(10) .
C33 Os3 H1 85(2) .
C32 Os3 H1 177(2) .
C34 Os3 H1 87(2) .
C46 Os3 H1 84(2) .
Os2 Os3 H1 92(2) .
Os1 Os3 H1 32(2) .
P1 Au1 C23 110.1(2) .
P1 Au1 Os1 150.15(6) .
C23 Au1 Os1 99.4(2) .
P1 Au1 Os2 146.89(6) .
C23 Au1 Os2 40.2(2) .
Os1 Au1 Os2 62.579(11) .
C51 P1 C57 105.0(6) .
C51 P1 C63 105.9(7) .
C57 P1 C63 106.4(4) .
C51 P1 Au1 112.6(5) .
C57 P1 Au1 113.5(3) .
C63 P1 Au1 112.8(3) .
O11 C11 Os1 176.7(8) .
O12 C12 Os1 176.6(7) .
O13 C13 Os1 173.6(8) .
O21 C21 Os2 179.0(11) .
O22 C22 Os2 178.5(9) .
O23 C23 Os2 172.9(9) .
O23 C23 Au1 113.8(8) .
Os2 C23 Au1 73.1(3) .
O32 C32 Os3 177.6(8) .
O33 C33 Os3 178.5(9) .
O34 C34 Os3 177.0(10) .
C40 C35 C36 121.6(8) .
C40 C35 H35 119.2 .
C36 C35 H35 119.2 .
C37 C36 C35 121.5(8) .
C37 C36 H36 119.3 .
C35 C36 H36 119.3 .
C36 C37 C38 118.0(7) .
C36 C37 C47 123.3(7) .
C38 C37 C47 118.7(6) .
C39 C38 C44 120.0(7) .
C39 C38 C37 119.0(7) .
C44 C38 C37 121.0(6) .
C40 C39 C38 120.0(8) .
C40 C39 C41 121.2(8) .
C38 C39 C41 118.8(8) .
C35 C40 C39 119.9(8) .
C35 C40 H40 120.0 .
C39 C40 H40 120.0 .
C42 C41 C39 120.9(8) .
C42 C41 H41 119.6 .
C39 C41 H41 119.6 .
C41 C42 C43 122.7(8) .
C41 C42 H42 118.6 .
C43 C42 H42 118.6 .
C50 C43 C42 123.0(8) .
C50 C43 C44 119.3(8) .
C42 C43 C44 117.7(8) .
C45 C44 C38 121.5(7) .
C45 C44 C43 118.7(7) .
C38 C44 C43 119.8(7) .
C48 C45 C44 119.3(7) .
C48 C45 C46 121.8(7) .
C44 C45 C46 118.9(6) .
C47 C46 C45 119.5(6) .
C47 C46 Os3 111.5(5) .
C45 C46 Os3 128.7(5) .
C47 C46 Os2 71.4(4) .
C45 C46 Os2 122.8(5) .
Os3 C46 Os2 77.3(2) .
C46 C47 C37 120.3(6) .
C46 C47 Os1 111.1(5) .
C37 C47 Os1 127.0(5) .
C46 C47 Os2 72.6(4) .
C37 C47 Os2 125.0(5) .
Os1 C47 Os2 80.9(2) .
C49 C48 C45 120.8(8) .
C49 C48 H48 119.6 .
C45 C48 H48 119.6 .
C50 C49 C48 120.5(8) .
C50 C49 H49 119.8 .
C48 C49 H49 119.8 .
C49 C50 C43 121.5(8) .
C49 C50 H50 119.3 .
C43 C50 H50 119.3 .
C56 C51 C52 117.7(14) .
C56 C51 P1 123.4(12) .
C52 C51 P1 118.1(12) .
C51 C52 C53 126.4(15) .
C51 C52 H52 116.8 .
C53 C52 H52 116.8 .
C52 C53 C54 113.7(15) .
C52 C53 H53 123.1 .
C54 C53 H53 123.1 .
C55 C54 C53 120.4(14) .
C55 C54 H54 119.8 .
C53 C54 H54 119.8 .
C54 C55 C56 122.9(14) .
C54 C55 H55 118.6 .
C56 C55 H55 118.6 .
C51 C56 C55 118.3(15) .
C51 C56 H56 120.9 .
C55 C56 H56 120.9 .
C58 C57 C62 116.1(10) .
C58 C57 P1 123.5(8) .
C62 C57 P1 120.1(8) .
C57 C58 C59 121.6(12) .
C57 C58 H58 119.2 .
C59 C58 H58 119.2 .
C60 C59 C58 117.8(14) .
C60 C59 H59 121.1 .
C58 C59 H59 121.1 .
C61 C60 C59 122.8(15) .
C61 C60 H60 118.6 .
C59 C60 H60 118.6 .
C60 C61 C62 119.7(15) .
C60 C61 H61 120.2 .
C62 C61 H61 120.2 .
C61 C62 C57 121.7(13) .
C61 C62 H62 119.2 .
C57 C62 H62 119.2 .
C64 C63 C68 118.9(11) .
