#------------------------------------------------------------------------------
#$Date: 2022-06-24 02:14:29 +0300 (Fri, 24 Jun 2022) $
#$Revision: 276210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/05/7710573.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_7710573
loop_
_publ_author_name
'Parr, Joseph Michael'
'Olivar, Clarissa'
'Saal, Thomas'
'Haiges, Ralf'
'Inkpen , Michael Stephen'
_publ_section_title
;
 Pushing steric limits in osmium(IV) tetraaryl complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01706G
_journal_year                    2022
_chemical_formula_moiety         'C36 H44 Os'
_chemical_formula_sum            'C36 H44 Os'
_chemical_formula_weight         666.91
_chemical_name_common            Os(mesityl)4
_chemical_name_systematic        tetrakis(2,4,6-trimethylphenyl)osmium(IV)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2020-08-19 deposited with the CCDC.	2022-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.736(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.265(3)
_cell_length_b                   24.149(5)
_cell_length_c                   14.951(3)
_cell_measurement_reflns_used    9858
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      30.4915
_cell_measurement_theta_min      2.7305
_cell_volume                     5860(2)
_computing_cell_refinement       'APEX3 v2019.1-0 (Bruker AXS, 2019)'
_computing_data_collection
'Bruker Instrument Service v2012.12.0.3 (Bruker AXS, 2012)'
_computing_data_reduction        'SAINT V8.40A (Bruker AXS, 2013)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 958)'
_computing_publication_material  'SHELXTL XL 2018/3 (Bruker AXS, 2018)'
_computing_structure_refinement  'SHELXTL XL 2018/3 (Bruker AXS, 2018)'
_computing_structure_solution    'SHELXTL XT 2014/5 (Bruker AXS, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega- and phi-scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_type           'MoK\a '
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            59569
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.51
_diffrn_source                   'fine-focus tube'
_exptl_absorpt_coefficient_mu    4.374
_exptl_absorpt_correction_T_max  0.80
_exptl_absorpt_correction_T_min  0.11
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS, 2016)'
_exptl_crystal_colour            'dark black'
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2688
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: n-hexane'
_exptl_crystal_size_max          0.489
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.051
_refine_diff_density_max         1.992
_refine_diff_density_min         -1.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         6726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0244P)²+29.8209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                5752
_reflns_number_total             6726
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01706g2.cif
_cod_data_source_block           C36H44Os_CCDC1
_cod_original_cell_volume        5860.(2)
_cod_database_code               7710573
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8225(2) 0.59408(14) 0.5897(2) 0.0174(6) Uani d . . . 1 . .
C C2 0.8637(2) 0.55144(14) 0.5452(2) 0.0191(7) Uani d . . . 1 . .
C C3 0.8497(2) 0.48994(15) 0.5569(3) 0.0269(8) Uani d . . . 1 . .
H H3A 0.792131 0.483395 0.569534 0.04 Uiso calc U . R 1 . .
H H3B 0.885984 0.476152 0.60684 0.04 Uiso calc U . R 1 . .
H H3C 0.861873 0.470473 0.50175 0.04 Uiso calc U . R 1 . .
C C4 0.9217(2) 0.56544(15) 0.4836(2) 0.0187(6) Uani d . . . 1 . .
H H4 0.951018 0.53652 0.456763 0.022 Uiso calc U . R 1 . .
C C5 0.9380(2) 0.61983(15) 0.4603(2) 0.0198(7) Uani d . . . 1 . .
C C6 0.9971(2) 0.63298(17) 0.3890(3) 0.0272(8) Uani d . . . 1 . .
H H6A 0.975292 0.618131 0.331197 0.041 Uiso calc U . R 1 . .
H H6B 1.050794 0.6161 0.405311 0.041 Uiso calc U . R 1 . .
H H6C 1.003497 0.673206 0.384252 0.041 Uiso calc U . R 1 . .
C C7 0.8963(2) 0.66148(15) 0.5025(2) 0.0204(7) Uani d . . . 1 . .
H H7 0.906345 0.699003 0.487611 0.024 Uiso calc U . R 1 . .
C C8 0.8399(2) 0.64963(14) 0.5664(2) 0.0198(7) Uani d . . . 1 . .
C C9 0.7985(2) 0.69860(15) 0.6079(3) 0.0269(8) Uani d . . . 1 . .
H H9A 0.836069 0.730381 0.610058 0.04 Uiso calc U . R 1 . .
H H9B 0.784642 0.689085 0.668793 0.04 Uiso calc U . R 1 . .
