#------------------------------------------------------------------------------
#$Date: 2023-01-19 03:04:24 +0100 (Thu 19 de Jan de 2023) $
#$Revision: 280427 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/61/7246160.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_7246160
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         'C69 H52 O8 Os3 P2 Sb2'
_chemical_formula_sum            'C69 H52 O8 Os3 P2 Sb2'
_chemical_formula_weight         1885.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_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.r6403)
;
_audit_update_record
;
2022-02-16 deposited with the CCDC.	2022-12-19 downloaded from the CCDC.
;
_cell_angle_alpha                101.908(2)
_cell_angle_beta                 98.475(2)
_cell_angle_gamma                94.176(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9842(5)
_cell_length_b                   12.2615(4)
_cell_length_c                   22.7266(9)
_cell_measurement_reflns_used    9803
_cell_measurement_temperature    193(1)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.44
_cell_volume                     3213.6(2)
_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      193(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_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  0.0447
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            74004
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_min         2.229
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.843
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1020 before and 0.0517 after correction.
The Ratio of minimum to maximum transmission is 0.6690.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_description       plate
_exptl_crystal_F_000             1780
_exptl_crystal_size_max          0.225
_exptl_crystal_size_mid          0.108
_exptl_crystal_size_min          0.038
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.902
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         15929
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0248P)²+6.6432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0642
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12641
_reflns_number_total             15929
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ra07284j2.cif
_cod_data_source_block           fi_2c_a
_cod_database_code               7246160
_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.
;
_shelx_estimated_absorpt_t_max   0.781
_shelx_estimated_absorpt_t_min   0.308
_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:
 C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C12(H12), C13(H13), C014(H014), C14(H14), C17(H17),
 C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26),
  C27(H27), 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), C52(H52), C53(H53),
 C54(H54), C55(H55), C56(H56), C58(H58), C59(H59), C60(H60), C61(H61), C62(H62),
  C64(H64), C65(H65), C66(H66), C67(H67), C68(H68)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.31541(2) 0.33170(2) 0.20358(2) 0.01823(4) Uani 1 1 d . . . . .
Os2 Os 0.56046(2) 0.36956(2) 0.26532(2) 0.01809(4) Uani 1 1 d . . . . .
Os3 Os 0.54654(2) 0.14823(2) 0.30228(2) 0.01832(4) Uani 1 1 d . . . . .
Sb1 Sb 0.36939(3) 0.12981(2) 0.21327(2) 0.01869(7) Uani 1 1 d . . . . .
Sb2 Sb 0.70784(3) 0.20932(2) 0.39923(2) 0.02051(7) Uani 1 1 d . . . . .
P1 P 0.29622(10) 0.52116(9) 0.21402(5) 0.0202(2) Uani 1 1 d . . . . .
P2 P 0.56030(10) 0.54257(9) 0.24004(5) 0.0195(2) Uani 1 1 d . . . . .
C1 C 0.2673(4) 0.3331(4) 0.2809(2) 0.0268(11) Uani 1 1 d . . . . .
C2 C 0.3577(4) 0.3211(4) 0.1247(2) 0.0262(10) Uani 1 1 d . . . . .
C3 C 0.4991(4) 0.4298(4) 0.3371(2) 0.0235(10) Uani 1 1 d . . . . .
C4 C 0.7177(4) 0.3885(4) 0.2955(2) 0.0240(10) Uani 1 1 d . . . . .
C5 C 0.5781(4) 0.2920(4) 0.1840(2) 0.0259(10) Uani 1 1 d . . . . .
C6 C 0.4475(4) 0.2024(3) 0.3593(2) 0.0232(10) Uani 1 1 d . . . . .
C7 C 0.5293(4) -0.0037(4) 0.3078(2) 0.0250(10) Uani 1 1 d . . . . .
C8 C 0.6546(4) 0.1224(4) 0.2460(2) 0.0252(10) Uani 1 1 d . . . . .
O1 O 0.2343(3) 0.3319(3) 0.32568(16) 0.0376(9) Uani 1 1 d . . . . .
O2 O 0.3788(3) 0.3129(3) 0.07647(16) 0.0371(9) Uani 1 1 d . . . . .
O3 O 0.4641(3) 0.4721(3) 0.37973(15) 0.0325(8) Uani 1 1 d . . . . .
O4 O 0.8141(3) 0.3999(3) 0.30992(16) 0.0351(8) Uani 1 1 d . . . . .
O5 O 0.5937(3) 0.2474(3) 0.13711(15) 0.0352(8) Uani 1 1 d . . . . .
O6 O 0.3922(3) 0.2300(3) 0.39523(16) 0.0343(8) Uani 1 1 d . . . . .
O7 O 0.5174(3) -0.0960(3) 0.30956(18) 0.0403(9) Uani 1 1 d . . . . .
O8 O 0.7192(3) 0.1055(3) 0.21456(17) 0.0407(9) Uani 1 1 d . . . . .
