#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:10:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178638 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/49/4074948.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_4074948
loop_
_publ_author_name
'Clark, George R.'
'Johns, Paul M.'
'Roper, Warren R.'
'Wright, L. James'
_publ_section_title
;
 An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and
 Methyl Propiolate and the C-Protonation of this Compound to Form a
 Tethered Osmabenzene
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1771
_journal_paper_doi               10.1021/om0510371
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C59 H48 O4 Os P2 S'
_chemical_formula_sum            'C59 H48 O4 Os P2 S'
_chemical_formula_weight         1105.17
_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                91.612(1)
_cell_angle_beta                 99.010(1)
_cell_angle_gamma                114.221(1)
_cell_formula_units_Z            2
_cell_length_a                   11.6740(1)
_cell_length_b                   11.8790(1)
_cell_length_c                   19.4041(1)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    84(2)
_cell_measurement_theta_max      26.56
_cell_measurement_theta_min      1.89
_cell_volume                     2410.93(4)
_computing_cell_refinement       'SMART (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'Ortep-III (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXTL (Siemens, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      84(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'Area detector ω 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  0.0176
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18206
_diffrn_reflns_theta_full        26.56
_diffrn_reflns_theta_max         26.56
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        <2%
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.803
_exptl_absorpt_correction_T_max  0.7669
_exptl_absorpt_correction_T_min  0.4674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Sheldrick, 1997'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.663
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         9923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0235
_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)+(0.0058P)²+3.0647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0527
_reflns_number_gt                9100
_reflns_number_total             9923
_reflns_threshold_expression     I>2σ(I))
_cod_data_source_file            om0510371si20051204_030917.cif
_cod_data_source_block           pmj212
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2410.89(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074948
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
Os Os 0.144671(10) 0.173384(9) 0.220095(5) 0.00996(3) Uani 1 1 d .
P1 P -0.02960(6) 0.01014(6) 0.25631(4) 0.01059(13) Uani 1 1 d .
P2 P 0.32662(6) 0.32735(6) 0.18364(4) 0.01125(13) Uani 1 1 d .
S S -0.07724(7) 0.16121(7) 0.07860(4) 0.02333(16) Uani 1 1 d .
O1 O 0.18035(17) 0.03238(16) 0.16076(10) 0.0129(4) Uani 1 1 d .
O2 O 0.28872(19) -0.08619(17) 0.17083(10) 0.0177(4) Uani 1 1 d .
O3 O 0.4367(2) 0.07456(19) 0.41174(11) 0.0219(4) Uani 1 1 d .
O4 O 0.31540(19) 0.10379(18) 0.48261(10) 0.0169(4) Uani 1 1 d .
C1 C 0.1491(2) 0.3112(2) 0.28941(14) 0.0118(5) Uani 1 1 d .
C2 C 0.2069(2) 0.3312(2) 0.35884(14) 0.0117(5) Uani 1 1 d .
C3 C 0.2619(2) 0.2553(2) 0.39456(14) 0.0125(5) Uani 1 1 d .
H3 H 0.2785 0.2696 0.4443 0.015 Uiso 1 1 calc R
C4 C 0.2939(2) 0.1666(2) 0.36907(14) 0.0124(5) Uani 1 1 d .
C5 C 0.2701(2) 0.1281(2) 0.29545(14) 0.0119(5) Uani 1 1 d .
C6 C 0.3102(2) 0.0454(2) 0.26864(14) 0.0130(5) Uani 1 1 d .
H6 H 0.3691 0.0205 0.2959 0.016 Uiso 1 1 calc R
C7 C 0.2573(3) -0.0003(2) 0.19731(14) 0.0134(5) Uani 1 1 d .
C8 C 0.0271(3) 0.1786(2) 0.14612(14) 0.0143(5) Uani 1 1 d .
C9 C 0.2234(3) -0.1446(3) 0.10127(16) 0.0219(6) Uani 1 1 d .