H H9C 0.748108 0.708044 0.571618 0.04 Uiso calc U . R 1 . .
C C10 0.7145(2) 0.50300(14) 0.7114(2) 0.0175(6) Uani d . . . 1 . .
C C11 0.6412(2) 0.47180(14) 0.6960(2) 0.0177(6) Uani d . . . 1 . .
C C12 0.5636(2) 0.49282(14) 0.6462(2) 0.0208(7) Uani d . . . 1 . .
H H12A 0.559937 0.477927 0.585095 0.031 Uiso calc U . R 1 . .
H H12B 0.564896 0.533364 0.643847 0.031 Uiso calc U . R 1 . .
H H12C 0.515483 0.480798 0.677373 0.031 Uiso calc U . R 1 . .
C C13 0.6384(2) 0.41713(14) 0.7278(2) 0.0195(7) Uani d . . . 1 . .
H H13 0.58843 0.396985 0.718538 0.023 Uiso calc U . R 1 . .
C C14 0.7053(2) 0.39134(14) 0.7721(2) 0.0220(7) Uani d . . . 1 . .
C C15 0.7010(3) 0.33249(15) 0.8053(3) 0.0286(8) Uani d . . . 1 . .
H H15A 0.646789 0.31684 0.787344 0.043 Uiso calc U . R 1 . .
H H15B 0.709343 0.332017 0.870801 0.043 Uiso calc U . R 1 . .
H H15C 0.743952 0.310381 0.779317 0.043 Uiso calc U . R 1 . .
C C16 0.7773(2) 0.42182(14) 0.7862(2) 0.0202(7) Uani d . . . 1 . .
H H16 0.82409 0.404782 0.815872 0.024 Uiso calc U . R 1 . .
C C17 0.7830(2) 0.47652(14) 0.7582(2) 0.0190(7) Uani d . . . 1 . .
C C18 0.8636(2) 0.50671(16) 0.7787(3) 0.0248(7) Uani d . . . 1 . .
H H18A 0.909115 0.480058 0.780991 0.037 Uiso calc U . R 1 . .
H H18B 0.86227 0.525495 0.836704 0.037 Uiso calc U . R 1 . .
H H18C 0.871556 0.534109 0.731713 0.037 Uiso calc U . R 1 . .
C C19 0.6390(2) 0.62274(14) 0.6079(2) 0.0178(6) Uani d . . . 1 . .
C C20 0.5985(2) 0.67156(14) 0.6340(2) 0.0195(7) Uani d . . . 1 . .
C C21 0.6137(2) 0.70108(15) 0.7231(3) 0.0251(8) Uani d . . . 1 . .
H H21A 0.601945 0.740645 0.71523 0.038 Uiso calc U . R 1 . .
H H21B 0.671371 0.696155 0.744913 0.038 Uiso calc U . R 1 . .
H H21C 0.577646 0.685509 0.766713 0.038 Uiso calc U . R 1 . .
C C22 0.5402(2) 0.69624(14) 0.5735(3) 0.0224(7) Uani d . . . 1 . .
H H22 0.512515 0.728465 0.59218 0.027 Uiso calc U . R 1 . .
C C23 0.5208(2) 0.67618(15) 0.4880(3) 0.0236(7) Uani d . . . 1 . .
C C24 0.4619(3) 0.70649(17) 0.4229(3) 0.0350(10) Uani d . . . 1 . .
H H24A 0.491693 0.7356 0.392659 0.052 Uiso calc U . R 1 . .
H H24B 0.417811 0.723191 0.455411 0.052 Uiso calc U . R 1 . .
H H24C 0.438114 0.680361 0.378202 0.052 Uiso calc U . R 1 . .
C C25 0.5604(2) 0.62794(14) 0.4630(2) 0.0221(7) Uani d . . . 1 . .
H H25 0.547675 0.612819 0.405105 0.027 Uiso calc U . R 1 . .
C C26 0.6183(2) 0.60133(14) 0.5212(2) 0.0185(7) Uani d . . . 1 . .
C C27 0.6591(2) 0.54990(15) 0.4862(2) 0.0217(7) Uani d . . . 1 . .
H H27A 0.618292 0.527969 0.450558 0.032 Uiso calc U . R 1 . .
H H27B 0.681897 0.527705 0.536854 0.032 Uiso calc U . R 1 . .
H H27C 0.703631 0.560802 0.448714 0.032 Uiso calc U . R 1 . .