C9 C 0.1415(4) 0.2829(4) 0.1623(2) 0.0254(10) Uani 1 1 d . . . . .
C10 C 0.0506(4) 0.3054(4) 0.1944(3) 0.0343(12) Uani 1 1 d . . . . .
H10 H 0.0673 0.3457 0.2357 0.041 Uiso 1 1 calc R U . . .
C11 C -0.0618(5) 0.2714(5) 0.1685(3) 0.0474(15) Uani 1 1 d . . . . .
H11 H -0.1197 0.2881 0.1923 0.057 Uiso 1 1 calc R U . . .
C12 C -0.0904(5) 0.2145(5) 0.1094(3) 0.0523(17) Uani 1 1 d . . . . .
H12 H -0.1675 0.1903 0.0920 0.063 Uiso 1 1 calc R U . . .
C13 C -0.0054(5) 0.1927(5) 0.0752(3) 0.0432(14) Uani 1 1 d . . . . .
H13 H -0.0242 0.1544 0.0336 0.052 Uiso 1 1 calc R U . . .
C014 C 0.7012(4) 0.6591(4) 0.3485(2) 0.0317(12) Uani 1 1 d . . . . .
H014 H 0.6750 0.6001 0.3660 0.038 Uiso 1 1 calc R U . . .
C14 C 0.1073(5) 0.2260(4) 0.1009(2) 0.0334(12) Uani 1 1 d . . . . .
H14 H 0.1640 0.2097 0.0762 0.040 Uiso 1 1 calc R U . . .
C15 C 0.4300(4) 0.6105(4) 0.2486(2) 0.0211(9) Uani 1 1 d . . . . .
H15A H 0.4329 0.6769 0.2302 0.025 Uiso 1 1 calc R U . . .
H15B H 0.4290 0.6376 0.2927 0.025 Uiso 1 1 calc R U . . .
C16 C 0.1960(4) 0.5719(4) 0.2646(2) 0.0253(10) Uani 1 1 d . . . . .
C17 C 0.2233(4) 0.5845(4) 0.3272(2) 0.0313(11) Uani 1 1 d . . . . .
H17 H 0.2989 0.5787 0.3450 0.038 Uiso 1 1 calc R U . . .
C18 C 0.1411(5) 0.6057(5) 0.3643(3) 0.0419(14) Uani 1 1 d . . . . .
H18 H 0.1606 0.6124 0.4070 0.050 Uiso 1 1 calc R U . . .
C19 C 0.0324(5) 0.6168(5) 0.3395(3) 0.0434(14) Uani 1 1 d . . . . .
H19 H -0.0233 0.6320 0.3650 0.052 Uiso 1 1 calc R U . . .
C20 C 0.0044(5) 0.6060(4) 0.2776(3) 0.0400(14) Uani 1 1 d . . . . .
H20 H -0.0709 0.6138 0.2603 0.048 Uiso 1 1 calc R U . . .
C21 C 0.0855(4) 0.5836(4) 0.2401(2) 0.0297(11) Uani 1 1 d . . . . .
H21 H 0.0652 0.5764 0.1974 0.036 Uiso 1 1 calc R U . . .
C22 C 0.2452(4) 0.5775(4) 0.1479(2) 0.0221(10) Uani 1 1 d . . . . .
C23 C 0.1894(4) 0.5066(4) 0.0941(2) 0.0285(11) Uani 1 1 d . . . . .
H23 H 0.1798 0.4279 0.0912 0.034 Uiso 1 1 calc R U . . .
C24 C 0.1480(5) 0.5505(5) 0.0447(2) 0.0363(12) Uani 1 1 d . . . . .
H24 H 0.1100 0.5014 0.0081 0.044 Uiso 1 1 calc R U . . .
C25 C 0.1609(5) 0.6642(5) 0.0478(3) 0.0395(13) Uani 1 1 d . . . . .
H25 H 0.1332 0.6935 0.0136 0.047 Uiso 1 1 calc R U . . .
C26 C 0.2146(5) 0.7344(4) 0.1012(3) 0.0384(13) Uani 1 1 d . . . . .
H26 H 0.2244 0.8129 0.1038 0.046 Uiso 1 1 calc R U . . .
C27 C 0.2540(4) 0.6926(4) 0.1505(2) 0.0311(11) Uani 1 1 d . . . . .
H27 H 0.2882 0.7429 0.1875 0.037 Uiso 1 1 calc R U . . .
C28 C 0.6645(4) 0.6559(4) 0.2881(2) 0.0229(10) Uani 1 1 d . . . . .
C29 C 0.7029(4) 0.7435(4) 0.2629(2) 0.0308(11) Uani 1 1 d . . . . .
H29 H 0.6773 0.7429 0.2213 0.037 Uiso 1 1 calc R U . . .
C30 C 0.7786(5) 0.8316(4) 0.2990(3) 0.0382(13) Uani 1 1 d . . . . .
