#------------------------------------------------------------------------------
#$Date: 2023-01-19 03:04:24 +0100 (Thu 19 de Jan de 2023) $
#$Revision: 280427 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/61/7246159.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_7246159
loop_
_publ_author_name
'Islam, Fahmida'
'Hasan, Md. Sohag'
'Ghosh, Shishir'
'Richmond, Michael G.'
'Kabir, Shariff E.'
'Roesky, Herbert W.'
_publ_section_title
;
 Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony:
 syntheses and structures of new antimony-containing Os3 clusters via
 Sb--Ph bond cleavage
;
_journal_issue                   5
_journal_name_full               'RSC Advances'
_journal_page_first              2841
_journal_page_last               2851
_journal_paper_doi               10.1039/D2RA07284J
_journal_volume                  13
_journal_year                    2023
_chemical_formula_moiety         'C50 H37 O7 Os3 P2 Sb, C H2 Cl2'
_chemical_formula_sum            'C51 H39 Cl2 O7 Os3 P2 Sb'
_chemical_formula_weight         1589.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2021-09-28
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2022-02-16 deposited with the CCDC.	2022-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.6390(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.6929(10)
_cell_length_b                   13.9599(7)
_cell_length_c                   20.1424(10)
_cell_measurement_reflns_used    9241
_cell_measurement_temperature    210(1)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.69
_cell_volume                     5072.7(4)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      210(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            115314
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.381
_diffrn_reflns_theta_min         2.258
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.235
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1055 before and 0.0581 after correction.
The Ratio of minimum to maximum transmission is 0.6938.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_description       block
_exptl_crystal_F_000             2976
_exptl_crystal_size_max          0.221
_exptl_crystal_size_mid          0.188
_exptl_crystal_size_min          0.079
_refine_diff_density_max         1.133
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         12614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0136P)²+17.8976P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9804
_reflns_number_total             12614
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ra07284j2.cif
_cod_data_source_block           fi_1d1_a
_cod_database_code               7246159
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C51(H51A,H51B)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C12(H12), C13(H13), C14(H14), C16(H16), C17(H17), C18(H18),
 C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C36(H36),
 C37(H37), C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C46(H46),
  C47(H47), C48(H48), C49(H49), C50(H50)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.73378(2) 0.67976(2) 0.53768(2) 0.01840(4) Uani 1 1 d . . . . .
Os2 Os 0.84967(2) 0.81198(2) 0.56083(2) 0.02276(5) Uani 1 1 d . . . . .
Os3 Os 0.70759(2) 0.84233(2) 0.45196(2) 0.02083(4) Uani 1 1 d . . . . .
Sb1 Sb 0.56560(2) 0.85280(2) 0.36663(2) 0.02186(7) Uani 1 1 d . . . . .
P1 P 0.81524(6) 0.55213(8) 0.55467(6) 0.0228(2) Uani 1 1 d . . . . .
P2 P 0.86536(6) 0.70328(8) 0.48024(6) 0.0225(2) Uani 1 1 d . . . . .
C1 C 0.6514(3) 0.5995(3) 0.5187(2) 0.0227(10) Uani 1 1 d . . . . .
C2 C 0.7549(3) 0.6995(3) 0.6367(3) 0.0301(11) Uani 1 1 d . . . . .
C3 C 0.8983(3) 0.9154(4) 0.5347(3) 0.0398(13) Uani 1 1 d . . . . .
C4 C 0.9269(3) 0.7528(4) 0.6390(3) 0.0327(12) Uani 1 1 d . . . . .
C5 C 0.8179(3) 0.8839(4) 0.6243(3) 0.0341(12) Uani 1 1 d . . . . .
C6 C 0.7425(3) 0.9020(4) 0.3887(3) 0.0331(12) Uani 1 1 d . . . . .
C7 C 0.7086(3) 0.9611(4) 0.4910(3) 0.0313(11) Uani 1 1 d . . . . .
O1 O 0.60324(19) 0.5479(2) 0.51038(18) 0.0354(8) Uani 1 1 d . . . . .
O2 O 0.7667(2) 0.7133(3) 0.69673(19) 0.0461(10) Uani 1 1 d . . . . .