C C28 0.7559(2) 0.61446(14) 0.8038(2) 0.0180(6) Uani d . . . 1 . .
C C29 0.6905(2) 0.60931(14) 0.8627(2) 0.0177(6) Uani d . . . 1 . .
C C30 0.6098(2) 0.58143(14) 0.8334(2) 0.0192(7) Uani d . . . 1 . .
H H30A 0.597272 0.587873 0.769282 0.029 Uiso calc U . R 1 . .
H H30B 0.565549 0.596841 0.867338 0.029 Uiso calc U . R 1 . .
H H30C 0.614301 0.541541 0.844753 0.029 Uiso calc U . R 1 . .
C C31 0.6990(2) 0.63008(15) 0.9494(2) 0.0206(7) Uani d . . . 1 . .
H H31 0.654477 0.626097 0.986958 0.025 Uiso calc U . R 1 . .
C C32 0.7704(2) 0.65651(15) 0.9834(2) 0.0216(7) Uani d . . . 1 . .
C C33 0.7783(2) 0.68028(18) 1.0769(3) 0.0302(8) Uani d . . . 1 . .
H H33A 0.824954 0.705997 1.082087 0.045 Uiso calc U . R 1 . .
H H33B 0.787438 0.65021 1.12041 0.045 Uiso calc U . R 1 . .
H H33C 0.727562 0.700077 1.088873 0.045 Uiso calc U . R 1 . .
C C34 0.8349(2) 0.65993(15) 0.9268(2) 0.0223(7) Uani d . . . 1 . .
H H34 0.884933 0.676736 0.948978 0.027 Uiso calc U . R 1 . .
C C35 0.8294(2) 0.63980(15) 0.8388(2) 0.0209(7) Uani d . . . 1 . .
C C36 0.9064(2) 0.64629(18) 0.7885(3) 0.0300(9) Uani d . . . 1 . .
H H36A 0.89908 0.627229 0.730647 0.045 Uiso calc U . R 1 . .
H H36B 0.953399 0.630132 0.823705 0.045 Uiso calc U . R 1 . .
H H36C 0.916795 0.685708 0.778443 0.045 Uiso calc U . R 1 . .
Os Os1 0.73302(2) 0.58319(2) 0.67841(2) 0.01409(5) Uani d . . . 1 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C8 . . 117.6(3) ?
C2 C1 Os1 . . 126.0(2) ?
C8 C1 Os1 . . 116.2(2) ?
C4 C2 C1 . . 119.5(3) ?
C4 C2 C3 . . 115.2(3) ?
C1 C2 C3 . . 125.4(3) ?
C2 C3 H3A . . 109.5 ?
C2 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C2 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
C5 C4 C2 . . 122.8(3) ?
C5 C4 H4 . . 118.6 ?
C2 C4 H4 . . 118.6 ?
C7 C5 C4 . . 117.6(3) ?
C7 C5 C6 . . 121.3(3) ?
C4 C5 C6 . . 121.1(3) ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C5 C7 C8 . . 121.7(3) ?
C5 C7 H7 . . 119.2 ?
C8 C7 H7 . . 119.2 ?
C7 C8 C1 . . 120.8(3) ?
C7 C8 C9 . . 116.7(3) ?
C1 C8 C9 . . 122.5(3) ?
C8 C9 H9A . . 109.5 ?
C8 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C8 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C11 C10 C17 . . 117.6(3) ?
C11 C10 Os1 . . 127.3(2) ?
C17 C10 Os1 . . 115.1(2) ?
C13 C11 C10 . . 119.3(3) ?
C13 C11 C12 . . 116.0(3) ?
C10 C11 C12 . . 124.7(3) ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C14 C13 C11 . . 122.9(3) ?
C14 C13 H13 . . 118.5 ?
C11 C13 H13 . . 118.5 ?
C13 C14 C16 . . 117.6(3) ?
C13 C14 C15 . . 122.0(3) ?
C16 C14 C15 . . 120.4(3) ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C14 C16 C17 . . 122.1(3) ?
C14 C16 H16 . . 119.0 ?
C17 C16 H16 . . 119.0 ?
C16 C17 C10 . . 120.5(3) ?
C16 C17 C18 . . 118.1(3) ?
C10 C17 C18 . . 121.4(3) ?
C17 C18 H18A . . 109.5 ?
C17 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C17 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C26 C19 C20 . . 117.9(3) ?
C26 C19 Os1 . . 115.4(2) ?
C20 C19 Os1 . . 126.5(3) ?
C22 C20 C19 . . 119.0(3) ?