H30 H 0.8048 0.8913 0.2820 0.046 Uiso 1 1 calc R U . . .
C31 C 0.8152(5) 0.8323(4) 0.3591(3) 0.0421(15) Uani 1 1 d . . . . .
H31 H 0.8679 0.8920 0.3834 0.050 Uiso 1 1 calc R U . . .
C32 C 0.7763(5) 0.7476(4) 0.3845(3) 0.0399(14) Uani 1 1 d . . . . .
H32 H 0.8006 0.7494 0.4264 0.048 Uiso 1 1 calc R U . . .
C33 C 0.5924(4) 0.5441(4) 0.1646(2) 0.0245(10) Uani 1 1 d . . . . .
C34 C 0.5272(4) 0.5882(4) 0.1220(2) 0.0302(11) Uani 1 1 d . . . . .
H34 H 0.4599 0.6197 0.1311 0.036 Uiso 1 1 calc R U . . .
C35 C 0.5600(5) 0.5866(4) 0.0656(2) 0.0389(13) Uani 1 1 d . . . . .
H35 H 0.5149 0.6174 0.0364 0.047 Uiso 1 1 calc R U . . .
C36 C 0.6564(6) 0.5410(5) 0.0517(3) 0.0516(17) Uani 1 1 d . . . . .
H36 H 0.6774 0.5390 0.0128 0.062 Uiso 1 1 calc R U . . .
C37 C 0.7228(5) 0.4982(5) 0.0945(3) 0.0488(16) Uani 1 1 d . . . . .
H37 H 0.7903 0.4674 0.0852 0.059 Uiso 1 1 calc R U . . .
C38 C 0.6918(4) 0.4998(4) 0.1508(2) 0.0332(12) Uani 1 1 d . . . . .
H38 H 0.7382 0.4707 0.1803 0.040 Uiso 1 1 calc R U . . .
C39 C 0.2311(4) 0.0234(4) 0.2296(2) 0.0242(10) Uani 1 1 d . . . . .
C40 C 0.2419(4) -0.0435(4) 0.2716(2) 0.0299(11) Uani 1 1 d . . . . .
H40 H 0.3129 -0.0405 0.2970 0.036 Uiso 1 1 calc R U . . .
C41 C 0.1506(5) -0.1156(4) 0.2775(3) 0.0398(13) Uani 1 1 d . . . . .
H41 H 0.1599 -0.1628 0.3057 0.048 Uiso 1 1 calc R U . . .
C42 C 0.0487(5) -0.1173(5) 0.2424(3) 0.0514(17) Uani 1 1 d . . . . .
H42 H -0.0136 -0.1668 0.2457 0.062 Uiso 1 1 calc R U . . .
C43 C 0.0345(5) -0.0487(6) 0.2021(4) 0.061(2) Uani 1 1 d . . . . .
H43 H -0.0382 -0.0486 0.1789 0.073 Uiso 1 1 calc R U . . .
C44 C 0.1256(5) 0.0207(5) 0.1949(3) 0.0457(15) Uani 1 1 d . . . . .
H44 H 0.1156 0.0666 0.1660 0.055 Uiso 1 1 calc R U . . .
C45 C 0.4023(4) 0.0184(4) 0.1328(2) 0.0265(11) Uani 1 1 d . . . . .
C46 C 0.4791(5) -0.0589(4) 0.1370(3) 0.0386(13) Uani 1 1 d . . . . .
H46 H 0.5199 -0.0615 0.1758 0.046 Uiso 1 1 calc R U . . .
C47 C 0.4975(6) -0.1330(5) 0.0853(3) 0.0556(18) Uani 1 1 d . . . . .
H47 H 0.5504 -0.1863 0.0888 0.067 Uiso 1 1 calc R U . . .
C48 C 0.4397(7) -0.1298(5) 0.0291(3) 0.060(2) Uani 1 1 d . . . . .
H48 H 0.4531 -0.1798 -0.0065 0.072 Uiso 1 1 calc R U . . .
C49 C 0.3624(7) -0.0538(5) 0.0247(3) 0.0585(19) Uani 1 1 d . . . . .
H49 H 0.3214 -0.0520 -0.0141 0.070 Uiso 1 1 calc R U . . .
C50 C 0.3429(5) 0.0209(4) 0.0764(2) 0.0412(14) Uani 1 1 d . . . . .
H50 H 0.2890 0.0733 0.0728 0.049 Uiso 1 1 calc R U . . .
C51 C 0.6717(4) 0.1307(4) 0.4708(2) 0.0241(10) Uani 1 1 d . . . . .
C52 C 0.6584(5) 0.1885(4) 0.5269(2) 0.0347(12) Uani 1 1 d . . . . .
H52 H 0.6626 0.2680 0.5349 0.042 Uiso 1 1 calc R U . . .
C53 C 0.6389(5) 0.1332(5) 0.5725(3) 0.0441(15) Uani 1 1 d . . . . .
