# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_3a
_database_code_depnum_ccdc_archive 'CCDC 2314884'
loop_
_audit_author_name
_audit_author_address
'Complex Threea'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-07-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C81 H64 Cl N Os P4, 2(C24 H20 B)'
_chemical_formula_sum            'C129 H104 B2 Cl N Os P4'
_chemical_formula_weight         2039.28
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.3078(18)
_cell_length_b                   17.5817(18)
_cell_length_c                   18.5767(19)
_cell_angle_alpha                79.878(4)
_cell_angle_beta                 73.879(4)
_cell_angle_gamma                87.864(4)
_cell_volume                     5345.7(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9488
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      72.20
_cell_measurement_theta_min      2.66
_shelx_estimated_absorpt_T_max   0.725
_shelx_estimated_absorpt_T_min   0.725
_exptl_absorpt_coefficient_mu    3.430
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6379
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1643 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.8465.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            86820
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.693
_diffrn_reflns_theta_min         2.658
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18833
_reflns_number_total             20331
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.913
_refine_diff_density_min         -1.508
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1243
_refine_ls_number_reflns         20331
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0366
_refine_ls_restrained_S_all      1.088
_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)+(0.0710P)²+4.0890P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1113
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), 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),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C65(H65), C66(H66), C67(H67), C68(H68),
 C69(H69), C71(H71), C72(H72), C73(H73), C74(H74), C75(H75), C77(H77), C78(H78),
  C79(H79), C80(H80), C81(H81), C83(H83), C84(H84), C85(H85), C86(H86),
 C87(H87), C89(H89), C90(H90), C91(H91), C92(H92), C93(H93), C95(H95), C96(H96),
  C97(H97), C98(H98), C99(H99), C101(H101), C102(H102), C103(H103), C104(H104),
 C105(H105), C107(H107), C108(H108), C109(H109), C110(H110), C111(H111),
 C113(H113), C114(H114), C115(H115), C116(H116), C117(H117), C119(H119),
 C120(H120), C121(H121), C122(H122), C123(H123), C125(H125), C126(H126),
 C127(H127), C128(H128), C129(H129)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.82947(2) 0.77308(2) 0.62145(2) 0.01206(5) Uani 1 1 d . . . . .
Cl1 Cl 0.87737(4) 0.83241(4) 0.49259(4) 0.01799(14) Uani 1 1 d . . . . .
P1 P 0.91190(4) 0.66660(4) 0.58138(4) 0.01471(14) Uani 1 1 d . . . . .
P2 P 0.75500(4) 0.88905(4) 0.64244(4) 0.01397(14) Uani 1 1 d . . . . .
P3 P 0.98115(4) 0.80443(4) 0.78759(4) 0.01363(14) Uani 1 1 d . . . . .
P4 P 0.60014(4) 0.62376(5) 0.70596(4) 0.01575(15) Uani 1 1 d . . . . .
N1 N 0.79293(15) 0.72202(14) 0.73632(13) 0.0139(5) Uani 1 1 d . . . . .
C1 C 0.91380(17) 0.80389(17) 0.66823(16) 0.0153(6) Uani 1 1 d . . . . .
H1 H 0.956829 0.837283 0.637642 0.018 Uiso 1 1 calc R U . . .
C2 C 0.91005(17) 0.77769(17) 0.74265(16) 0.0138(5) Uani 1 1 d . . . . .
C3 C 0.83882(17) 0.73017(17) 0.78353(16) 0.0143(5) Uani 1 1 d . . . . .
C4 C 0.81387(19) 0.69765(19) 0.86028(17) 0.0184(6) Uani 1 1 d . . . . .
H4 H 0.846161 0.702844 0.893014 0.022 Uiso 1 1 calc R U . . .
C5 C 0.74087(19) 0.65737(19) 0.88845(17) 0.0197(6) Uani 1 1 d . . . . .
H5 H 0.722569 0.635979 0.940991 0.024 Uiso 1 1 calc R U . . .
C6 C 0.69489(18) 0.64838(18) 0.84021(17) 0.0181(6) Uani 1 1 d . . . . .
H6 H 0.645651 0.619991 0.859100 0.022 Uiso 1 1 calc R U . . .
C7 C 0.72169(17) 0.68145(17) 0.76372(16) 0.0148(5) Uani 1 1 d . . . . .
C8 C 0.68456(17) 0.67989(18) 0.70210(16) 0.0160(6) Uani 1 1 d . . . . .
C9 C 0.73110(19) 0.71864(18) 0.63553(17) 0.0177(6) Uani 1 1 d . . . . .
C10 C 0.81795(18) 0.97029(18) 0.64230(18) 0.0184(6) Uani 1 1 d . . . . .
C11 C 0.8810(2) 0.9937(2) 0.5768(2) 0.0258(7) Uani 1 1 d . . . . .
H11 H 0.889629 0.967402 0.534772 0.031 Uiso 1 1 calc R U . . .
C12 C 0.9307(2) 1.0547(2) 0.5729(2) 0.0287(7) Uani 1 1 d . . . . .
H12 H 0.972605 1.070684 0.527778 0.034 Uiso 1 1 calc R U . . .
C13 C 0.9203(2) 1.0932(2) 0.6341(2) 0.0281(7) Uani 1 1 d . . . . .
H13 H 0.955409 1.134483 0.631474 0.034 Uiso 1 1 calc R U . . .
C14 C 0.8582(2) 1.0704(2) 0.6990(2) 0.0278(7) Uani 1 1 d . . . . .
H14 H 0.851245 1.095726 0.741493 0.033 Uiso 1 1 calc R U . . .
C15 C 0.8058(2) 1.01085(19) 0.70297(18) 0.0231(7) Uani 1 1 d . . . . .
H15 H 0.761623 0.997652 0.746830 0.028 Uiso 1 1 calc R U . . .
C16 C 0.70198(18) 0.92808(19) 0.57144(17) 0.0181(6) Uani 1 1 d . . . . .
C17 C 0.6783(2) 0.8804(2) 0.52868(19) 0.0242(7) Uani 1 1 d . . . . .
H17 H 0.692833 0.827490 0.533606 0.029 Uiso 1 1 calc R U . . .
C18 C 0.6332(2) 0.9102(2) 0.4786(2) 0.0314(8) Uani 1 1 d . . . . .
H18 H 0.617506 0.877825 0.449101 0.038 Uiso 1 1 calc R U . . .
C19 C 0.6112(2) 0.9879(3) 0.4723(2) 0.0338(8) Uani 1 1 d . . . . .
H19 H 0.579942 1.008425 0.438842 0.041 Uiso 1 1 calc R U . . .
C20 C 0.6351(2) 1.0344(2) 0.5145(2) 0.0295(8) Uani 1 1 d . . . . .