O3 O 0.9269(3) 0.9765(3) 0.5185(3) 0.0701(14) Uani 1 1 d . . . . .
O4 O 0.9738(2) 0.7157(3) 0.6866(2) 0.0518(11) Uani 1 1 d . . . . .
O5 O 0.7996(2) 0.9247(3) 0.6636(2) 0.0528(11) Uani 1 1 d . . . . .
O6 O 0.7654(2) 0.9398(3) 0.3513(2) 0.0548(11) Uani 1 1 d . . . . .
O7 O 0.7106(2) 1.0367(3) 0.5160(2) 0.0510(11) Uani 1 1 d . . . . .
C8 C 0.8872(2) 0.5833(3) 0.5213(3) 0.0249(10) Uani 1 1 d . . . . .
H8A H 0.9362 0.5834 0.5614 0.030 Uiso 1 1 calc R U . . .
H8B H 0.8874 0.5364 0.4852 0.030 Uiso 1 1 calc R U . . .
C9 C 0.7800(2) 0.6789(3) 0.4032(2) 0.0218(9) Uani 1 1 d . . . . .
C10 C 0.7178(2) 0.6783(3) 0.4215(2) 0.0204(9) Uani 1 1 d . . . . .
C11 C 0.6507(2) 0.6458(3) 0.3663(2) 0.0243(10) Uani 1 1 d . . . . .
H11 H 0.6078 0.6427 0.3759 0.029 Uiso 1 1 calc R U . . .
C12 C 0.6465(3) 0.6186(3) 0.2989(3) 0.0305(11) Uani 1 1 d . . . . .
H12 H 0.6009 0.5980 0.2634 0.037 Uiso 1 1 calc R U . . .
C13 C 0.7086(3) 0.6214(4) 0.2830(3) 0.0319(11) Uani 1 1 d . . . . .
H13 H 0.7053 0.6034 0.2368 0.038 Uiso 1 1 calc R U . . .
C14 C 0.7756(3) 0.6508(3) 0.3355(3) 0.0303(11) Uani 1 1 d . . . . .
H14 H 0.8182 0.6519 0.3254 0.036 Uiso 1 1 calc R U . . .
C15 C 0.9373(3) 0.7265(3) 0.4472(3) 0.0278(11) Uani 1 1 d . . . . .
C16 C 1.0085(3) 0.6941(4) 0.4856(4) 0.0503(16) Uani 1 1 d . . . . .
H16 H 1.0186 0.6538 0.5258 0.060 Uiso 1 1 calc R U . . .
C17 C 1.0658(4) 0.7206(5) 0.4653(4) 0.072(2) Uani 1 1 d . . . . .
H17 H 1.1143 0.6988 0.4922 0.086 Uiso 1 1 calc R U . . .
C18 C 1.0513(4) 0.7780(5) 0.4065(4) 0.065(2) Uani 1 1 d . . . . .
H18 H 1.0897 0.7948 0.3923 0.077 Uiso 1 1 calc R U . . .
C19 C 0.9811(4) 0.8111(5) 0.3681(4) 0.0563(17) Uani 1 1 d . . . . .
H19 H 0.9711 0.8506 0.3275 0.068 Uiso 1 1 calc R U . . .
C20 C 0.9248(3) 0.7865(4) 0.3892(3) 0.0427(14) Uani 1 1 d . . . . .
H20 H 0.8770 0.8112 0.3634 0.051 Uiso 1 1 calc R U . . .
C21 C 0.8666(3) 0.5060(3) 0.6462(3) 0.0300(11) Uani 1 1 d . . . . .
C22 C 0.8326(3) 0.5034(4) 0.6942(3) 0.0415(14) Uani 1 1 d . . . . .
H22 H 0.7843 0.5277 0.6800 0.050 Uiso 1 1 calc R U . . .
C23 C 0.8686(4) 0.4654(4) 0.7630(3) 0.0532(17) Uani 1 1 d . . . . .
H23 H 0.8445 0.4625 0.7948 0.064 Uiso 1 1 calc R U . . .
C24 C 0.9397(4) 0.4323(5) 0.7844(3) 0.0598(19) Uani 1 1 d . . . . .