H53 H 0.6304 0.1744 0.6115 0.053 Uiso 1 1 calc R U . . .
C54 C 0.6319(5) 0.0182(5) 0.5605(2) 0.0370(13) Uani 1 1 d . . . . .
H54 H 0.6189 -0.0203 0.5915 0.044 Uiso 1 1 calc R U . . .
C55 C 0.6437(4) -0.0410(4) 0.5042(2) 0.0336(12) Uani 1 1 d . . . . .
H55 H 0.6390 -0.1205 0.4962 0.040 Uiso 1 1 calc R U . . .
C56 C 0.6626(4) 0.0149(4) 0.4590(2) 0.0321(12) Uani 1 1 d . . . . .
H56 H 0.6694 -0.0264 0.4196 0.039 Uiso 1 1 calc R U . . .
C57 C 0.8764(4) 0.1662(4) 0.3973(2) 0.0234(10) Uani 1 1 d . . . . .
C58 C 0.9355(4) 0.1368(4) 0.4484(2) 0.0334(12) Uani 1 1 d . . . . .
H58 H 0.9010 0.1366 0.4834 0.040 Uiso 1 1 calc R U . . .
C59 C 1.0449(5) 0.1078(4) 0.4475(3) 0.0400(14) Uani 1 1 d . . . . .
H59 H 1.0857 0.0873 0.4820 0.048 Uiso 1 1 calc R U . . .
C60 C 1.0946(5) 0.1088(4) 0.3971(3) 0.0436(15) Uani 1 1 d . . . . .
H60 H 1.1696 0.0885 0.3968 0.052 Uiso 1 1 calc R U . . .
C61 C 1.0376(5) 0.1385(5) 0.3472(3) 0.0444(15) Uani 1 1 d . . . . .
H61 H 1.0731 0.1387 0.3126 0.053 Uiso 1 1 calc R U . . .
C62 C 0.9279(4) 0.1683(4) 0.3468(2) 0.0346(12) Uani 1 1 d . . . . .
H62 H 0.8887 0.1899 0.3123 0.042 Uiso 1 1 calc R U . . .
C63 C 0.7396(4) 0.3794(4) 0.4473(2) 0.0223(10) Uani 1 1 d . . . . .
C64 C 0.6571(4) 0.4303(4) 0.4763(2) 0.0311(11) Uani 1 1 d . . . . .
H64 H 0.5850 0.3898 0.4733 0.037 Uiso 1 1 calc R U . . .
C65 C 0.6791(5) 0.5403(4) 0.5098(2) 0.0354(12) Uani 1 1 d . . . . .
H65 H 0.6225 0.5744 0.5302 0.042 Uiso 1 1 calc R U . . .
C66 C 0.7826(5) 0.5999(4) 0.5136(2) 0.0405(14) Uani 1 1 d . . . . .
H66 H 0.7978 0.6748 0.5367 0.049 Uiso 1 1 calc R U . . .
C67 C 0.8642(5) 0.5505(4) 0.4837(2) 0.0382(13) Uani 1 1 d . . . . .
H67 H 0.9352 0.5920 0.4854 0.046 Uiso 1 1 calc R U . . .
C68 C 0.8430(4) 0.4403(4) 0.4510(2) 0.0294(11) Uani 1 1 d . . . . .
H68 H 0.9001 0.4064 0.4310 0.035 Uiso 1 1 calc R U . . .
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'
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
Sb1 Os1 Os2 75.271(9) . . ?
P1 Os1 Os2 94.12(3) . . ?
P1 Os1 Sb1 167.76(3) . . ?
C1 Os1 Os2 90.19(14) . . ?
C1 Os1 Sb1 83.07(13) . . ?
C1 Os1 P1 90.99(14) . . ?
C1 Os1 C9 87.21(19) . . ?
C2 Os1 Os2 91.95(14) . . ?
C2 Os1 Sb1 94.54(13) . . ?
C2 Os1 P1 91.87(14) . . ?
C2 Os1 C1 176.30(19) . . ?
C2 Os1 C9 90.28(19) . . ?
C9 Os1 Os2 172.35(12) . . ?
C9 Os1 Sb1 97.26(12) . . ?
C9 Os1 P1 93.11(12) . . ?
Os3 Os2 Os1 92.473(7) . . ?
P2 Os2 Os1 85.14(3) . . ?
P2 Os2 Os3 176.03(3) . . ?
C3 Os2 Os1 84.20(14) . . ?
C3 Os2 Os3 87.35(13) . . ?
C3 Os2 P2 89.26(13) . . ?
C3 Os2 C5 163.8(2) . . ?
C4 Os2 Os1 173.88(13) . . ?
C4 Os2 Os3 88.64(14) . . ?
C4 Os2 P2 94.07(14) . . ?
C4 Os2 C3 101.86(19) . . ?
C4 Os2 C5 93.91(19) . . ?
C5 Os2 Os1 80.10(14) . . ?