H20 H 0.620367 1.087216 0.509660 0.035 Uiso 1 1 calc R U . . .
C21 C 0.6803(2) 1.0057(2) 0.56408(19) 0.0241(7) Uani 1 1 d . . . . .
H21 H 0.696334 1.038610 0.592866 0.029 Uiso 1 1 calc R U . . .
C22 C 0.67477(18) 0.88192(18) 0.73179(17) 0.0173(6) Uani 1 1 d . . . . .
C23 C 0.59477(19) 0.9008(2) 0.73344(18) 0.0224(6) Uani 1 1 d . . . . .
H23 H 0.580388 0.914750 0.687125 0.027 Uiso 1 1 calc R U . . .
C24 C 0.5361(2) 0.8992(2) 0.8030(2) 0.0258(7) Uani 1 1 d . . . . .
H24 H 0.482198 0.912350 0.803715 0.031 Uiso 1 1 calc R U . . .
C25 C 0.5568(2) 0.8785(2) 0.87086(19) 0.0262(7) Uani 1 1 d . . . . .
H25 H 0.516974 0.877537 0.918005 0.031 Uiso 1 1 calc R U . . .
C26 C 0.6355(2) 0.8592(2) 0.86983(18) 0.0247(7) Uani 1 1 d . . . . .
H26 H 0.649589 0.844873 0.916274 0.030 Uiso 1 1 calc R U . . .
C27 C 0.69395(19) 0.86080(18) 0.80071(17) 0.0197(6) Uani 1 1 d . . . . .
H27 H 0.747672 0.847316 0.800486 0.024 Uiso 1 1 calc R U . . .
C28 C 1.01113(19) 0.69482(19) 0.51664(18) 0.0204(6) Uani 1 1 d . . . . .
C29 C 1.0662(2) 0.7297(2) 0.5426(2) 0.0310(8) Uani 1 1 d . . . . .
H29 H 1.051569 0.739349 0.593350 0.037 Uiso 1 1 calc R U . . .
C30 C 1.1431(2) 0.7508(2) 0.4952(3) 0.0365(9) Uani 1 1 d . . . . .
H30 H 1.180583 0.773629 0.514108 0.044 Uiso 1 1 calc R U . . .
C31 C 1.1647(2) 0.7383(2) 0.4205(2) 0.0325(8) Uani 1 1 d . . . . .
H31 H 1.216981 0.752040 0.388122 0.039 Uiso 1 1 calc R U . . .
C32 C 1.1090(2) 0.7057(3) 0.3939(2) 0.0336(8) Uani 1 1 d . . . . .
H32 H 1.122652 0.698613 0.342312 0.040 Uiso 1 1 calc R U . . .
C33 C 1.0330(2) 0.6831(2) 0.44159(19) 0.0276(7) Uani 1 1 d . . . . .
H33 H 0.995876 0.659621 0.422709 0.033 Uiso 1 1 calc R U . . .
C34 C 0.93340(19) 0.59307(18) 0.65598(17) 0.0185(6) Uani 1 1 d . . . . .
C35 C 0.8694(2) 0.56004(19) 0.71521(18) 0.0244(7) Uani 1 1 d . . . . .
H35 H 0.816870 0.579650 0.718678 0.029 Uiso 1 1 calc R U . . .
C36 C 0.8807(2) 0.4988(2) 0.7696(2) 0.0301(8) Uani 1 1 d . . . . .
H36 H 0.836095 0.477176 0.809886 0.036 Uiso 1 1 calc R U . . .
C37 C 0.9569(3) 0.4694(2) 0.7650(2) 0.0326(8) Uani 1 1 d . . . . .
H37 H 0.964764 0.427689 0.802295 0.039 Uiso 1 1 calc R U . . .
C38 C 1.0214(2) 0.5010(2) 0.7059(2) 0.0322(8) Uani 1 1 d . . . . .
H38 H 1.073685 0.480545 0.702292 0.039 Uiso 1 1 calc R U . . .
C39 C 1.0103(2) 0.5628(2) 0.65161(19) 0.0255(7) Uani 1 1 d . . . . .
H39 H 1.055011 0.584418 0.611431 0.031 Uiso 1 1 calc R U . . .
C40 C 0.86860(19) 0.60840(19) 0.52932(17) 0.0190(6) Uani 1 1 d . . . . .
C41 C 0.8293(2) 0.6454(2) 0.47642(19) 0.0253(7) Uani 1 1 d . . . . .
H41 H 0.823612 0.699910 0.468947 0.030 Uiso 1 1 calc R U . . .
C42 C 0.7989(2) 0.6015(2) 0.4351(2) 0.0319(8) Uani 1 1 d . . . . .
H42 H 0.774702 0.626686 0.397307 0.038 Uiso 1 1 calc R U . . .
C43 C 0.8032(2) 0.5221(2) 0.4479(2) 0.0306(8) Uani 1 1 d . . . . .
H43 H 0.779861 0.492700 0.420850 0.037 Uiso 1 1 calc R U . . .
C44 C 0.8414(2) 0.4853(2) 0.5002(2) 0.0290(7) Uani 1 1 d . . . . .
H44 H 0.844528 0.430555 0.509143 0.035 Uiso 1 1 calc R U . . .
C45 C 0.8757(2) 0.5287(2) 0.54002(19) 0.0243(7) Uani 1 1 d . . . . .
H45 H 0.903846 0.503478 0.574504 0.029 Uiso 1 1 calc R U . . .
C46 C 0.51060(17) 0.64701(18) 0.77389(16) 0.0159(6) Uani 1 1 d . . . . .
C47 C 0.51137(18) 0.70322(18) 0.81818(17) 0.0181(6) Uani 1 1 d . . . . .
H47 H 0.559801 0.730037 0.812974 0.022 Uiso 1 1 calc R U . . .
C48 C 0.44027(19) 0.71952(19) 0.87011(18) 0.0207(6) Uani 1 1 d . . . . .
H48 H 0.440276 0.757770 0.900432 0.025 Uiso 1 1 calc R U . . .
C49 C 0.36923(19) 0.6804(2) 0.87804(18) 0.0217(6) Uani 1 1 d . . . . .
H49 H 0.321333 0.691026 0.914504 0.026 Uiso 1 1 calc R U . . .
C50 C 0.36828(19) 0.6259(2) 0.8328(2) 0.0253(7) Uani 1 1 d . . . . .
H50 H 0.319508 0.599841 0.837580 0.030 Uiso 1 1 calc R U . . .
C51 C 0.43872(19) 0.6091(2) 0.78033(19) 0.0222(6) Uani 1 1 d . . . . .
H51 H 0.437985 0.572060 0.748967 0.027 Uiso 1 1 calc R U . . .