H9A H 0.2545 -0.2055 0.0877 0.033 Uiso 1 1 calc R
H9B H 0.2398 -0.0815 0.0681 0.033 Uiso 1 1 calc R
H9C H 0.1313 -0.1865 0.1007 0.033 Uiso 1 1 calc R
C10 C 0.3563(3) 0.1104(2) 0.42122(14) 0.0140(5) Uani 1 1 d .
C11 C 0.3733(3) 0.0503(3) 0.53542(15) 0.0234(7) Uani 1 1 d .
H11A H 0.3380 0.0490 0.5782 0.035 Uiso 1 1 calc R
H11B H 0.4660 0.1002 0.5459 0.035 Uiso 1 1 calc R
H11C H 0.3553 -0.0347 0.5181 0.035 Uiso 1 1 calc R
C12 C 0.1038(3) 0.4063(2) 0.26310(14) 0.0128(5) Uani 1 1 d .
C13 C -0.0209(3) 0.3743(3) 0.22741(14) 0.0150(5) Uani 1 1 d .
H13 H -0.0804 0.2896 0.2201 0.018 Uiso 1 1 calc R
C14 C -0.0586(3) 0.4643(3) 0.20257(15) 0.0181(6) Uani 1 1 d .
H14 H -0.1442 0.4409 0.1794 0.022 Uiso 1 1 calc R
C15 C 0.0272(3) 0.5880(3) 0.21127(16) 0.0208(6) Uani 1 1 d .
H15 H 0.0013 0.6492 0.1934 0.025 Uiso 1 1 calc R
C16 C 0.1511(3) 0.6216(2) 0.24613(15) 0.0175(6) Uani 1 1 d .
H16 H 0.2109 0.7062 0.2520 0.021 Uiso 1 1 calc R
C17 C 0.1881(3) 0.5320(2) 0.27244(14) 0.0144(5) Uani 1 1 d .
H17 H 0.2727 0.5565 0.2974 0.017 Uiso 1 1 calc R
C18 C 0.2259(3) 0.4410(2) 0.40718(14) 0.0136(5) Uani 1 1 d .
C19 C 0.1255(3) 0.4657(3) 0.42327(15) 0.0171(6) Uani 1 1 d .
H19 H 0.0397 0.4103 0.4042 0.020 Uiso 1 1 calc R
C20 C 0.1502(3) 0.5703(3) 0.46686(16) 0.0231(7) Uani 1 1 d .
H20 H 0.0812 0.5855 0.4782 0.028 Uiso 1 1 calc R
C21 C 0.2749(3) 0.6531(3) 0.49421(16) 0.0252(7) Uani 1 1 d .
H21 H 0.2916 0.7264 0.5227 0.030 Uiso 1 1 calc R
C22 C 0.3748(3) 0.6281(3) 0.47971(15) 0.0224(6) Uani 1 1 d .
H22 H 0.4605 0.6837 0.4988 0.027 Uiso 1 1 calc R
C23 C 0.3497(3) 0.5222(3) 0.43744(14) 0.0173(6) Uani 1 1 d .
H23 H 0.4189 0.5045 0.4289 0.021 Uiso 1 1 calc R
C31 C 0.4107(3) 0.2587(2) 0.13607(15) 0.0144(5) Uani 1 1 d .
C32 C 0.3430(3) 0.1907(3) 0.07207(15) 0.0184(6) Uani 1 1 d .
H32 H 0.2578 0.1806 0.0563 0.022 Uiso 1 1 calc R
C33 C 0.3984(3) 0.1372(3) 0.03077(16) 0.0237(7) Uani 1 1 d .
H33 H 0.3524 0.0934 -0.0137 0.028 Uiso 1 1 calc R
C34 C 0.5211(3) 0.1482(3) 0.05488(18) 0.0254(7) Uani 1 1 d .
H34 H 0.5585 0.1100 0.0275 0.031 Uiso 1 1 calc R
C35 C 0.5888(3) 0.2143(3) 0.11832(18) 0.0242(7) Uani 1 1 d .