H24 H 0.9650 0.4084 0.8317 0.072 Uiso 1 1 calc R U . . .
C25 C 0.9741(3) 0.4337(5) 0.7370(4) 0.0614(19) Uani 1 1 d . . . . .
H25 H 1.0226 0.4101 0.7516 0.074 Uiso 1 1 calc R U . . .
C26 C 0.9374(3) 0.4700(4) 0.6681(3) 0.0469(15) Uani 1 1 d . . . . .
H26 H 0.9609 0.4701 0.6357 0.056 Uiso 1 1 calc R U . . .
C27 C 0.7737(2) 0.4412(3) 0.5051(3) 0.0274(11) Uani 1 1 d . . . . .
C28 C 0.7574(3) 0.4330(4) 0.4313(3) 0.0358(12) Uani 1 1 d . . . . .
H28 H 0.7679 0.4842 0.4066 0.043 Uiso 1 1 calc R U . . .
C29 C 0.7261(3) 0.3506(4) 0.3945(3) 0.0474(15) Uani 1 1 d . . . . .
H29 H 0.7159 0.3456 0.3449 0.057 Uiso 1 1 calc R U . . .
C30 C 0.7097(3) 0.2756(4) 0.4296(4) 0.0520(16) Uani 1 1 d . . . . .
H30 H 0.6885 0.2194 0.4041 0.062 Uiso 1 1 calc R U . . .
C31 C 0.7243(3) 0.2828(4) 0.5015(4) 0.0508(16) Uani 1 1 d . . . . .
H31 H 0.7128 0.2315 0.5254 0.061 Uiso 1 1 calc R U . . .
C32 C 0.7562(3) 0.3659(4) 0.5398(3) 0.0379(13) Uani 1 1 d . . . . .
H32 H 0.7659 0.3706 0.5893 0.045 Uiso 1 1 calc R U . . .
C33 C 0.4836(2) 0.7472(3) 0.3562(3) 0.0256(10) Uani 1 1 d . . . . .
C34 C 0.4444(3) 0.7019(4) 0.2905(3) 0.0394(13) Uani 1 1 d . . . . .
H34 H 0.4554 0.7154 0.2502 0.047 Uiso 1 1 calc R U . . .
C35 C 0.3891(3) 0.6371(4) 0.2844(4) 0.0538(17) Uani 1 1 d . . . . .
H35 H 0.3627 0.6067 0.2397 0.065 Uiso 1 1 calc R U . . .
C36 C 0.3726(3) 0.6169(4) 0.3425(4) 0.0533(17) Uani 1 1 d . . . . .
H36 H 0.3342 0.5738 0.3375 0.064 Uiso 1 1 calc R U . . .
C37 C 0.4120(3) 0.6592(4) 0.4082(4) 0.0459(15) Uani 1 1 d . . . . .
H37 H 0.4014 0.6441 0.4485 0.055 Uiso 1 1 calc R U . . .
C38 C 0.4673(3) 0.7242(4) 0.4148(3) 0.0376(13) Uani 1 1 d . . . . .
H38 H 0.4943 0.7531 0.4599 0.045 Uiso 1 1 calc R U . . .
C39 C 0.5426(3) 0.8754(3) 0.2555(2) 0.0258(10) Uani 1 1 d . . . . .
C40 C 0.5963(3) 0.8585(3) 0.2291(3) 0.0278(11) Uani 1 1 d . . . . .
H40 H 0.6426 0.8335 0.2599 0.033 Uiso 1 1 calc R U . . .
C41 C 0.5820(3) 0.8783(4) 0.1573(3) 0.0325(11) Uani 1 1 d . . . . .
H41 H 0.6188 0.8676 0.1397 0.039 Uiso 1 1 calc R U . . .
C42 C 0.5138(3) 0.9137(4) 0.1117(3) 0.0320(11) Uani 1 1 d . . . . .
H42 H 0.5044 0.9279 0.0632 0.038 Uiso 1 1 calc R U . . .
C43 C 0.4596(3) 0.9280(4) 0.1374(3) 0.0326(12) Uani 1 1 d . . . . .
H43 H 0.4127 0.9503 0.1059 0.039 Uiso 1 1 calc R U . . .