C52 C 0.62251(19) 0.5226(2) 0.72538(18) 0.0214(6) Uani 1 1 d . . . . .
C53 C 0.5672(2) 0.4689(2) 0.77568(18) 0.0243(7) Uani 1 1 d . . . . .
H53 H 0.516932 0.485418 0.804407 0.029 Uiso 1 1 calc R U . . .
C54 C 0.5862(2) 0.3909(2) 0.7834(2) 0.0313(8) Uani 1 1 d . . . . .
H54 H 0.548477 0.353863 0.816866 0.038 Uiso 1 1 calc R U . . .
C55 C 0.6593(3) 0.3671(2) 0.7428(2) 0.0354(8) Uani 1 1 d . . . . .
H55 H 0.671750 0.313710 0.748345 0.043 Uiso 1 1 calc R U . . .
C56 C 0.7149(3) 0.4202(3) 0.6940(3) 0.0449(11) Uani 1 1 d . . . . .
H56 H 0.765488 0.403358 0.666453 0.054 Uiso 1 1 calc R U . . .
C57 C 0.6968(2) 0.4979(3) 0.6853(3) 0.0396(10) Uani 1 1 d . . . . .
H57 H 0.735155 0.534507 0.651955 0.048 Uiso 1 1 calc R U . . .
C58 C 0.5825(2) 0.6454(2) 0.61374(17) 0.0258(7) Uani 1 1 d . . . . .
C59 C 0.5429(2) 0.7119(3) 0.5961(2) 0.0384(9) Uani 1 1 d . . . . .
H59 H 0.526904 0.746319 0.631596 0.046 Uiso 1 1 calc R U . . .
C60 C 0.5260(3) 0.7290(4) 0.5255(3) 0.0552(14) Uani 1 1 d . . . . .
H60 H 0.498049 0.774639 0.512522 0.066 Uiso 1 1 calc R U . . .
C61 C 0.5512(3) 0.6774(4) 0.4748(2) 0.0559(15) Uani 1 1 d . . . . .
H61 H 0.540063 0.688508 0.426753 0.067 Uiso 1 1 calc R U . . .
C62 C 0.5911(3) 0.6118(4) 0.4919(2) 0.0516(14) Uani 1 1 d . . . . .
H62 H 0.607948 0.578029 0.455897 0.062 Uiso 1 1 calc R U . . .
C63 C 0.6072(3) 0.5942(3) 0.5617(2) 0.0372(9) Uani 1 1 d . . . . .
H63 H 0.634629 0.548176 0.574394 0.045 Uiso 1 1 calc R U . . .
C64 C 1.03985(18) 0.72456(18) 0.81544(16) 0.0164(6) Uani 1 1 d . . . . .
C65 C 1.02080(18) 0.64825(18) 0.81474(17) 0.0185(6) Uani 1 1 d . . . . .
H65 H 0.975689 0.636977 0.798540 0.022 Uiso 1 1 calc R U . . .
C66 C 1.0686(2) 0.5889(2) 0.83801(19) 0.0235(7) Uani 1 1 d . . . . .
H66 H 1.055229 0.536763 0.838987 0.028 Uiso 1 1 calc R U . . .
C67 C 1.1359(2) 0.6057(2) 0.85987(18) 0.0233(7) Uani 1 1 d . . . . .
H67 H 1.168399 0.564801 0.875313 0.028 Uiso 1 1 calc R U . . .
C68 C 1.15574(19) 0.6813(2) 0.85928(19) 0.0233(7) Uani 1 1 d . . . . .
H68 H 1.202118 0.692383 0.873644 0.028 Uiso 1 1 calc R U . . .
C69 C 1.10754(19) 0.7411(2) 0.83757(18) 0.0209(6) Uani 1 1 d . . . . .
H69 H 1.120542 0.793063 0.837755 0.025 Uiso 1 1 calc R U . . .
C70 C 0.92785(18) 0.84543(18) 0.86905(17) 0.0175(6) Uani 1 1 d . . . . .
C71 C 0.87113(19) 0.90266(19) 0.85839(19) 0.0220(6) Uani 1 1 d . . . . .
H71 H 0.861025 0.916446 0.810074 0.026 Uiso 1 1 calc R U . . .
C72 C 0.8297(2) 0.9393(2) 0.9184(2) 0.0291(7) Uani 1 1 d . . . . .
H72 H 0.791553 0.978204 0.911600 0.035 Uiso 1 1 calc R U . . .
C73 C 0.8458(2) 0.9170(2) 0.9891(2) 0.0319(8) Uani 1 1 d . . . . .
H73 H 0.818651 0.941926 1.030309 0.038 Uiso 1 1 calc R U . . .
C74 C 0.9002(2) 0.8596(2) 1.00029(19) 0.0309(8) Uani 1 1 d . . . . .
H74 H 0.909468 0.845008 1.048906 0.037 Uiso 1 1 calc R U . . .
C75 C 0.9415(2) 0.8233(2) 0.94026(18) 0.0233(7) Uani 1 1 d . . . . .
H75 H 0.978713 0.783639 0.947756 0.028 Uiso 1 1 calc R U . . .
C76 C 1.05026(18) 0.87493(19) 0.72052(17) 0.0178(6) Uani 1 1 d . . . . .
C77 C 1.0384(2) 0.9534(2) 0.71928(19) 0.0234(7) Uani 1 1 d . . . . .
H77 H 0.993152 0.971393 0.754012 0.028 Uiso 1 1 calc R U . . .
C78 C 1.0935(2) 1.0060(2) 0.6666(2) 0.0261(7) Uani 1 1 d . . . . .
H78 H 1.085803 1.059926 0.665737 0.031 Uiso 1 1 calc R U . . .
C79 C 1.1596(2) 0.9798(2) 0.61558(18) 0.0250(7) Uani 1 1 d . . . . .
H79 H 1.196658 1.015925 0.579725 0.030 Uiso 1 1 calc R U . . .
C80 C 1.1715(2) 0.9016(2) 0.6167(2) 0.0278(7) Uani 1 1 d . . . . .
H80 H 1.216571 0.883892 0.581556 0.033 Uiso 1 1 calc R U . . .
C81 C 1.1173(2) 0.8484(2) 0.66973(19) 0.0237(7) Uani 1 1 d . . . . .
H81 H 1.125791 0.794492 0.671257 0.028 Uiso 1 1 calc R U . . .
C82 C 0.7125(2) 0.7295(2) 0.21287(19) 0.0244(7) Uani 1 1 d . . . . .
C83 C 0.7351(3) 0.8022(2) 0.1692(2) 0.0363(9) Uani 1 1 d . . . . .
H83 H 0.745046 0.808056 0.115624 0.044 Uiso 1 1 calc R U . . .