C5 Os2 Os3 89.19(13) . . ?
C5 Os2 P2 93.52(14) . . ?
Sb1 Os3 Os2 75.292(8) . . ?
Sb2 Os3 Os2 95.815(9) . . ?
Sb2 Os3 Sb1 167.637(11) . . ?
C6 Os3 Os2 90.47(13) . . ?
C6 Os3 Sb1 87.56(14) . . ?
C6 Os3 Sb2 83.89(14) . . ?
C6 Os3 C8 169.60(19) . . ?
C7 Os3 Os2 167.95(14) . . ?
C7 Os3 Sb1 95.44(14) . . ?
C7 Os3 Sb2 94.44(14) . . ?
C7 Os3 C6 96.90(19) . . ?
C7 Os3 C8 93.3(2) . . ?
C8 Os3 Os2 79.85(14) . . ?
C8 Os3 Sb1 93.58(14) . . ?
C8 Os3 Sb2 93.25(14) . . ?
Os1 Sb1 Os3 109.790(11) . . ?
C39 Sb1 Os1 113.40(12) . . ?
C39 Sb1 Os3 109.56(13) . . ?
C45 Sb1 Os1 117.84(13) . . ?
C45 Sb1 Os3 108.87(14) . . ?
C45 Sb1 C39 96.61(17) . . ?
C51 Sb2 Os3 111.26(12) . . ?
C57 Sb2 Os3 121.93(12) . . ?
C57 Sb2 C51 97.95(18) . . ?
C63 Sb2 Os3 120.36(12) . . ?
C63 Sb2 C51 100.26(18) . . ?
C63 Sb2 C57 100.94(17) . . ?
C15 P1 Os1 112.69(14) . . ?
C16 P1 Os1 113.63(15) . . ?
C16 P1 C15 103.9(2) . . ?
C22 P1 Os1 120.73(15) . . ?
C22 P1 C15 103.4(2) . . ?
C22 P1 C16 100.5(2) . . ?
C15 P2 Os2 114.79(15) . . ?
C15 P2 C28 98.9(2) . . ?
C28 P2 Os2 116.74(16) . . ?
C33 P2 Os2 114.67(15) . . ?
C33 P2 C15 108.4(2) . . ?
C33 P2 C28 101.5(2) . . ?
O1 C1 Os1 177.2(4) . . ?
O2 C2 Os1 177.3(4) . . ?
O3 C3 Os2 176.0(4) . . ?
O4 C4 Os2 175.4(4) . . ?
O5 C5 Os2 176.8(4) . . ?
O6 C6 Os3 175.6(4) . . ?
O7 C7 Os3 178.2(5) . . ?
O8 C8 Os3 177.8(4) . . ?
C10 C9 Os1 122.7(4) . . ?
C14 C9 Os1 123.4(4) . . ?
C14 C9 C10 113.9(5) . . ?
C9 C10 H10 118.5 . . ?
C11 C10 C9 123.0(5) . . ?
C11 C10 H10 118.5 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.9(6) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.6 . . ?
C11 C12 C13 118.8(6) . . ?
C13 C12 H12 120.6 . . ?
C12 C13 H13 119.7 . . ?
C12 C13 C14 120.6(6) . . ?
C14 C13 H13 119.7 . . ?
C28 C014 H014 119.6 . . ?
C28 C014 C32 120.9(5) . . ?
C32 C014 H014 119.6 . . ?
C9 C14 H14 118.6 . . ?
C13 C14 C9 122.8(5) . . ?
C13 C14 H14 118.6 . . ?
P1 C15 H15A 108.4 . . ?
P1 C15 H15B 108.4 . . ?
P2 C15 P1 115.4(2) . . ?
P2 C15 H15A 108.4 . . ?
P2 C15 H15B 108.4 . . ?
H15A C15 H15B 107.5 . . ?
C17 C16 P1 121.1(4) . . ?
C17 C16 C21 118.2(4) . . ?
C21 C16 P1 120.1(4) . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.7(5) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(5) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.5(5) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.5(5) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 120.6(5) . . ?
C16 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 P1 120.5(3) . . ?
C23 C22 C27 117.8(4) . . ?
C27 C22 P1 121.6(4) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(5) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.5 . . ?
C25 C24 C23 121.0(5) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 120.5 . . ?
C26 C25 C24 119.0(5) . . ?
C26 C25 H25 120.5 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.7(5) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 H27 119.3 . . ?
C26 C27 C22 121.4(5) . . ?
C26 C27 H27 119.3 . . ?
C014 C28 P2 121.8(4) . . ?
C014 C28 C29 119.1(4) . . ?
C29 C28 P2 119.0(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.9(5) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 119.9(5) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.6(5) . . ?
C32 C31 H31 119.7 . . ?
C014 C32 H32 120.2 . . ?
C31 C32 C014 119.6(5) . . ?
C31 C32 H32 120.2 . . ?
C34 C33 P2 124.2(4) . . ?