H35 H 0.6729 0.2216 0.1345 0.029 Uiso 1 1 calc R
C36 C 0.5349(3) 0.2706(3) 0.15918(16) 0.0187(6) Uani 1 1 d .
H36 H 0.5827 0.3170 0.2027 0.022 Uiso 1 1 calc R
C41 C 0.4497(3) 0.4381(3) 0.25261(15) 0.0156(6) Uani 1 1 d .
C42 C 0.5178(3) 0.3975(3) 0.30414(15) 0.0177(6) Uani 1 1 d .
H42 H 0.4990 0.3117 0.3037 0.021 Uiso 1 1 calc R
C43 C 0.6120(3) 0.4815(3) 0.35553(16) 0.0258(7) Uani 1 1 d .
H43 H 0.6599 0.4534 0.3892 0.031 Uiso 1 1 calc R
C44 C 0.6377(3) 0.6064(3) 0.35860(16) 0.0266(7) Uani 1 1 d .
H44 H 0.7026 0.6636 0.3943 0.032 Uiso 1 1 calc R
C45 C 0.5682(3) 0.6472(3) 0.30938(16) 0.0229(6) Uani 1 1 d .
H45 H 0.5832 0.7322 0.3120 0.028 Uiso 1 1 calc R
C46 C 0.4767(3) 0.5637(3) 0.25625(15) 0.0174(6) Uani 1 1 d .
H46 H 0.4315 0.5928 0.2216 0.021 Uiso 1 1 calc R
C51 C 0.3045(3) 0.4299(2) 0.11996(14) 0.0144(5) Uani 1 1 d .
C52 C 0.4053(3) 0.4976(2) 0.08597(15) 0.0167(6) Uani 1 1 d .
H52 H 0.4817 0.4856 0.0943 0.020 Uiso 1 1 calc R
C53 C 0.3947(3) 0.5812(3) 0.04055(15) 0.0202(6) Uani 1 1 d .
H53 H 0.4642 0.6277 0.0184 0.024 Uiso 1 1 calc R
C54 C 0.2820(3) 0.5978(3) 0.02701(15) 0.0211(6) Uani 1 1 d .
H54 H 0.2742 0.6547 -0.0048 0.025 Uiso 1 1 calc R
C55 C 0.1824(3) 0.5315(3) 0.05985(15) 0.0187(6) Uani 1 1 d .
H55 H 0.1056 0.5425 0.0503 0.022 Uiso 1 1 calc R
C56 C 0.1928(3) 0.4483(2) 0.10695(14) 0.0150(5) Uani 1 1 d .
H56 H 0.1240 0.4042 0.1301 0.018 Uiso 1 1 calc R
C61 C -0.0034(2) -0.0628(2) 0.33572(14) 0.0132(5) Uani 1 1 d .
C62 C -0.0600(3) -0.0622(2) 0.39364(15) 0.0161(6) Uani 1 1 d .
H62 H -0.1094 -0.0158 0.3950 0.019 Uiso 1 1 calc R
C63 C -0.0449(3) -0.1284(3) 0.44924(15) 0.0199(6) Uani 1 1 d .
H63 H -0.0842 -0.1273 0.4884 0.024 Uiso 1 1 calc R
C64 C 0.0264(3) -0.1959(3) 0.44826(16) 0.0224(6) Uani 1 1 d .
H64 H 0.0370 -0.2407 0.4867 0.027 Uiso 1 1 calc R
C65 C 0.0833(3) -0.1981(3) 0.39031(16) 0.0223(6) Uani 1 1 d .
H65 H 0.1334 -0.2439 0.3893 0.027 Uiso 1 1 calc R
C66 C 0.0666(3) -0.1337(3) 0.33482(15) 0.0169(6) Uani 1 1 d .
H66 H 0.1035 -0.1376 0.2950 0.020 Uiso 1 1 calc R
C71 C -0.1093(2) -0.1307(2) 0.19441(14) 0.0137(5) Uani 1 1 d .