C84 C 0.7437(3) 0.8673(3) 0.2008(3) 0.0460(11) Uani 1 1 d . . . . .
H84 H 0.757422 0.916105 0.168910 0.055 Uiso 1 1 calc R U . . .
C85 C 0.7322(3) 0.8602(3) 0.2782(3) 0.0421(10) Uani 1 1 d . . . . .
H85 H 0.738832 0.903773 0.299871 0.051 Uiso 1 1 calc R U . . .
C86 C 0.7108(2) 0.7889(2) 0.3239(2) 0.0332(8) Uani 1 1 d . . . . .
H86 H 0.703389 0.783000 0.377232 0.040 Uiso 1 1 calc R U . . .
C87 C 0.7003(2) 0.7255(2) 0.2914(2) 0.0258(7) Uani 1 1 d . . . . .
H87 H 0.684114 0.677457 0.323934 0.031 Uiso 1 1 calc R U . . .
C88 C 0.6815(2) 0.5777(2) 0.24095(18) 0.0235(7) Uani 1 1 d . . . . .
C89 C 0.7315(2) 0.5179(2) 0.25751(19) 0.0272(7) Uani 1 1 d . . . . .
H89 H 0.785690 0.518765 0.227159 0.033 Uiso 1 1 calc R U . . .
C90 C 0.7046(3) 0.4556(2) 0.3181(2) 0.0350(9) Uani 1 1 d . . . . .
H90 H 0.739903 0.414620 0.327082 0.042 Uiso 1 1 calc R U . . .
C91 C 0.6266(3) 0.4546(2) 0.3641(2) 0.0352(9) Uani 1 1 d . . . . .
H91 H 0.608432 0.413517 0.405646 0.042 Uiso 1 1 calc R U . . .
C92 C 0.5746(3) 0.5139(2) 0.3496(2) 0.0346(9) Uani 1 1 d . . . . .
H92 H 0.521021 0.513504 0.381195 0.042 Uiso 1 1 calc R U . . .
C93 C 0.6013(2) 0.5738(2) 0.28870(19) 0.0273(7) Uani 1 1 d . . . . .
H93 H 0.564894 0.613313 0.278673 0.033 Uiso 1 1 calc R U . . .
C94 C 0.6458(2) 0.6605(2) 0.12099(18) 0.0264(7) Uani 1 1 d . . . . .
C95 C 0.6084(2) 0.7293(3) 0.0973(2) 0.0391(10) Uani 1 1 d . . . . .
H95 H 0.619612 0.775420 0.112756 0.047 Uiso 1 1 calc R U . . .
C96 C 0.5557(3) 0.7324(3) 0.0522(3) 0.0515(14) Uani 1 1 d . . . . .
H96 H 0.531187 0.779836 0.038266 0.062 Uiso 1 1 calc R U . . .
C97 C 0.5391(2) 0.6664(4) 0.0278(2) 0.0537(15) Uani 1 1 d . . . . .
H97 H 0.504281 0.668392 -0.004096 0.064 Uiso 1 1 calc R U . . .
C98 C 0.5737(2) 0.5978(3) 0.0503(2) 0.0431(11) Uani 1 1 d . . . . .
H98 H 0.562326 0.552206 0.033981 0.052 Uiso 1 1 calc R U . . .
C99 C 0.6253(2) 0.5941(2) 0.09679(18) 0.0293(8) Uani 1 1 d . . . . .
H99 H 0.647123 0.545743 0.112550 0.035 Uiso 1 1 calc R U . . .
C100 C 0.8024(2) 0.64128(19) 0.12042(17) 0.0211(6) Uani 1 1 d . . . . .
C101 C 0.82048(19) 0.6022(2) 0.05811(17) 0.0213(6) Uani 1 1 d . . . . .
H101 H 0.777287 0.582844 0.044027 0.026 Uiso 1 1 calc R U . . .
C102 C 0.8990(2) 0.5906(2) 0.01589(18) 0.0238(7) Uani 1 1 d . . . . .
H102 H 0.908207 0.563237 -0.025454 0.029 Uiso 1 1 calc R U . . .
C103 C 0.9638(2) 0.6188(2) 0.03410(19) 0.0233(6) Uani 1 1 d . . . . .
H103 H 1.017351 0.611577 0.005277 0.028 Uiso 1 1 calc R U . . .
C104 C 0.9485(2) 0.6577(2) 0.0953(2) 0.0276(7) Uani 1 1 d . . . . .
H104 H 0.992090 0.677545 0.108529 0.033 Uiso 1 1 calc R U . . .
C105 C 0.8701(2) 0.6680(2) 0.13726(19) 0.0259(7) Uani 1 1 d . . . . .
H105 H 0.861701 0.694237 0.179303 0.031 Uiso 1 1 calc R U . . .
B1 B 0.7099(2) 0.6533(2) 0.1730(2) 0.0221(7) Uani 1 1 d . . . . .
C106 C 0.7694(2) 1.2800(2) 0.94047(18) 0.0219(6) Uani 1 1 d . . . . .
C107 C 0.6994(2) 1.3142(2) 0.92664(19) 0.0245(7) Uani 1 1 d . . . . .
H107 H 0.663997 1.283943 0.911875 0.029 Uiso 1 1 calc R U . . .
C108 C 0.6794(2) 1.3905(2) 0.93355(19) 0.0262(7) Uani 1 1 d . . . . .
H108 H 0.631283 1.411279 0.923424 0.031 Uiso 1 1 calc R U . . .
C109 C 0.7297(2) 1.4364(2) 0.95521(18) 0.0256(7) Uani 1 1 d . . . . .
H109 H 0.716413 1.488546 0.960121 0.031 Uiso 1 1 calc R U . . .
C110 C 0.7997(2) 1.4046(2) 0.96956(18) 0.0231(7) Uani 1 1 d . . . . .
H110 H 0.834991 1.435122 0.984189 0.028 Uiso 1 1 calc R U . . .
C111 C 0.8183(2) 1.3284(2) 0.96261(18) 0.0227(6) Uani 1 1 d . . . . .
H111 H 0.866303 1.307939 0.973262 0.027 Uiso 1 1 calc R U . . .
C112 C 0.8045(2) 1.1480(2) 1.0174(2) 0.0266(7) Uani 1 1 d . . . . .
C113 C 0.8728(2) 1.1150(2) 1.0354(2) 0.0294(7) Uani 1 1 d . . . . .
H113 H 0.922177 1.119044 0.996442 0.035 Uiso 1 1 calc R U . . .
C114 C 0.8721(3) 1.0761(2) 1.1084(2) 0.0372(9) Uani 1 1 d . . . . .
H114 H 0.919850 1.053054 1.117486 0.045 Uiso 1 1 calc R U . . .