C34 C33 C38 119.3(4) . . ?
C38 C33 P2 116.4(4) . . ?
C33 C34 H34 120.1 . . ?
C33 C34 C35 119.8(5) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.6 . . ?
C36 C35 C34 120.8(5) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.6(5) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.3(5) . . ?
C38 C37 H37 119.9 . . ?
C33 C38 H38 119.9 . . ?
C37 C38 C33 120.2(5) . . ?
C37 C38 H38 119.9 . . ?
C40 C39 Sb1 124.1(4) . . ?
C40 C39 C44 118.1(5) . . ?
C44 C39 Sb1 117.7(4) . . ?
C39 C40 H40 119.3 . . ?
C39 C40 C41 121.4(5) . . ?
C41 C40 H40 119.3 . . ?
C40 C41 H41 120.4 . . ?
C42 C41 C40 119.1(5) . . ?
C42 C41 H41 120.4 . . ?
C41 C42 H42 119.6 . . ?
C41 C42 C43 120.7(5) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.3(6) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 C43 120.3(6) . . ?
C39 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C46 C45 Sb1 120.8(4) . . ?
C46 C45 C50 119.2(5) . . ?
C50 C45 Sb1 120.0(4) . . ?
C45 C46 H46 119.7 . . ?
C45 C46 C47 120.7(6) . . ?
C47 C46 H46 119.7 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.3(6) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 120.3 . . ?
C49 C48 C47 119.3(6) . . ?
C49 C48 H48 120.3 . . ?
C48 C49 H49 119.5 . . ?
C48 C49 C50 120.9(6) . . ?
C50 C49 H49 119.5 . . ?
C45 C50 C49 119.6(6) . . ?
C45 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?
C52 C51 Sb2 123.5(4) . . ?
C52 C51 C56 119.1(4) . . ?
C56 C51 Sb2 117.3(3) . . ?
C51 C52 H52 119.5 . . ?
C51 C52 C53 121.1(5) . . ?
C53 C52 H52 119.5 . . ?
C52 C53 H53 120.4 . . ?
C54 C53 C52 119.2(5) . . ?
C54 C53 H53 120.4 . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.4(5) . . ?
C55 C54 H54 119.8 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 119.9(5) . . ?
C56 C55 H55 120.0 . . ?
C51 C56 C55 120.2(5) . . ?
C51 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
C58 C57 Sb2 118.9(4) . . ?
C62 C57 Sb2 121.1(4) . . ?
C62 C57 C58 120.0(5) . . ?
C57 C58 H58 120.3 . . ?
C59 C58 C57 119.4(5) . . ?
C59 C58 H58 120.3 . . ?
C58 C59 H59 119.9 . . ?
C60 C59 C58 120.2(5) . . ?
C60 C59 H59 119.9 . . ?
C59 C60 H60 119.7 . . ?
C61 C60 C59 120.7(5) . . ?
C61 C60 H60 119.7 . . ?
C60 C61 H61 119.8 . . ?
C60 C61 C62 120.5(5) . . ?
C62 C61 H61 119.8 . . ?
C57 C62 C61 119.3(5) . . ?
C57 C62 H62 120.4 . . ?
C61 C62 H62 120.4 . . ?
C64 C63 Sb2 120.1(4) . . ?
C68 C63 Sb2 120.8(3) . . ?
C68 C63 C64 119.0(4) . . ?
C63 C64 H64 119.8 . . ?
C63 C64 C65 120.3(5) . . ?
C65 C64 H64 119.8 . . ?
C64 C65 H65 119.9 . . ?
C66 C65 C64 120.2(5) . . ?
C66 C65 H65 119.9 . . ?
C65 C66 H66 120.1 . . ?
C65 C66 C67 119.8(5) . . ?
C67 C66 H66 120.1 . . ?
C66 C67 H67 119.9 . . ?
C66 C67 C68 120.1(5) . . ?
C68 C67 H67 119.9 . . ?
C63 C68 C67 120.6(5) . . ?
C63 C68 H68 119.7 . . ?
C67 C68 H68 119.7 . . ?
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 3.0211(3) . ?
Os1 Sb1 2.6479(3) . ?
Os1 P1 2.3177(11) . ?
Os1 C1 1.926(5) . ?
Os1 C2 1.916(5) . ?
Os1 C9 2.143(5) . ?
Os2 Os3 3.0024(3) . ?
Os2 P2 2.3096(12) . ?
Os2 C3 1.919(5) . ?
Os2 C4 1.888(5) . ?
Os2 C5 1.945(5) . ?
Os3 Sb1 2.6695(4) . ?
Os3 Sb2 2.6468(4) . ?
Os3 C6 1.935(5) . ?
Os3 C7 1.891(5) . ?
Os3 C8 1.947(5) . ?
Sb1 C39 2.157(5) . ?
Sb1 C45 2.150(4) . ?
Sb2 C51 2.135(5) . ?