C44 C 0.4735(3) 0.9101(3) 0.2090(3) 0.0283(11) Uani 1 1 d . . . . .
H44 H 0.4364 0.9212 0.2264 0.034 Uiso 1 1 calc R U . . .
C45 C 0.5101(3) 0.9759(3) 0.3834(2) 0.0277(11) Uani 1 1 d . . . . .
C46 C 0.5411(3) 1.0650(4) 0.3843(3) 0.0369(12) Uani 1 1 d . . . . .
H46 H 0.5857 1.0699 0.3780 0.044 Uiso 1 1 calc R U . . .
C47 C 0.5069(3) 1.1473(4) 0.3945(3) 0.0451(14) Uani 1 1 d . . . . .
H47 H 0.5281 1.2076 0.3945 0.054 Uiso 1 1 calc R U . . .
C48 C 0.4425(3) 1.1405(4) 0.4045(3) 0.0428(14) Uani 1 1 d . . . . .
H48 H 0.4195 1.1963 0.4116 0.051 Uiso 1 1 calc R U . . .
C49 C 0.4110(3) 1.0525(4) 0.4040(3) 0.0444(14) Uani 1 1 d . . . . .
H49 H 0.3666 1.0482 0.4109 0.053 Uiso 1 1 calc R U . . .
C50 C 0.4446(3) 0.9704(4) 0.3935(3) 0.0351(12) Uani 1 1 d . . . . .
H50 H 0.4229 0.9104 0.3932 0.042 Uiso 1 1 calc R U . . .
C51 C 0.1476(5) 0.8525(8) 0.2594(6) 0.127(4) Uani 1 1 d . . . . .
H51A H 0.1398 0.8921 0.2959 0.152 Uiso 1 1 calc R U . . .
H51B H 0.1133 0.7982 0.2484 0.152 Uiso 1 1 calc R U . . .
Cl1 Cl 0.12613(15) 0.9213(2) 0.17966(15) 0.1182(9) Uani 1 1 d . . . . .
Cl2 Cl 0.2350(2) 0.8107(3) 0.2943(2) 0.1811(16) Uani 1 1 d . . . . .
H H 0.675(3) 0.776(4) 0.519(3) 0.052(16) 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'
Cl Cl 0.1484 0.1585 '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'
Os Os -1.2165 7.6030 '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'
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
Os2 Os1 H 87.3(18) . . ?
Os3 Os1 Os2 60.266(7) . . ?
Os3 Os1 H 44.0(18) . . ?
P1 Os1 Os2 90.71(3) . . ?
P1 Os1 Os3 131.53(3) . . ?
P1 Os1 H 175.4(17) . . ?
C1 Os1 Os2 175.52(14) . . ?
C1 Os1 Os3 115.54(13) . . ?
C1 Os1 P1 93.52(14) . . ?
C1 Os1 C2 96.2(2) . . ?
C1 Os1 C10 91.93(17) . . ?
C1 Os1 H 88.4(18) . . ?
C2 Os1 Os2 84.77(15) . . ?
C2 Os1 Os3 116.49(15) . . ?
C2 Os1 P1 96.26(15) . . ?
C2 Os1 C10 171.01(18) . . ?
C2 Os1 H 87.7(17) . . ?
C10 Os1 Os2 86.80(11) . . ?
C10 Os1 Os3 56.06(11) . . ?
C10 Os1 P1 86.94(11) . . ?
C10 Os1 H 88.8(17) . . ?
Os3 Os2 Os1 58.935(7) . . ?
P2 Os2 Os1 77.51(3) . . ?
P2 Os2 Os3 85.60(3) . . ?
C3 Os2 Os1 154.89(16) . . ?
C3 Os2 Os3 97.07(16) . . ?
C3 Os2 P2 94.53(17) . . ?
C4 Os2 Os1 100.33(15) . . ?
C4 Os2 Os3 159.26(15) . . ?
C4 Os2 P2 90.48(16) . . ?
C4 Os2 C3 103.5(2) . . ?
C4 Os2 C5 92.4(2) . . ?
C5 Os2 Os1 89.64(15) . . ?
C5 Os2 Os3 87.26(15) . . ?