C115 C 0.8022(3) 1.0713(2) 1.1669(2) 0.0425(10) Uani 1 1 d . . . . .
H115 H 0.801126 1.044850 1.216361 0.051 Uiso 1 1 calc R U . . .
C116 C 0.7334(3) 1.1058(3) 1.1525(3) 0.0461(11) Uani 1 1 d . . . . .
H116 H 0.684930 1.103695 1.192353 0.055 Uiso 1 1 calc R U . . .
C117 C 0.7356(3) 1.1435(3) 1.0794(2) 0.0368(9) Uani 1 1 d . . . . .
H117 H 0.687933 1.167445 1.071142 0.044 Uiso 1 1 calc R U . . .
C118 C 0.7312(2) 1.1463(2) 0.9054(2) 0.0271(7) Uani 1 1 d . . . . .
C119 C 0.7233(2) 1.1696(2) 0.8316(2) 0.0338(8) Uani 1 1 d . . . . .
H119 H 0.757383 1.210038 0.798914 0.041 Uiso 1 1 calc R U . . .
C120 C 0.6680(3) 1.1366(3) 0.8039(3) 0.0421(10) Uani 1 1 d . . . . .
H120 H 0.665408 1.154019 0.753220 0.050 Uiso 1 1 calc R U . . .
C121 C 0.6169(3) 1.0783(3) 0.8506(3) 0.0484(12) Uani 1 1 d . . . . .
H121 H 0.578389 1.055699 0.832547 0.058 Uiso 1 1 calc R U . . .
C122 C 0.6224(3) 1.0535(3) 0.9229(3) 0.0458(11) Uani 1 1 d . . . . .
H122 H 0.587549 1.013426 0.955101 0.055 Uiso 1 1 calc R U . . .
C123 C 0.6790(2) 1.0865(2) 0.9505(3) 0.0346(8) Uani 1 1 d . . . . .
H123 H 0.681897 1.067795 1.000892 0.041 Uiso 1 1 calc R U . . .
C124 C 0.8851(2) 1.1930(2) 0.86567(19) 0.0242(7) Uani 1 1 d . . . . .
C125 C 0.9336(2) 1.1280(2) 0.8578(2) 0.0303(8) Uani 1 1 d . . . . .
H125 H 0.914457 1.080328 0.889982 0.036 Uiso 1 1 calc R U . . .
C126 C 1.0091(2) 1.1299(2) 0.8047(2) 0.0358(9) Uani 1 1 d . . . . .
H126 H 1.041411 1.085046 0.803374 0.043 Uiso 1 1 calc R U . . .
C127 C 1.0369(2) 1.1978(3) 0.7537(2) 0.0358(9) Uani 1 1 d . . . . .
H127 H 1.088063 1.199814 0.717451 0.043 Uiso 1 1 calc R U . . .
C128 C 0.9884(2) 1.2619(2) 0.7571(2) 0.0313(8) Uani 1 1 d . . . . .
H128 H 1.005564 1.308065 0.721551 0.038 Uiso 1 1 calc R U . . .
C129 C 0.9140(2) 1.2597(2) 0.8124(2) 0.0284(7) Uani 1 1 d . . . . .
H129 H 0.882219 1.304944 0.813768 0.034 Uiso 1 1 calc R U . . .
B2 B 0.7982(2) 1.1910(2) 0.9326(2) 0.0237(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.3644(7) . ?
Os1 P1 2.4072(8) . ?
Os1 P2 2.4032(8) . ?
Os1 N1 2.093(2) . ?
Os1 C1 2.027(3) . ?
Os1 C9 1.916(3) . ?
P1 C28 1.830(3) . ?
P1 C34 1.831(3) . ?
P1 C40 1.831(3) . ?
P2 C10 1.828(3) . ?
P2 C16 1.833(3) . ?
P2 C22 1.833(3) . ?
P3 C2 1.784(3) . ?
P3 C64 1.789(3) . ?
P3 C70 1.794(3) . ?
P3 C76 1.805(3) . ?
P4 C8 1.771(3) . ?
P4 C46 1.791(3) . ?
P4 C52 1.800(4) . ?
P4 C58 1.796(3) . ?
N1 C3 1.364(4) . ?
N1 C7 1.370(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.362(4) . ?
C2 C3 1.459(4) . ?
C3 C4 1.392(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.393(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.391(4) . ?
C7 C8 1.465(4) . ?
C8 C9 1.354(4) . ?
C10 C11 1.401(5) . ?
C10 C15 1.401(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.380(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.389(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.394(5) . ?
C16 C21 1.395(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.396(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.398(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.373(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.386(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.405(5) . ?
C22 C27 1.395(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.400(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.389(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.388(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(5) . ?
C28 C33 1.390(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.398(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.381(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.393(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(5) . ?
C34 C39 1.401(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.388(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.384(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.393(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.401(5) . ?
C40 C45 1.386(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.388(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.378(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.380(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.398(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.395(4) . ?
C46 C51 1.399(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.393(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.391(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.385(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.392(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.394(5) . ?
C52 C57 1.392(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.391(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.373(6) . ?
C55 H55 0.9500 . ?
C55 C56 1.379(6) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.370(6) . ?
C58 C63 1.404(6) . ?
C59 H59 0.9500 . ?
C59 C60 1.402(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.395(9) . ?
C61 H61 0.9500 . ?
C61 C62 1.357(9) . ?
C62 H62 0.9500 . ?
C62 C63 1.382(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.397(4) . ?
C64 C69 1.400(4) . ?
C65 H65 0.9500 . ?
C65 C66 1.391(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.392(5) . ?
C67 H67 0.9500 . ?
C67 C68 1.384(5) . ?
C68 H68 0.9500 . ?
C68 C69 1.391(5) . ?
C69 H69 0.9500 . ?
C70 C71 1.407(5) . ?
C70 C75 1.394(5) . ?
C71 H71 0.9500 . ?
C71 C72 1.394(5) . ?
C72 H72 0.9500 . ?
C72 C73 1.404(6) . ?
C73 H73 0.9500 . ?
C73 C74 1.383(6) . ?
C74 H74 0.9500 . ?
C74 C75 1.391(5) . ?
C75 H75 0.9500 . ?
C76 C77 1.385(5) . ?
C76 C81 1.400(5) . ?
C77 H77 0.9500 . ?
C77 C78 1.397(5) . ?
C78 H78 0.9500 . ?
C78 C79 1.389(5) . ?
C79 H79 0.9500 . ?
C79 C80 1.381(5) . ?
C80 H80 0.9500 . ?
C80 C81 1.398(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.393(5) . ?
C82 C87 1.404(5) . ?
C82 B1 1.647(5) . ?