C22 C20 C21 . . 115.6(3) ?
C19 C20 C21 . . 125.4(3) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C23 C22 C20 . . 123.5(3) ?
C23 C22 H22 . . 118.3 ?
C20 C22 H22 . . 118.3 ?
C22 C23 C25 . . 117.3(3) ?
C22 C23 C24 . . 121.5(3) ?
C25 C23 C24 . . 121.1(4) ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C23 C25 C26 . . 121.5(3) ?
C23 C25 H25 . . 119.3 ?
C26 C25 H25 . . 119.3 ?
C25 C26 C19 . . 120.9(3) ?
C25 C26 C27 . . 117.1(3) ?
C19 C26 C27 . . 122.1(3) ?
C26 C27 H27A . . 109.5 ?
C26 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C26 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C35 C28 C29 . . 117.1(3) ?
C35 C28 Os1 . . 127.0(2) ?
C29 C28 Os1 . . 115.9(2) ?
C31 C29 C28 . . 120.7(3) ?
C31 C29 C30 . . 117.6(3) ?
C28 C29 C30 . . 121.8(3) ?
C29 C30 H30A . . 109.5 ?
C29 C30 H30B . . 109.5 ?
H30A C30 H30B . . 109.5 ?
C29 C30 H30C . . 109.5 ?
H30A C30 H30C . . 109.5 ?
H30B C30 H30C . . 109.5 ?
C29 C31 C32 . . 122.5(3) ?
C29 C31 H31 . . 118.7 ?
C32 C31 H31 . . 118.7 ?
C31 C32 C34 . . 116.7(3) ?
C31 C32 C33 . . 122.1(3) ?
C34 C32 C33 . . 121.2(3) ?
C32 C33 H33A . . 109.5 ?
C32 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
C32 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
C32 C34 C35 . . 123.1(3) ?
C32 C34 H34 . . 118.4 ?
C35 C34 H34 . . 118.4 ?
C34 C35 C28 . . 119.9(3) ?
C34 C35 C36 . . 115.4(3) ?
C28 C35 C36 . . 124.7(3) ?
C35 C36 H36A . . 109.5 ?
C35 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
C35 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
C10 Os1 C28 . . 98.71(13) ?
C10 Os1 C19 . . 117.12(13) ?
C28 Os1 C19 . . 112.90(14) ?
C10 Os1 C1 . . 113.79(13) ?
C28 Os1 C1 . . 117.04(13) ?
C19 Os1 C1 . . 98.37(13) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.418(5) ?
C1 C8 . 1.419(5) ?
C1 Os1 . 2.049(3) ?
C2 C4 . 1.401(5) ?
C2 C3 . 1.514(5) ?
C3 H3A . 0.98 ?
C3 H3B . 0.98 ?
C3 H3C . 0.98 ?
C4 C5 . 1.389(5) ?
C4 H4 . 0.95 ?
C5 C7 . 1.388(5) ?
C5 C6 . 1.515(5) ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
C7 C8 . 1.396(5) ?
C7 H7 . 0.95 ?
C8 C9 . 1.513(5) ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C10 C11 . 1.417(5) ?
C10 C17 . 1.427(5) ?
C10 Os1 . 2.026(3) ?
C11 C13 . 1.405(5) ?
C11 C12 . 1.511(5) ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C13 C14 . 1.383(5) ?
C13 H13 . 0.95 ?
C14 C16 . 1.387(5) ?
C14 C15 . 1.508(5) ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 C17 . 1.391(5) ?
C16 H16 . 0.95 ?
C17 C18 . 1.514(5) ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C19 C26 . 1.416(5) ?
C19 C20 . 1.418(5) ?
C19 Os1 . 2.037(3) ?
C20 C22 . 1.399(5) ?
C20 C21 . 1.517(5) ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 C23 . 1.385(5) ?
C22 H22 . 0.95 ?
C23 C25 . 1.394(5) ?
C23 C24 . 1.510(5) ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 C26 . 1.397(5) ?
C25 H25 . 0.95 ?
C26 C27 . 1.517(5) ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
C28 C35 . 1.413(5) ?
C28 C29 . 1.430(4) ?
C28 Os1 . 2.033(3) ?
C29 C31 . 1.388(5) ?
C29 C30 . 1.514(5) ?
C30 H30A . 0.98 ?
C30 H30B . 0.98 ?
C30 H30C . 0.98 ?
C31 C32 . 1.391(5) ?
C31 H31 . 0.95 ?
C32 C34 . 1.392(5) ?