C5 Os2 P2 167.13(16) . . ?
C5 Os2 C3 97.0(2) . . ?
Os1 Os3 Os2 60.799(6) . . ?
Os1 Os3 H 37.6(16) . . ?
Os2 Os3 H 83.5(15) . . ?
Sb1 Os3 Os1 109.604(9) . . ?
Sb1 Os3 Os2 169.035(10) . . ?
Sb1 Os3 H 85.6(16) . . ?
C6 Os3 Os1 139.65(15) . . ?
C6 Os3 Os2 94.36(15) . . ?
C6 Os3 Sb1 96.59(15) . . ?
C6 Os3 C10 99.19(19) . . ?
C6 Os3 H 177.2(16) . . ?
C7 Os3 Os1 120.42(16) . . ?
C7 Os3 Os2 88.00(15) . . ?
C7 Os3 Sb1 93.22(15) . . ?
C7 Os3 C6 86.9(2) . . ?
C7 Os3 C10 170.33(18) . . ?
C7 Os3 H 94.8(16) . . ?
C10 Os3 Os1 50.52(10) . . ?
C10 Os3 Os2 84.06(10) . . ?
C10 Os3 Sb1 93.54(10) . . ?
C10 Os3 H 78.9(16) . . ?
C33 Sb1 Os3 126.10(12) . . ?
C33 Sb1 C45 98.99(18) . . ?
C39 Sb1 Os3 114.72(13) . . ?
C39 Sb1 C33 99.55(18) . . ?
C39 Sb1 C45 98.13(18) . . ?
C45 Sb1 Os3 114.73(13) . . ?
C8 P1 Os1 110.49(15) . . ?
C21 P1 Os1 119.18(17) . . ?
C21 P1 C8 104.8(2) . . ?
C21 P1 C27 101.3(2) . . ?
C27 P1 Os1 115.60(15) . . ?
C27 P1 C8 103.9(2) . . ?
C8 P2 Os2 110.61(16) . . ?
C9 P2 Os2 112.56(15) . . ?
C9 P2 C8 100.6(2) . . ?
C9 P2 C15 108.2(2) . . ?
C15 P2 Os2 118.61(16) . . ?
C15 P2 C8 104.5(2) . . ?
O1 C1 Os1 176.4(4) . . ?
O2 C2 Os1 178.4(5) . . ?
O3 C3 Os2 179.2(5) . . ?
O4 C4 Os2 179.3(5) . . ?
O5 C5 Os2 178.1(5) . . ?
O6 C6 Os3 178.2(5) . . ?
O7 C7 Os3 178.8(5) . . ?
P1 C8 H8A 110.2 . . ?
P1 C8 H8B 110.2 . . ?
P2 C8 P1 107.6(2) . . ?
P2 C8 H8A 110.2 . . ?
P2 C8 H8B 110.2 . . ?
H8A C8 H8B 108.5 . . ?
C10 C9 P2 112.5(3) . . ?
C14 C9 P2 124.7(4) . . ?
C14 C9 C10 122.3(4) . . ?
Os1 C10 Os3 73.42(13) . . ?
C9 C10 Os1 120.0(3) . . ?
C9 C10 Os3 103.3(3) . . ?
C9 C10 C11 115.4(4) . . ?
C11 C10 Os1 121.4(3) . . ?
C11 C10 Os3 111.0(3) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 C10 122.0(4) . . ?
C12 C11 H11 119.0 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.5(5) . . ?
C14 C13 H13 120.3 . . ?
C9 C14 H14 119.9 . . ?
C13 C14 C9 120.1(5) . . ?
C13 C14 H14 119.9 . . ?
C16 C15 P2 120.2(4) . . ?
C20 C15 P2 121.1(4) . . ?
C20 C15 C16 118.1(5) . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.7(6) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.8(6) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.3(6) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.8(6) . . ?
C20 C19 H19 120.1 . . ?
C15 C20 C19 121.3(5) . . ?
C15 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 P1 119.3(4) . . ?
C26 C21 P1 122.1(4) . . ?
C26 C21 C22 118.6(5) . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 120.9(5) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.7(6) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.9 . . ?