C83 H83 0.9500 . ?
C83 C84 1.405(6) . ?
C84 H84 0.9500 . ?
C84 C85 1.379(7) . ?
C85 H85 0.9500 . ?
C85 C86 1.385(6) . ?
C86 H86 0.9500 . ?
C86 C87 1.397(5) . ?
C87 H87 0.9500 . ?
C88 C89 1.385(6) . ?
C88 C93 1.420(5) . ?
C88 B1 1.648(5) . ?
C89 H89 0.9500 . ?
C89 C90 1.413(5) . ?
C90 H90 0.9500 . ?
C90 C91 1.382(7) . ?
C91 H91 0.9500 . ?
C91 C92 1.391(7) . ?
C92 H92 0.9500 . ?
C92 C93 1.388(5) . ?
C93 H93 0.9500 . ?
C94 C95 1.409(6) . ?
C94 C99 1.412(6) . ?
C94 B1 1.650(5) . ?
C95 H95 0.9500 . ?
C95 C96 1.393(6) . ?
C96 H96 0.9500 . ?
C96 C97 1.386(9) . ?
C97 H97 0.9500 . ?
C97 C98 1.377(8) . ?
C98 H98 0.9500 . ?
C98 C99 1.397(5) . ?
C99 H99 0.9500 . ?
C100 C101 1.404(5) . ?
C100 C105 1.411(5) . ?
C100 B1 1.656(5) . ?
C101 H101 0.9500 . ?
C101 C102 1.396(5) . ?
C102 H102 0.9500 . ?
C102 C103 1.388(5) . ?
C103 H103 0.9500 . ?
C103 C104 1.387(5) . ?
C104 H104 0.9500 . ?
C104 C105 1.388(5) . ?
C105 H105 0.9500 . ?
C106 C107 1.399(5) . ?
C106 C111 1.408(5) . ?
C106 B2 1.643(5) . ?
C107 H107 0.9500 . ?
C107 C108 1.393(5) . ?
C108 H108 0.9500 . ?
C108 C109 1.390(5) . ?
C109 H109 0.9500 . ?
C109 C110 1.390(5) . ?
C110 H110 0.9500 . ?
C110 C111 1.385(5) . ?
C111 H111 0.9500 . ?
C112 C113 1.396(5) . ?
C112 C117 1.403(5) . ?
C112 B2 1.654(5) . ?
C113 H113 0.9500 . ?
C113 C114 1.405(6) . ?
C114 H114 0.9500 . ?
C114 C115 1.377(7) . ?
C115 H115 0.9500 . ?
C115 C116 1.386(8) . ?
C116 H116 0.9500 . ?
C116 C117 1.393(6) . ?
C117 H117 0.9500 . ?
C118 C119 1.403(6) . ?
C118 C123 1.401(6) . ?
C118 B2 1.657(5) . ?
C119 H119 0.9500 . ?
C119 C120 1.392(5) . ?
C120 H120 0.9500 . ?
C120 C121 1.385(7) . ?
C121 H121 0.9500 . ?
C121 C122 1.366(8) . ?
C122 H122 0.9500 . ?
C122 C123 1.409(6) . ?
C123 H123 0.9500 . ?
C124 C125 1.396(6) . ?
C124 C129 1.403(5) . ?
C124 B2 1.662(5) . ?
C125 H125 0.9500 . ?
C125 C126 1.399(6) . ?
C126 H126 0.9500 . ?
C126 C127 1.394(6) . ?
C127 H127 0.9500 . ?
C127 C128 1.380(6) . ?
C128 H128 0.9500 . ?
C128 C129 1.403(5) . ?
C129 H129 0.9500 . ?

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
Cl1 Os1 P1 84.55(3) . . ?
Cl1 Os1 P2 87.00(2) . . ?
P2 Os1 P1 171.53(2) . . ?
N1 Os1 Cl1 176.96(7) . . ?
N1 Os1 P1 94.81(7) . . ?
N1 Os1 P2 93.61(7) . . ?
C1 Os1 Cl1 102.91(8) . . ?
C1 Os1 P1 89.60(8) . . ?
C1 Os1 P2 91.85(8) . . ?
C1 Os1 N1 74.10(11) . . ?
C9 Os1 Cl1 109.20(9) . . ?
C9 Os1 P1 93.35(9) . . ?
C9 Os1 P2 89.85(9) . . ?
C9 Os1 N1 73.79(11) . . ?
C9 Os1 C1 147.89(12) . . ?
C28 P1 Os1 114.44(11) . . ?
C28 P1 C34 104.07(15) . . ?
C28 P1 C40 103.64(14) . . ?
C34 P1 Os1 117.14(10) . . ?
C40 P1 Os1 113.94(11) . . ?
C40 P1 C34 101.91(15) . . ?
C10 P2 Os1 113.30(11) . . ?
C10 P2 C16 103.23(15) . . ?
C10 P2 C22 104.79(14) . . ?
C16 P2 Os1 115.72(11) . . ?
C22 P2 Os1 115.90(10) . . ?
C22 P2 C16 102.33(14) . . ?
C2 P3 C64 112.55(14) . . ?
C2 P3 C70 108.53(14) . . ?
C2 P3 C76 108.52(14) . . ?
C64 P3 C70 110.12(14) . . ?
C64 P3 C76 107.01(15) . . ?
C70 P3 C76 110.08(15) . . ?
C8 P4 C46 112.79(14) . . ?
C8 P4 C52 109.67(15) . . ?
C8 P4 C58 106.98(14) . . ?
C46 P4 C52 110.91(15) . . ?
C46 P4 C58 107.52(15) . . ?
C58 P4 C52 108.80(17) . . ?
C3 N1 Os1 120.36(19) . . ?
C3 N1 C7 120.5(2) . . ?
C7 N1 Os1 119.15(19) . . ?
Os1 C1 H1 119.3 . . ?
C2 C1 Os1 121.4(2) . . ?
C2 C1 H1 119.3 . . ?
C1 C2 P3 123.4(2) . . ?
C1 C2 C3 113.3(3) . . ?
C3 C2 P3 123.1(2) . . ?
N1 C3 C2 110.8(2) . . ?
N1 C3 C4 120.5(3) . . ?
C4 C3 C2 128.6(3) . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.1(3) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.2(3) . . ?
C7 C6 H6 120.4 . . ?
N1 C7 C6 120.5(3) . . ?
N1 C7 C8 110.1(2) . . ?
C6 C7 C8 129.4(3) . . ?
C7 C8 P4 126.9(2) . . ?
C9 C8 P4 121.8(2) . . ?
C9 C8 C7 110.5(3) . . ?
C8 C9 Os1 126.3(2) . . ?
C11 C10 P2 117.5(2) . . ?