C72 C -0.0912(3) -0.1341(3) 0.12534(15) 0.0171(6) Uani 1 1 d .
H72 H -0.0376 -0.0608 0.1077 0.020 Uiso 1 1 calc R
C73 C -0.1519(3) -0.2453(3) 0.08225(16) 0.0216(6) Uani 1 1 d .
H73 H -0.1380 -0.2478 0.0354 0.026 Uiso 1 1 calc R
C74 C -0.2317(3) -0.3514(3) 0.10629(17) 0.0245(7) Uani 1 1 d .
H74 H -0.2728 -0.4268 0.0762 0.029 Uiso 1 1 calc R
C75 C -0.2520(3) -0.3484(3) 0.17464(17) 0.0219(6) Uani 1 1 d .
H75 H -0.3078 -0.4215 0.1915 0.026 Uiso 1 1 calc R
C76 C -0.1911(3) -0.2392(3) 0.21803(16) 0.0190(6) Uani 1 1 d .
H76 H -0.2051 -0.2377 0.2649 0.023 Uiso 1 1 calc R
C81 C -0.1588(3) 0.0511(2) 0.27112(15) 0.0144(5) Uani 1 1 d .
C82 C -0.2815(3) -0.0070(3) 0.23205(16) 0.0191(6) Uani 1 1 d .
H82 H -0.3005 -0.0698 0.1952 0.023 Uiso 1 1 calc R
C83 C -0.3770(3) 0.0266(3) 0.24667(17) 0.0261(7) Uani 1 1 d .
H83 H -0.4609 -0.0133 0.2197 0.031 Uiso 1 1 calc R
C84 C -0.3504(3) 0.1176(3) 0.30021(17) 0.0232(7) Uani 1 1 d .
H84 H -0.4161 0.1390 0.3108 0.028 Uiso 1 1 calc R
C85 C -0.2276(3) 0.1774(3) 0.33839(16) 0.0196(6) Uani 1 1 d .
H85 H -0.2084 0.2415 0.3746 0.023 Uiso 1 1 calc R
C86 C -0.1326(3) 0.1443(2) 0.32407(15) 0.0170(6) Uani 1 1 d .
H86 H -0.0486 0.1856 0.3507 0.020 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'
S S 0.1246 0.1234 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C8 Os C1 99.25(11) y
C8 Os C5 167.68(10) y
C1 Os C5 92.30(10) y
C8 Os O1 92.76(9) y
C1 Os O1 167.37(8) y
C5 Os O1 76.06(8) y
C8 Os P1 86.91(8) y
C1 Os P1 95.39(7) y
C5 Os P1 87.73(7) y
O1 Os P1 89.11(5) y
C8 Os P2 95.33(8) y
C1 Os P2 87.58(7) y
C5 Os P2 89.41(7) y
O1 Os P2 87.43(5) y
P1 Os P2 175.96(2) y
C81 P1 C61 102.11(12) ?
C81 P1 C71 104.12(12) ?
C61 P1 C71 98.22(12) ?
C81 P1 Os 114.42(9) ?
C61 P1 Os 120.52(9) ?
C71 P1 Os 114.94(9) ?
C51 P2 C41 101.59(13) ?
C51 P2 C31 99.04(12) ?
C41 P2 C31 105.20(12) ?
C51 P2 Os 119.69(9) ?
C41 P2 Os 116.66(9) ?
C31 P2 Os 112.32(9) ?
C7 O1 Os 111.75(16) y
C7 O2 C9 117.1(2) ?
C10 O4 C11 115.0(2) ?
C2 C1 C12 116.2(2) ?
C2 C1 Os 123.10(18) y
C12 C1 Os 120.22(18) ?
C1 C2 C3 125.8(2) y
C1 C2 C18 123.4(2) ?
C3 C2 C18 110.7(2) ?
C4 C3 C2 130.9(2) y
C4 C3 H3 114.6 ?
C2 C3 H3 114.6 ?