C23 C24 C25 120.1(5) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 119.9(6) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 120.8(6) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 P1 120.5(4) . . ?
C32 C27 P1 120.8(4) . . ?
C32 C27 C28 118.6(5) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(5) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.5(6) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 119.9(5) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.2(5) . . ?
C32 C31 H31 119.9 . . ?
C27 C32 C31 120.2(5) . . ?
C27 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C34 C33 Sb1 121.2(4) . . ?
C38 C33 Sb1 120.2(4) . . ?
C38 C33 C34 118.6(5) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(5) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.7 . . ?
C36 C35 C34 120.5(6) . . ?
C36 C35 H35 119.7 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.2(5) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.6(5) . . ?
C38 C37 H37 120.2 . . ?
C33 C38 C37 120.9(5) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C40 C39 Sb1 120.5(3) . . ?
C40 C39 C44 119.6(4) . . ?
C44 C39 Sb1 119.9(3) . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0(4) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.2(5) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 120.1 . . ?
C43 C42 C41 119.8(5) . . ?
C43 C42 H42 120.1 . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C44 120.6(5) . . ?
C44 C43 H43 119.7 . . ?
C39 C44 H44 120.1 . . ?
C43 C44 C39 119.8(5) . . ?
C43 C44 H44 120.1 . . ?
C46 C45 Sb1 118.3(4) . . ?
C46 C45 C50 118.7(5) . . ?
C50 C45 Sb1 123.0(4) . . ?
C45 C46 H46 119.7 . . ?
C45 C46 C47 120.5(5) . . ?
C47 C46 H46 119.7 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.0(5) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.2(5) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.1(5) . . ?
C50 C49 H49 120.0 . . ?
C45 C50 H50 119.8 . . ?
C49 C50 C45 120.5(5) . . ?
C49 C50 H50 119.8 . . ?
H51A C51 H51B 107.7 . . ?
Cl1 C51 H51A 108.9 . . ?
Cl1 C51 H51B 108.9 . . ?
Cl2 C51 H51A 108.9 . . ?
Cl2 C51 H51B 108.9 . . ?
Cl2 C51 Cl1 113.5(6) . . ?
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
Os1 Os2 2.8249(3) . ?
Os1 Os3 2.7720(3) . ?
Os1 P1 2.3290(12) . ?
Os1 C1 1.879(5) . ?
Os1 C2 1.888(5) . ?
Os1 C10 2.232(4) . ?
Os1 H 1.71(5) . ?
Os2 Os3 2.8101(3) . ?
Os2 P2 2.3314(12) . ?
Os2 C3 1.919(6) . ?
Os2 C4 1.886(5) . ?
Os2 C5 1.917(5) . ?
Os3 Sb1 2.6343(4) . ?
Os3 C6 1.869(5) . ?
Os3 C7 1.832(5) . ?
Os3 C10 2.399(4) . ?
Os3 H 1.95(5) . ?
Sb1 C33 2.134(5) . ?
Sb1 C39 2.123(5) . ?
Sb1 C45 2.136(5) . ?
P1 C8 1.848(5) . ?
P1 C21 1.827(5) . ?
P1 C27 1.847(5) . ?
P2 C8 1.841(5) . ?
P2 C9 1.804(4) . ?
P2 C15 1.820(5) . ?
C1 O1 1.149(5) . ?
C2 O2 1.152(6) . ?
C3 O3 1.140(6) . ?
C4 O4 1.152(6) . ?
C5 O5 1.145(6) . ?
C6 O6 1.149(6) . ?
C7 O7 1.163(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C9 C10 1.415(6) . ?
C9 C14 1.387(6) . ?
C10 C11 1.417(6) . ?
C11 H11 0.9400 . ?
C11 C12 1.380(6) . ?
C12 H12 0.9400 . ?
C12 C13 1.385(7) . ?
C13 H13 0.9400 . ?
C13 C14 1.381(7) . ?
C14 H14 0.9400 . ?
C15 C16 1.378(7) . ?
C15 C20 1.378(7) . ?
C16 H16 0.9400 . ?
C16 C17 1.394(8) . ?
C17 H17 0.9400 . ?
C17 C18 1.362(9) . ?
C18 H18 0.9400 . ?