C11 C10 C15 118.6(3) . . ?
C15 C10 P2 123.9(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.9(3) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.0(3) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.9(3) . . ?
C15 C14 H14 119.6 . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 120.0(3) . . ?
C14 C15 H15 120.0 . . ?
C17 C16 P2 121.1(3) . . ?
C17 C16 C21 119.6(3) . . ?
C21 C16 P2 119.1(3) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.6(4) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.7(3) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C21 121.3(4) . . ?
C21 C20 H20 119.4 . . ?
C16 C21 H21 120.2 . . ?
C20 C21 C16 119.6(3) . . ?
C20 C21 H21 120.2 . . ?
C23 C22 P2 122.1(2) . . ?
C27 C22 P2 119.3(2) . . ?
C27 C22 C23 118.6(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(3) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0(3) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0(3) . . ?
C27 C26 H26 120.0 . . ?
C22 C27 H27 119.5 . . ?
C26 C27 C22 121.0(3) . . ?
C26 C27 H27 119.5 . . ?
C29 C28 P1 119.3(3) . . ?
C29 C28 C33 118.6(3) . . ?
C33 C28 P1 122.0(3) . . ?
C28 C29 H29 119.5 . . ?
C28 C29 C30 120.9(3) . . ?
C30 C29 H29 119.5 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.1(4) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.5 . . ?
C32 C31 C30 119.0(3) . . ?
C32 C31 H31 120.5 . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.9(4) . . ?
C33 C32 H32 119.6 . . ?
C28 C33 C32 120.4(4) . . ?
C28 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C35 C34 P1 118.4(3) . . ?
C35 C34 C39 118.4(3) . . ?
C39 C34 P1 122.9(2) . . ?
C34 C35 H35 119.4 . . ?
C34 C35 C36 121.3(3) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0(3) . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.6(3) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.4(4) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.8 . . ?
C38 C39 C34 120.3(3) . . ?
C38 C39 H39 119.8 . . ?
C41 C40 P1 119.3(3) . . ?
C45 C40 P1 121.2(3) . . ?
C45 C40 C41 119.5(3) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 C40 119.4(3) . . ?
C42 C41 H41 120.3 . . ?
C41 C42 H42 119.5 . . ?
C43 C42 C41 121.0(4) . . ?
C43 C42 H42 119.5 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.9(3) . . ?
C44 C43 H43 120.1 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 120.0(3) . . ?
C45 C44 H44 120.0 . . ?
C40 C45 C44 120.2(3) . . ?
C40 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C47 C46 P4 121.2(2) . . ?
C47 C46 C51 120.2(3) . . ?
C51 C46 P4 118.6(2) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 C46 119.2(3) . . ?
C48 C47 H47 120.4 . . ?
C47 C48 H48 119.7 . . ?
C49 C48 C47 120.6(3) . . ?
C49 C48 H48 119.7 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 C48 120.0(3) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.1(3) . . ?
C51 C50 H50 120.0 . . ?
C46 C51 H51 120.1 . . ?
C50 C51 C46 119.8(3) . . ?
C50 C51 H51 120.1 . . ?
C53 C52 P4 122.5(3) . . ?
C57 C52 P4 117.7(3) . . ?
C57 C52 C53 119.7(3) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 C52 119.3(3) . . ?
C54 C53 H53 120.4 . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.4(3) . . ?
C55 C54 H54 119.8 . . ?
C54 C55 H55 119.7 . . ?
C54 C55 C56 120.5(4) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 119.9(4) . . ?
C57 C56 H56 120.0 . . ?
C52 C57 H57 119.9 . . ?
C56 C57 C52 120.1(4) . . ?
C56 C57 H57 119.9 . . ?
C59 C58 P4 118.4(3) . . ?
C59 C58 C63 120.9(4) . . ?
C63 C58 P4 120.6(3) . . ?
C58 C59 H59 120.2 . . ?
C58 C59 C60 119.7(5) . . ?
C60 C59 H59 120.2 . . ?
C59 C60 H60 120.8 . . ?
C61 C60 C59 118.3(5) . . ?
C61 C60 H60 120.8 . . ?
C60 C61 H61 119.0 . . ?
C62 C61 C60 122.1(4) . . ?
C62 C61 H61 119.0 . . ?
C61 C62 H62 120.1 . . ?
C61 C62 C63 119.9(5) . . ?
C63 C62 H62 120.1 . . ?
C58 C63 H63 120.4 . . ?
C62 C63 C58 119.1(5) . . ?
C62 C63 H63 120.4 . . ?
C65 C64 P3 122.4(2) . . ?
C65 C64 C69 120.2(3) . . ?
C69 C64 P3 117.4(2) . . ?
C64 C65 H65 120.3 . . ?
C66 C65 C64 119.3(3) . . ?
C66 C65 H65 120.3 . . ?
C65 C66 H66 119.9 . . ?
C65 C66 C67 120.3(3) . . ?
C67 C66 H66 119.9 . . ?
C66 C67 H67 119.7 . . ?
C68 C67 C66 120.5(3) . . ?
C68 C67 H67 119.7 . . ?
C67 C68 H68 120.1 . . ?
C67 C68 C69 119.8(3) . . ?
C69 C68 H68 120.1 . . ?
C64 C69 H69 120.0 . . ?
C68 C69 C64 119.9(3) . . ?
C68 C69 H69 120.0 . . ?
C71 C70 P3 117.1(2) . . ?
C75 C70 P3 122.6(3) . . ?
C75 C70 C71 120.3(3) . . ?
C70 C71 H71 119.8 . . ?
C72 C71 C70 120.3(3) . . ?
C72 C71 H71 119.8 . . ?
C71 C72 H72 120.9 . . ?
C71 C72 C73 118.2(4) . . ?
C73 C72 H72 120.9 . . ?
C72 C73 H73 119.2 . . ?
C74 C73 C72 121.7(3) . . ?
C74 C73 H73 119.2 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 119.9(3) . . ?
C75 C74 H74 120.0 . . ?
C70 C75 H75 120.2 . . ?
C74 C75 C70 119.6(3) . . ?
C74 C75 H75 120.2 . . ?
C77 C76 P3 121.4(2) . . ?
C77 C76 C81 120.3(3) . . ?
C81 C76 P3 118.3(3) . . ?
C76 C77 H77 120.2 . . ?
C76 C77 C78 119.6(3) . . ?
C78 C77 H77 120.2 . . ?
C77 C78 H78 119.9 . . ?
C79 C78 C77 120.3(3) . . ?
C79 C78 H78 119.9 . . ?
C78 C79 H79 119.9 . . ?
C80 C79 C78 120.3(3) . . ?
C80 C79 H79 119.9 . . ?
C79 C80 H80 120.0 . . ?