C3 C4 C5 122.5(2) y
C3 C4 C10 116.8(2) ?
C5 C4 C10 120.7(2) ?
C6 C5 C4 123.0(2) y
C6 C5 Os 113.91(19) y
C4 C5 Os 122.41(17) y
C5 C6 C7 115.1(2) y
C5 C6 H6 122.4 ?
C7 C6 H6 122.4 ?
O1 C7 O2 120.3(2) ?
O1 C7 C6 123.0(2) y
O2 C7 C6 116.6(2) ?
S C8 Os 170.78(17) y
O2 C9 H9A 109.5 ?
O2 C9 H9B 109.5 ?
H9A C9 H9B 109.5 ?
O2 C9 H9C 109.5 ?
H9A C9 H9C 109.5 ?
H9B C9 H9C 109.5 ?
O3 C10 O4 121.9(2) ?
O3 C10 C4 125.5(3) ?
O4 C10 C4 112.6(2) ?
O4 C11 H11A 109.5 ?
O4 C11 H11B 109.5 ?
H11A C11 H11B 109.5 ?
O4 C11 H11C 109.5 ?
H11A C11 H11C 109.5 ?
H11B C11 H11C 109.5 ?
C17 C12 C13 117.4(2) ?
C17 C12 C1 120.1(2) ?
C13 C12 C1 122.5(2) ?
C14 C13 C12 120.9(3) ?
C14 C13 H13 119.5 ?
C12 C13 H13 119.5 ?
C15 C14 C13 120.6(3) ?
C15 C14 H14 119.7 ?
C13 C14 H14 119.7 ?
C16 C15 C14 119.4(2) ?
C16 C15 H15 120.3 ?
C14 C15 H15 120.3 ?
C15 C16 C17 120.0(3) ?
C15 C16 H16 120.0 ?
C17 C16 H16 120.0 ?
C16 C17 C12 121.6(3) ?
C16 C17 H17 119.2 ?
C12 C17 H17 119.2 ?
C23 C18 C19 118.2(3) ?
C23 C18 C2 118.3(2) ?
C19 C18 C2 123.5(3) ?
C20 C19 C18 120.4(3) ?
C20 C19 H19 119.8 ?
C18 C19 H19 119.8 ?
C19 C20 C21 120.5(3) ?
C19 C20 H20 119.7 ?
C21 C20 H20 119.7 ?
C22 C21 C20 119.5(3) ?
C22 C21 H21 120.3 ?
C20 C21 H21 120.3 ?
C23 C22 C21 119.9(3) ?
C23 C22 H22 120.1 ?
C21 C22 H22 120.1 ?
C22 C23 C18 121.5(3) ?
C22 C23 H23 119.3 ?
C18 C23 H23 119.3 ?
C32 C31 C36 118.9(3) ?
C32 C31 P2 116.0(2) ?
C36 C31 P2 125.2(2) ?
C31 C32 C33 120.9(3) ?
C31 C32 H32 119.6 ?
C33 C32 H32 119.6 ?
C34 C33 C32 119.6(3) ?
C34 C33 H33 120.2 ?
C32 C33 H33 120.2 ?
C35 C34 C33 120.2(3) ?
C35 C34 H34 119.9 ?
C33 C34 H34 119.9 ?
C34 C35 C36 120.5(3) ?
C34 C35 H35 119.7 ?
C36 C35 H35 119.7 ?
C35 C36 C31 120.0(3) ?
C35 C36 H36 120.0 ?
C31 C36 H36 120.0 ?
C46 C41 C42 118.3(3) ?
C46 C41 P2 121.3(2) ?
C42 C41 P2 120.4(2) ?
C43 C42 C41 120.3(3) ?
C43 C42 H42 119.9 ?
C41 C42 H42 119.9 ?
C42 C43 C44 120.8(3) ?
C42 C43 H43 119.6 ?
C44 C43 H43 119.6 ?
C45 C44 C43 119.5(3) ?