Sb2 C57 2.129(4) . ?
Sb2 C63 2.123(4) . ?
P1 C15 1.846(4) . ?
P1 C16 1.836(5) . ?
P1 C22 1.825(5) . ?
P2 C15 1.839(4) . ?
P2 C28 1.845(5) . ?
P2 C33 1.816(5) . ?
C1 O1 1.146(6) . ?
C2 O2 1.147(6) . ?
C3 O3 1.153(5) . ?
C4 O4 1.144(5) . ?
C5 O5 1.141(5) . ?
C6 O6 1.139(5) . ?
C7 O7 1.140(5) . ?
C8 O8 1.131(5) . ?
C9 C10 1.411(7) . ?
C9 C14 1.410(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.361(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.386(7) . ?
C014 H014 0.9500 . ?
C014 C28 1.369(7) . ?
C014 C32 1.389(7) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.386(7) . ?
C16 C21 1.388(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.392(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.369(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.373(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(7) . ?
C22 C27 1.396(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.377(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.373(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.362(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.397(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.391(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.368(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.374(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.376(7) . ?
C33 C38 1.394(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.392(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.370(8) . ?
C36 H36 0.9500 . ?
C36 C37 1.377(8) . ?
C37 H37 0.9500 . ?
C37 C38 1.382(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.379(7) . ?
C39 C44 1.382(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.395(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.353(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.367(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.384(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.376(7) . ?
C45 C50 1.379(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.387(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.370(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.368(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.394(8) . ?
C50 H50 0.9500 . ?
C51 C52 1.361(7) . ?
C51 C56 1.383(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.388(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.373(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.366(7) . ?
C55 H55 0.9500 . ?
C55 C56 1.385(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.395(7) . ?
C57 C62 1.385(7) . ?
C58 H58 0.9500 . ?
C58 C59 1.385(7) . ?
C59 H59 0.9500 . ?
C59 C60 1.369(8) . ?
C60 H60 0.9500 . ?
C60 C61 1.364(8) . ?
C61 H61 0.9500 . ?
C61 C62 1.389(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.383(6) . ?
C63 C68 1.381(7) . ?
C64 H64 0.9500 . ?
C64 C65 1.391(7) . ?
C65 H65 0.9500 . ?
C65 C66 1.375(8) . ?
C66 H66 0.9500 . ?
C66 C67 1.377(8) . ?
C67 H67 0.9500 . ?
C67 C68 1.386(7) . ?
C68 H68 0.9500 . ?
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 C15 P2 23.8(3) . . . . ?
Os1 P1 C16 C17 72.7(4) . . . . ?
Os1 P1 C16 C21 -98.5(4) . . . . ?
Os1 P1 C22 C23 17.0(4) . . . . ?
Os1 P1 C22 C27 -167.1(3) . . . . ?
Os1 C9 C10 C11 -178.2(4) . . . . ?
Os1 C9 C14 C13 178.5(4) . . . . ?
Os2 P2 C15 P1 -48.6(3) . . . . ?
Os2 P2 C28 C014 -29.9(4) . . . . ?
Os2 P2 C28 C29 153.2(3) . . . . ?
Os2 P2 C33 C34 128.9(4) . . . . ?
Os2 P2 C33 C38 -52.9(4) . . . . ?
Sb1 C39 C40 C41 -176.1(4) . . . . ?
Sb1 C39 C44 C43 178.0(5) . . . . ?
Sb1 C45 C46 C47 177.9(4) . . . . ?
Sb1 C45 C50 C49 -178.1(5) . . . . ?
Sb2 C51 C52 C53 -177.7(4) . . . . ?
Sb2 C51 C56 C55 177.5(4) . . . . ?
Sb2 C57 C58 C59 179.6(4) . . . . ?
Sb2 C57 C62 C61 -179.4(4) . . . . ?
Sb2 C63 C64 C65 177.5(4) . . . . ?
Sb2 C63 C68 C67 -178.5(4) . . . . ?
P1 C16 C17 C18 -169.7(4) . . . . ?
P1 C16 C21 C20 170.5(4) . . . . ?
P1 C22 C23 C24 178.0(4) . . . . ?
P1 C22 C27 C26 -179.2(4) . . . . ?
P2 C28 C29 C30 177.9(4) . . . . ?
P2 C33 C34 C35 179.2(4) . . . . ?
P2 C33 C38 C37 -179.7(4) . . . . ?
C9 C10 C11 C12 -0.7(9) . . . . ?
C10 C9 C14 C13 -1.6(7) . . . . ?
C10 C11 C12 C13 -1.0(9) . . . . ?
C11 C12 C13 C14 1.4(9) . . . . ?
C12 C13 C14 C9 0.0(8) . . . . ?
C014 C28 C29 C30 0.8(7) . . . . ?
C14 C9 C10 C11 1.9(7) . . . . ?
C15 P1 C16 C17 -50.1(4) . . . . ?