C18 C19 1.366(9) . ?
C19 H19 0.9400 . ?
C19 C20 1.379(8) . ?
C20 H20 0.9400 . ?
C21 C22 1.381(7) . ?
C21 C26 1.378(7) . ?
C22 H22 0.9400 . ?
C22 C23 1.384(7) . ?
C23 H23 0.9400 . ?
C23 C24 1.369(8) . ?
C24 H24 0.9400 . ?
C24 C25 1.376(9) . ?
C25 H25 0.9400 . ?
C25 C26 1.380(8) . ?
C26 H26 0.9400 . ?
C27 C28 1.394(7) . ?
C27 C32 1.379(7) . ?
C28 H28 0.9400 . ?
C28 C29 1.373(7) . ?
C29 H29 0.9400 . ?
C29 C30 1.372(8) . ?
C30 H30 0.9400 . ?
C30 C31 1.363(8) . ?
C31 H31 0.9400 . ?
C31 C32 1.395(7) . ?
C32 H32 0.9400 . ?
C33 C34 1.388(7) . ?
C33 C38 1.379(7) . ?
C34 H34 0.9400 . ?
C34 C35 1.382(7) . ?
C35 H35 0.9400 . ?
C35 C36 1.365(9) . ?
C36 H36 0.9400 . ?
C36 C37 1.369(9) . ?
C37 H37 0.9400 . ?
C37 C38 1.384(7) . ?
C38 H38 0.9400 . ?
C39 C40 1.381(6) . ?
C39 C44 1.394(6) . ?
C40 H40 0.9400 . ?
C40 C41 1.385(7) . ?
C41 H41 0.9400 . ?
C41 C42 1.378(7) . ?
C42 H42 0.9400 . ?
C42 C43 1.376(7) . ?
C43 H43 0.9400 . ?
C43 C44 1.377(7) . ?
C44 H44 0.9400 . ?
C45 C46 1.382(7) . ?
C45 C50 1.385(7) . ?
C46 H46 0.9400 . ?
C46 C47 1.387(7) . ?
C47 H47 0.9400 . ?
C47 C48 1.365(8) . ?
C48 H48 0.9400 . ?
C48 C49 1.375(8) . ?
C49 H49 0.9400 . ?
C49 C50 1.381(7) . ?
C50 H50 0.9400 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 Cl1 1.771(10) . ?
C51 Cl2 1.683(10) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os1 P1 C8 P2 -3.7(3) . . . . ?
Os1 P1 C21 C22 36.3(5) . . . . ?
Os1 P1 C21 C26 -146.4(4) . . . . ?
Os1 P1 C27 C28 77.9(4) . . . . ?
Os1 P1 C27 C32 -100.4(4) . . . . ?
Os1 C10 C11 C12 -161.2(4) . . . . ?
Os2 P2 C8 P1 52.6(2) . . . . ?
Os2 P2 C9 C10 -35.5(3) . . . . ?
Os2 P2 C9 C14 152.9(4) . . . . ?
Os2 P2 C15 C16 87.8(5) . . . . ?
Os2 P2 C15 C20 -83.8(5) . . . . ?
Os3 C10 C11 C12 115.9(4) . . . . ?
Sb1 C33 C34 C35 -176.9(4) . . . . ?
Sb1 C33 C38 C37 177.0(4) . . . . ?
Sb1 C39 C40 C41 -176.6(4) . . . . ?
Sb1 C39 C44 C43 177.6(4) . . . . ?
Sb1 C45 C46 C47 179.5(4) . . . . ?
Sb1 C45 C50 C49 -179.9(4) . . . . ?
P1 C21 C22 C23 177.4(5) . . . . ?
P1 C21 C26 C25 -178.6(5) . . . . ?
P1 C27 C28 C29 -179.7(4) . . . . ?
P1 C27 C32 C31 179.5(4) . . . . ?
P2 C9 C10 Os1 -10.8(4) . . . . ?
P2 C9 C10 Os3 67.5(3) . . . . ?
P2 C9 C10 C11 -171.0(3) . . . . ?
P2 C9 C14 C13 171.2(4) . . . . ?
P2 C15 C16 C17 -172.7(5) . . . . ?