C45 C44 H44 120.2 ?
C43 C44 H44 120.2 ?
C44 C45 C46 119.8(3) ?
C44 C45 H45 120.1 ?
C46 C45 H45 120.1 ?
C45 C46 C41 121.3(3) ?
C45 C46 H46 119.4 ?
C41 C46 H46 119.4 ?
C56 C51 C52 119.0(2) ?
C56 C51 P2 121.9(2) ?
C52 C51 P2 119.1(2) ?
C53 C52 C51 120.7(3) ?
C53 C52 H52 119.7 ?
C51 C52 H52 119.7 ?
C52 C53 C54 120.0(3) ?
C52 C53 H53 120.0 ?
C54 C53 H53 120.0 ?
C55 C54 C53 119.7(3) ?
C55 C54 H54 120.1 ?
C53 C54 H54 120.1 ?
C54 C55 C56 120.8(3) ?
C54 C55 H55 119.6 ?
C56 C55 H55 119.6 ?
C55 C56 C51 119.8(3) ?
C55 C56 H56 120.1 ?
C51 C56 H56 120.1 ?
C62 C61 C66 118.2(2) ?
C62 C61 P1 123.8(2) ?
C66 C61 P1 117.7(2) ?
C63 C62 C61 120.6(3) ?
C63 C62 H62 119.7 ?
C61 C62 H62 119.7 ?
C64 C63 C62 120.6(3) ?
C64 C63 H63 119.7 ?
C62 C63 H63 119.7 ?
C63 C64 C65 119.5(3) ?
C63 C64 H64 120.2 ?
C65 C64 H64 120.2 ?
C66 C65 C64 119.8(3) ?
C66 C65 H65 120.1 ?
C64 C65 H65 120.1 ?
C65 C66 C61 121.3(3) ?
C65 C66 H66 119.3 ?
C61 C66 H66 119.3 ?
C72 C71 C76 118.7(3) ?
C72 C71 P1 123.0(2) ?
C76 C71 P1 118.3(2) ?
C73 C72 C71 119.6(3) ?
C73 C72 H72 120.2 ?
C71 C72 H72 120.2 ?
C74 C73 C72 121.0(3) ?
C74 C73 H73 119.5 ?
C72 C73 H73 119.5 ?
C73 C74 C75 119.8(3) ?
C73 C74 H74 120.1 ?
C75 C74 H74 120.1 ?
C76 C75 C74 119.7(3) ?
C76 C75 H75 120.1 ?
C74 C75 H75 120.1 ?
C75 C76 C71 121.2(3) ?
C75 C76 H76 119.4 ?
C71 C76 H76 119.4 ?
C82 C81 C86 118.9(3) ?
C82 C81 P1 122.7(2) ?
C86 C81 P1 118.3(2) ?
C81 C82 C83 120.2(3) ?
C81 C82 H82 119.9 ?
C83 C82 H82 119.9 ?
C84 C83 C82 120.3(3) ?
C84 C83 H83 119.9 ?
C82 C83 H83 119.9 ?
C83 C84 C85 119.7(3) ?
C83 C84 H84 120.1 ?
C85 C84 H84 120.1 ?
C86 C85 C84 120.1(3) ?
C86 C85 H85 119.9 ?
C84 C85 H85 119.9 ?
C85 C86 C81 120.7(3) ?
C85 C86 H86 119.6 ?
C81 C86 H86 119.6 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Os C8 1.846(3) y
Os C1 2.068(3) y
Os C5 2.142(3) y
Os O1 2.2178(17) y
Os P1 2.3834(7) y
Os P2 2.3902(7) y
P1 C81 1.823(3) ?
P1 C61 1.834(3) ?
P1 C71 1.835(3) ?
P2 C51 1.822(3) ?
P2 C41 1.826(3) ?
P2 C31 1.838(3) ?
S C8 1.588(3) y
O1 C7 1.250(3) y
O2 C7 1.333(3) y
O2 C9 1.441(3) ?