C15 P1 C16 C21 138.7(4) . . . . ?
C15 P1 C22 C23 144.2(4) . . . . ?
C15 P1 C22 C27 -40.0(4) . . . . ?
C15 P2 C28 C014 93.8(4) . . . . ?
C15 P2 C28 C29 -83.2(4) . . . . ?
C15 P2 C33 C34 -0.8(5) . . . . ?
C15 P2 C33 C38 177.4(4) . . . . ?
C16 P1 C15 P2 147.2(3) . . . . ?
C16 P1 C22 C23 -108.7(4) . . . . ?
C16 P1 C22 C27 67.2(4) . . . . ?
C16 C17 C18 C19 -1.5(8) . . . . ?
C17 C16 C21 C20 -0.9(7) . . . . ?
C17 C18 C19 C20 0.6(8) . . . . ?
C18 C19 C20 C21 0.1(8) . . . . ?
C19 C20 C21 C16 0.1(8) . . . . ?
C21 C16 C17 C18 1.6(7) . . . . ?
C22 P1 C15 P2 -108.2(3) . . . . ?
C22 P1 C16 C17 -156.9(4) . . . . ?
C22 P1 C16 C21 31.9(4) . . . . ?
C22 C23 C24 C25 0.0(8) . . . . ?
C23 C22 C27 C26 -3.3(7) . . . . ?
C23 C24 C25 C26 -0.9(8) . . . . ?
C24 C25 C26 C27 -0.4(8) . . . . ?
C25 C26 C27 C22 2.5(8) . . . . ?
C27 C22 C23 C24 2.0(7) . . . . ?
C28 P2 C15 P1 -173.7(3) . . . . ?
C28 P2 C33 C34 -104.3(4) . . . . ?
C28 P2 C33 C38 73.9(4) . . . . ?
C28 C014 C32 C31 -0.7(8) . . . . ?
C28 C29 C30 C31 -0.1(7) . . . . ?
C29 C30 C31 C32 -1.1(8) . . . . ?
C30 C31 C32 C014 1.5(8) . . . . ?
C32 C014 C28 P2 -177.4(4) . . . . ?
C32 C014 C28 C29 -0.5(7) . . . . ?
C33 P2 C15 P1 81.0(3) . . . . ?
C33 P2 C28 C014 -155.3(4) . . . . ?
C33 P2 C28 C29 27.7(4) . . . . ?
C33 C34 C35 C36 0.3(8) . . . . ?
C34 C33 C38 C37 -1.4(8) . . . . ?
C34 C35 C36 C37 -1.2(9) . . . . ?
C35 C36 C37 C38 0.8(10) . . . . ?
C36 C37 C38 C33 0.5(9) . . . . ?
C38 C33 C34 C35 1.0(7) . . . . ?
C39 C40 C41 C42 -1.8(8) . . . . ?
C40 C39 C44 C43 -0.7(9) . . . . ?
C40 C41 C42 C43 -0.7(9) . . . . ?
C41 C42 C43 C44 2.6(11) . . . . ?
C42 C43 C44 C39 -1.8(10) . . . . ?
C44 C39 C40 C41 2.5(7) . . . . ?
C45 C46 C47 C48 0.4(10) . . . . ?
C46 C45 C50 C49 -0.6(8) . . . . ?
C46 C47 C48 C49 -1.0(10) . . . . ?
C47 C48 C49 C50 0.8(11) . . . . ?
C48 C49 C50 C45 0.0(10) . . . . ?
C50 C45 C46 C47 0.5(8) . . . . ?
C51 C52 C53 C54 -0.5(9) . . . . ?
C52 C51 C56 C55 -1.9(8) . . . . ?
C52 C53 C54 C55 -0.2(9) . . . . ?
C53 C54 C55 C56 -0.1(8) . . . . ?
C54 C55 C56 C51 1.2(8) . . . . ?
C56 C51 C52 C53 1.6(8) . . . . ?
C57 C58 C59 C60 0.3(8) . . . . ?
C58 C57 C62 C61 1.4(7) . . . . ?
C58 C59 C60 C61 0.3(8) . . . . ?
C59 C60 C61 C62 0.0(9) . . . . ?
C60 C61 C62 C57 -0.8(8) . . . . ?
C62 C57 C58 C59 -1.2(7) . . . . ?
C63 C64 C65 C66 1.0(8) . . . . ?
C64 C63 C68 C67 0.5(7) . . . . ?
C64 C65 C66 C67 0.5(8) . . . . ?
C65 C66 C67 C68 -1.5(8) . . . . ?
C66 C67 C68 C63 1.0(8) . . . . ?
C68 C63 C64 C65 -1.5(7) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 255.2 44.5 ?
2 -0.090 0.139 0.594 12.4 0.0 ?
3 0.090 0.861 0.406 12.4 0.0 ?
4 0.460 0.303 0.556 10.4 0.2 ?
5 0.540 0.697 0.444 10.4 0.0 ?