C32 C33 . 1.509(5) ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
C34 C35 . 1.400(5) ?
C34 H34 . 0.95 ?
C35 C36 . 1.511(5) ?
C36 H36A . 0.98 ?
C36 H36B . 0.98 ?
C36 H36C . 0.98 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C8 C1 C2 C4 . . . . 2.6(5) ?
Os1 C1 C2 C4 . . . . 177.7(2) ?
C8 C1 C2 C3 . . . . -176.2(3) ?
Os1 C1 C2 C3 . . . . -1.1(5) ?
C1 C2 C4 C5 . . . . -3.4(5) ?
C3 C2 C4 C5 . . . . 175.5(3) ?
C2 C4 C5 C7 . . . . 2.0(5) ?
C2 C4 C5 C6 . . . . -176.0(3) ?
C4 C5 C7 C8 . . . . 0.1(5) ?
C6 C5 C7 C8 . . . . 178.1(3) ?
C5 C7 C8 C1 . . . . -0.7(5) ?
C5 C7 C8 C9 . . . . 179.8(3) ?
C2 C1 C8 C7 . . . . -0.6(5) ?
Os1 C1 C8 C7 . . . . -176.2(3) ?
C2 C1 C8 C9 . . . . 178.8(3) ?
Os1 C1 C8 C9 . . . . 3.2(4) ?
C17 C10 C11 C13 . . . . 0.8(5) ?
Os1 C10 C11 C13 . . . . -176.7(2) ?
C17 C10 C11 C12 . . . . -178.8(3) ?
Os1 C10 C11 C12 . . . . 3.7(5) ?
C10 C11 C13 C14 . . . . -1.8(5) ?
C12 C11 C13 C14 . . . . 177.9(3) ?
C11 C13 C14 C16 . . . . 1.0(5) ?
C11 C13 C14 C15 . . . . -179.7(3) ?
C13 C14 C16 C17 . . . . 0.7(5) ?
C15 C14 C16 C17 . . . . -178.6(3) ?
C14 C16 C17 C10 . . . . -1.6(5) ?
C14 C16 C17 C18 . . . . 178.5(3) ?
C11 C10 C17 C16 . . . . 0.8(5) ?
Os1 C10 C17 C16 . . . . 178.6(3) ?
C11 C10 C17 C18 . . . . -179.3(3) ?
Os1 C10 C17 C18 . . . . -1.5(4) ?
C26 C19 C20 C22 . . . . 0.0(5) ?
Os1 C19 C20 C22 . . . . 174.0(2) ?
C26 C19 C20 C21 . . . . -178.7(3) ?
Os1 C19 C20 C21 . . . . -4.8(5) ?
C19 C20 C22 C23 . . . . -1.4(5) ?
C21 C20 C22 C23 . . . . 177.5(3) ?
C20 C22 C23 C25 . . . . 1.9(5) ?
C20 C22 C23 C24 . . . . -175.6(3) ?
C22 C23 C25 C26 . . . . -1.1(5) ?
C24 C23 C25 C26 . . . . 176.4(3) ?
C23 C25 C26 C19 . . . . -0.2(5) ?
C23 C25 C26 C27 . . . . -178.5(3) ?
C20 C19 C26 C25 . . . . 0.7(5) ?
Os1 C19 C26 C25 . . . . -173.9(3) ?
C20 C19 C26 C27 . . . . 179.0(3) ?
Os1 C19 C26 C27 . . . . 4.4(4) ?
C35 C28 C29 C31 . . . . 1.9(5) ?
Os1 C28 C29 C31 . . . . -178.9(3) ?
C35 C28 C29 C30 . . . . -178.2(3) ?
Os1 C28 C29 C30 . . . . 0.9(4) ?
C28 C29 C31 C32 . . . . -0.1(5) ?
C30 C29 C31 C32 . . . . -179.9(3) ?
C29 C31 C32 C34 . . . . -1.8(5) ?
C29 C31 C32 C33 . . . . 178.3(4) ?
C31 C32 C34 C35 . . . . 1.9(5) ?
C33 C32 C34 C35 . . . . -178.2(4) ?
C32 C34 C35 C28 . . . . -0.1(6) ?
C32 C34 C35 C36 . . . . -178.8(4) ?
C29 C28 C35 C34 . . . . -1.8(5) ?
Os1 C28 C35 C34 . . . . 179.2(3) ?
C29 C28 C35 C36 . . . . 176.8(3) ?
Os1 C28 C35 C36 . . . . -2.3(5) ?