O3 C10 1.214(3) ?
O4 C10 1.344(3) ?
O4 C11 1.444(3) ?
C1 C2 1.376(4) y
C1 C12 1.501(3) ?
C2 C3 1.442(3) y
C2 C18 1.503(4) ?
C3 C4 1.359(4) y
C3 H3 0.9500 ?
C4 C5 1.436(4) y
C4 C10 1.485(3) ?
C5 C6 1.371(3) y
C6 C7 1.416(4) y
C6 H6 0.9500 ?
C9 H9A 0.9800 ?
C9 H9B 0.9800 ?
C9 H9C 0.9800 ?
C11 H11A 0.9800 ?
C11 H11B 0.9800 ?
C11 H11C 0.9800 ?
C12 C17 1.398(4) ?
C12 C13 1.399(4) ?
C13 C14 1.386(4) ?
C13 H13 0.9500 ?
C14 C15 1.384(4) ?
C14 H14 0.9500 ?
C15 C16 1.383(4) ?
C15 H15 0.9500 ?
C16 C17 1.385(4) ?
C16 H16 0.9500 ?
C17 H17 0.9500 ?
C18 C23 1.387(4) ?
C18 C19 1.395(4) ?
C19 C20 1.383(4) ?
C19 H19 0.9500 ?
C20 C21 1.386(5) ?
C20 H20 0.9500 ?
C21 C22 1.381(4) ?
C21 H21 0.9500 ?
C22 C23 1.381(4) ?
C22 H22 0.9500 ?
C23 H23 0.9500 ?
C31 C32 1.390(4) ?
C31 C36 1.396(4) ?
C32 C33 1.391(4) ?
C32 H32 0.9500 ?
C33 C34 1.386(5) ?
C33 H33 0.9500 ?
C34 C35 1.374(5) ?
C34 H34 0.9500 ?
C35 C36 1.394(4) ?
C35 H35 0.9500 ?
C36 H36 0.9500 ?
C41 C46 1.390(4) ?
C41 C42 1.399(4) ?
C42 C43 1.378(4) ?
C42 H42 0.9500 ?
C43 C44 1.385(4) ?
C43 H43 0.9500 ?
C44 C45 1.382(4) ?
C44 H44 0.9500 ?
C45 C46 1.384(4) ?
C45 H45 0.9500 ?
C46 H46 0.9500 ?
C51 C56 1.395(4) ?
C51 C52 1.401(4) ?
C52 C53 1.377(4) ?
C52 H52 0.9500 ?
C53 C54 1.394(4) ?
C53 H53 0.9500 ?
C54 C55 1.374(4) ?
C54 H54 0.9500 ?
C55 C56 1.393(4) ?
C55 H55 0.9500 ?
C56 H56 0.9500 ?
C61 C62 1.391(4) ?
C61 C66 1.395(4) ?
C62 C63 1.384(4) ?
C62 H62 0.9500 ?
C63 C64 1.374(4) ?
C63 H63 0.9500 ?
C64 C65 1.397(4) ?
C64 H64 0.9500 ?
C65 C66 1.373(4) ?
C65 H65 0.9500 ?
C66 H66 0.9500 ?
C71 C72 1.391(4) ?
C71 C76 1.394(4) ?
C72 C73 1.389(4) ?
C72 H72 0.9500 ?
C73 C74 1.371(4) ?
C73 H73 0.9500 ?
C74 C75 1.386(5) ?
C74 H74 0.9500 ?
C75 C76 1.375(4) ?
C75 H75 0.9500 ?
C76 H76 0.9500 ?
C81 C82 1.387(4) ?
C81 C86 1.391(4) ?
C82 C83 1.393(4) ?
C82 H82 0.9500 ?
C83 C84 1.380(5) ?
C83 H83 0.9500 ?
C84 C85 1.382(4) ?
C84 H84 0.9500 ?
C85 C86 1.382(4) ?
C85 H85 0.9500 ?
C86 H86 0.9500 ?