P2 C15 C20 C19 174.0(5) . . . . ?
C8 P1 C21 C22 160.5(4) . . . . ?
C8 P1 C21 C26 -22.2(5) . . . . ?
C8 P1 C27 C28 -43.3(4) . . . . ?
C8 P1 C27 C32 138.4(4) . . . . ?
C8 P2 C9 C10 82.3(3) . . . . ?
C8 P2 C9 C14 -89.4(4) . . . . ?
C8 P2 C15 C16 -35.9(5) . . . . ?
C8 P2 C15 C20 152.5(4) . . . . ?
C9 P2 C8 P1 -66.6(3) . . . . ?
C9 P2 C15 C16 -142.4(5) . . . . ?
C9 P2 C15 C20 46.0(5) . . . . ?
C9 C10 C11 C12 -1.3(6) . . . . ?
C10 C9 C14 C13 0.3(7) . . . . ?
C10 C11 C12 C13 0.6(7) . . . . ?
C11 C12 C13 C14 0.6(7) . . . . ?
C12 C13 C14 C9 -1.1(7) . . . . ?
C14 C9 C10 Os1 161.0(3) . . . . ?
C14 C9 C10 Os3 -120.6(4) . . . . ?
C14 C9 C10 C11 0.8(6) . . . . ?
C15 P2 C8 P1 -178.7(2) . . . . ?
C15 P2 C9 C10 -168.5(3) . . . . ?
C15 P2 C9 C14 19.8(5) . . . . ?
C15 C16 C17 C18 -0.8(11) . . . . ?
C16 C15 C20 C19 2.3(9) . . . . ?
C16 C17 C18 C19 1.2(12) . . . . ?
C17 C18 C19 C20 0.2(11) . . . . ?
C18 C19 C20 C15 -2.0(10) . . . . ?
C20 C15 C16 C17 -0.9(9) . . . . ?
C21 P1 C8 P2 -133.2(2) . . . . ?
C21 P1 C27 C28 -151.8(4) . . . . ?
C21 P1 C27 C32 29.9(4) . . . . ?
C21 C22 C23 C24 1.7(10) . . . . ?
C22 C21 C26 C25 -1.3(9) . . . . ?
C22 C23 C24 C25 -2.2(11) . . . . ?
C23 C24 C25 C26 0.9(11) . . . . ?
C24 C25 C26 C21 0.8(10) . . . . ?
C26 C21 C22 C23 0.0(9) . . . . ?
C27 P1 C8 P2 120.9(2) . . . . ?
C27 P1 C21 C22 -91.7(5) . . . . ?
C27 P1 C21 C26 85.5(5) . . . . ?
C27 C28 C29 C30 0.7(9) . . . . ?
C28 C27 C32 C31 1.2(8) . . . . ?
C28 C29 C30 C31 0.2(9) . . . . ?
C29 C30 C31 C32 -0.4(9) . . . . ?
C30 C31 C32 C27 -0.4(9) . . . . ?
C32 C27 C28 C29 -1.4(7) . . . . ?
C33 C34 C35 C36 -0.1(9) . . . . ?
C34 C33 C38 C37 -1.5(8) . . . . ?
C34 C35 C36 C37 -1.5(10) . . . . ?
C35 C36 C37 C38 1.5(9) . . . . ?
C36 C37 C38 C33 0.0(8) . . . . ?
C38 C33 C34 C35 1.6(8) . . . . ?
C39 C40 C41 C42 -0.9(8) . . . . ?
C40 C39 C44 C43 -0.7(7) . . . . ?
C40 C41 C42 C43 -0.9(8) . . . . ?
C41 C42 C43 C44 1.9(8) . . . . ?
C42 C43 C44 C39 -1.1(8) . . . . ?
C44 C39 C40 C41 1.7(7) . . . . ?
C45 C46 C47 C48 0.7(8) . . . . ?
C46 C45 C50 C49 0.2(8) . . . . ?
C46 C47 C48 C49 -0.4(9) . . . . ?
C47 C48 C49 C50 0.0(9) . . . . ?
C48 C49 C50 C45 0.1(8) . . . . ?
C50 C45 C46 C47 -0.6(8) . . . . ?