C64 C63 P1 118.6(8) .
C68 C63 P1 122.5(10) .
C63 C64 C65 121.9(12) .
C63 C64 H64 119.0 .
C65 C64 H64 119.0 .
C66 C65 C64 118.7(15) .
C66 C65 H65 120.7 .
C64 C65 H65 120.7 .
C67 C66 C65 121.7(14) .
C67 C66 H66 119.2 .
C65 C66 H66 119.2 .
C66 C67 C68 120.9(14) .
C66 C67 H67 119.6 .
C68 C67 H67 119.6 .
C67 C68 C63 117.8(14) .
C67 C68 H68 121.1 .
C63 C68 H68 121.1 .
C1S C1S C2S 89.3 2_655
C1S C1S H1S1 113.8 2_655
C2S C1S H1S1 113.8 .
C1S C1S H1S2 113.8 2_655
C2S C1S H1S2 113.8 .
H1S1 C1S H1S2 111.0 .
C1S C2S C3S 109.9 .
C1S C2S H2S1 109.7 .
C3S C2S H2S1 109.7 .
C1S C2S H2S2 109.7 .
C3S C2S H2S2 109.7 .
H2S1 C2S H2S2 108.2 .
C2S C3S H3S1 109.5 .
C2S C3S H3S2 109.5 .
H3S1 C3S H3S2 109.5 .
C2S C3S H3S3 109.5 .
H3S1 C3S H3S3 109.5 .
H3S2 C3S H3S3 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 C12 1.909(8) .
Os1 C11 1.917(9) .
Os1 C13 1.944(8) .
Os1 C47 2.144(7) .
Os1 Au1 2.7480(4) .
Os1 Os2 2.8770(4) .
Os1 Os3 2.9702(4) .
Os1 H1 1.73(6) .
Os2 C23 1.884(10) .
Os2 C21 1.903(9) .
Os2 C22 1.904(9) .
Os2 C47 2.287(7) .
Os2 C46 2.303(7) .
Os2 Os3 2.7634(4) .
Os2 Au1 2.7909(4) .
Os3 C33 1.878(9) .
Os3 C32 1.881(9) .
Os3 C34 1.924(9) .
Os3 C46 2.115(7) .
Os3 H1 1.78(6) .
Au1 P1 2.287(2) .
Au1 C23 2.678(9) .
P1 C51 1.807(14) .
P1 C57 1.821(10) .
P1 C63 1.828(10) .
C11 O11 1.131(10) .
C12 O12 1.143(9) .
C13 O13 1.141(9) .
C21 O21 1.133(10) .
C22 O22 1.146(10) .
C23 O23 1.167(11) .
C32 O32 1.148(10) .
C33 O33 1.148(11) .
C34 O34 1.146(10) .
C35 C40 1.329(13) .
C35 C36 1.400(12) .
C35 H35 0.9300 .
C36 C37 1.369(10) .
C36 H36 0.9300 .
C37 C38 1.433(10) .
C37 C47 1.473(10) .
C38 C39 1.414(10) .
C38 C44 1.431(10) .
C39 C40 1.404(12) .
C39 C41 1.445(12) .
C40 H40 0.9300 .
C41 C42 1.344(14) .
C41 H41 0.9300 .
C42 C43 1.426(12) .
C42 H42 0.9300 .
C43 C50 1.369(12) .
C43 C44 1.443(10) .
C44 C45 1.403(10) .
C45 C48 1.398(10) .
C45 C46 1.498(10) .
C46 C47 1.419(9) .
C48 C49 1.376(11) .
C48 H48 0.9300 .
C49 C50 1.365(13) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C56 1.333(19) .
C51 C52 1.37(2) .
C52 C53 1.366(18) .
C52 H52 0.9300 .
C53 C54 1.428(19) .
C53 H53 0.9300 .
C54 C55 1.295(18) .
C54 H54 0.9300 .
C55 C56 1.423(18) .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 C58 1.344(14) .
C57 C62 1.389(15) .
C58 C59 1.389(17) .
C58 H58 0.9300 .
C59 C60 1.32(2) .
C59 H59 0.9300 .
C60 C61 1.31(2) .
C60 H60 0.9300 .
C61 C62 1.333(19) .
C61 H61 0.9300 .
C62 H62 0.9300 .
C63 C64 1.334(15) .
C63 C68 1.407(14) .
C64 C65 1.373(15) .
C64 H64 0.9300 .
C65 C66 1.36(2) .
C65 H65 0.9300 .
C66 C67 1.31(2) .
C66 H66 0.9300 .
C67 C68 1.399(19) .
C67 H67 0.9300 .
C68 H68 0.9300 .
C1S C1S 1.4999 2_655
C1S C2S 1.5361 .
C1S H1S1 0.9700 .
C1S H1S2 0.9700 .
C2S C3S 1.5581 .
C2S H2S1 0.9700 .
C2S H2S2 0.9700 .
C3S H3S1 0.9600 .
C3S H3S2 0.9600 .
C3S H3S3 0.9600 .