C79 C80 C81 120.0(3) . . ?
C81 C80 H80 120.0 . . ?
C76 C81 H81 120.2 . . ?
C80 C81 C76 119.6(3) . . ?
C80 C81 H81 120.2 . . ?
C83 C82 C87 114.8(3) . . ?
C83 C82 B1 121.4(3) . . ?
C87 C82 B1 123.5(3) . . ?
C82 C83 H83 118.5 . . ?
C82 C83 C84 123.1(4) . . ?
C84 C83 H83 118.5 . . ?
C83 C84 H84 120.1 . . ?
C85 C84 C83 119.9(4) . . ?
C85 C84 H84 120.1 . . ?
C84 C85 H85 120.4 . . ?
C84 C85 C86 119.2(4) . . ?
C86 C85 H85 120.4 . . ?
C85 C86 H86 120.1 . . ?
C85 C86 C87 119.8(4) . . ?
C87 C86 H86 120.1 . . ?
C82 C87 H87 118.4 . . ?
C86 C87 C82 123.2(3) . . ?
C86 C87 H87 118.4 . . ?
C89 C88 C93 116.4(3) . . ?
C89 C88 B1 124.5(3) . . ?
C93 C88 B1 119.0(3) . . ?
C88 C89 H89 118.9 . . ?
C88 C89 C90 122.2(4) . . ?
C90 C89 H89 118.9 . . ?
C89 C90 H90 120.2 . . ?
C91 C90 C89 119.6(4) . . ?
C91 C90 H90 120.2 . . ?
C90 C91 H91 120.1 . . ?
C90 C91 C92 119.9(3) . . ?
C92 C91 H91 120.1 . . ?
C91 C92 H92 120.1 . . ?
C93 C92 C91 119.8(4) . . ?
C93 C92 H92 120.1 . . ?
C88 C93 H93 119.0 . . ?
C92 C93 C88 122.0(4) . . ?
C92 C93 H93 119.0 . . ?
C95 C94 C99 115.3(3) . . ?
C95 C94 B1 125.1(3) . . ?
C99 C94 B1 119.6(3) . . ?
C94 C95 H95 118.6 . . ?
C96 C95 C94 122.8(5) . . ?
C96 C95 H95 118.6 . . ?
C95 C96 H96 120.0 . . ?
C97 C96 C95 120.1(5) . . ?
C97 C96 H96 120.0 . . ?
C96 C97 H97 120.5 . . ?
C98 C97 C96 119.0(4) . . ?
C98 C97 H97 120.5 . . ?
C97 C98 H98 119.5 . . ?
C97 C98 C99 121.0(5) . . ?
C99 C98 H98 119.5 . . ?
C94 C99 H99 119.1 . . ?
C98 C99 C94 121.7(4) . . ?
C98 C99 H99 119.1 . . ?
C101 C100 C105 114.6(3) . . ?
C101 C100 B1 123.9(3) . . ?
C105 C100 B1 121.5(3) . . ?
C100 C101 H101 118.5 . . ?
C102 C101 C100 123.0(3) . . ?
C102 C101 H101 118.5 . . ?
C101 C102 H102 119.9 . . ?
C103 C102 C101 120.2(3) . . ?
C103 C102 H102 119.9 . . ?
C102 C103 H103 120.7 . . ?
C104 C103 C102 118.6(3) . . ?
C104 C103 H103 120.7 . . ?
C103 C104 H104 119.8 . . ?
C103 C104 C105 120.4(3) . . ?
C105 C104 H104 119.8 . . ?
C100 C105 H105 118.5 . . ?
C104 C105 C100 123.1(3) . . ?
C104 C105 H105 118.5 . . ?
C82 B1 C88 108.4(3) . . ?
C82 B1 C94 113.9(3) . . ?
C82 B1 C100 107.0(3) . . ?
C88 B1 C94 106.9(3) . . ?
C88 B1 C100 110.1(3) . . ?
C94 B1 C100 110.5(3) . . ?
C107 C106 C111 115.0(3) . . ?
C107 C106 B2 126.1(3) . . ?
C111 C106 B2 118.9(3) . . ?
C106 C107 H107 118.5 . . ?
C108 C107 C106 122.9(3) . . ?
C108 C107 H107 118.5 . . ?
C107 C108 H108 119.9 . . ?
C109 C108 C107 120.2(3) . . ?
C109 C108 H108 119.9 . . ?
C108 C109 H109 120.7 . . ?
C108 C109 C110 118.7(3) . . ?
C110 C109 H109 120.7 . . ?
C109 C110 H110 119.9 . . ?
C111 C110 C109 120.2(3) . . ?
C111 C110 H110 119.9 . . ?
C106 C111 H111 118.5 . . ?
C110 C111 C106 123.0(3) . . ?
C110 C111 H111 118.5 . . ?
C113 C112 C117 114.5(4) . . ?
C113 C112 B2 126.8(3) . . ?
C117 C112 B2 118.7(3) . . ?
C112 C113 H113 118.4 . . ?
C112 C113 C114 123.2(4) . . ?
C114 C113 H113 118.4 . . ?
C113 C114 H114 120.0 . . ?
C115 C114 C113 119.9(4) . . ?
C115 C114 H114 120.0 . . ?
C114 C115 H115 120.5 . . ?
C114 C115 C116 119.0(4) . . ?
C116 C115 H115 120.5 . . ?
C115 C116 H116 120.1 . . ?
C115 C116 C117 119.9(4) . . ?
C117 C116 H116 120.1 . . ?
C112 C117 H117 118.3 . . ?
C116 C117 C112 123.4(4) . . ?
C116 C117 H117 118.3 . . ?
C119 C118 B2 119.0(3) . . ?
C123 C118 C119 115.3(3) . . ?
C123 C118 B2 125.7(3) . . ?
C118 C119 H119 118.3 . . ?
C120 C119 C118 123.4(4) . . ?
C120 C119 H119 118.3 . . ?
C119 C120 H120 120.2 . . ?
C121 C120 C119 119.6(4) . . ?
C121 C120 H120 120.2 . . ?
C120 C121 H121 120.4 . . ?
C122 C121 C120 119.1(4) . . ?
C122 C121 H121 120.4 . . ?
C121 C122 H122 119.4 . . ?
C121 C122 C123 121.1(4) . . ?
C123 C122 H122 119.4 . . ?
C118 C123 C122 121.5(4) . . ?
C118 C123 H123 119.2 . . ?
C122 C123 H123 119.2 . . ?
C125 C124 C129 115.5(3) . . ?
C125 C124 B2 122.3(3) . . ?
C129 C124 B2 122.2(3) . . ?
C124 C125 H125 118.6 . . ?
C124 C125 C126 122.9(4) . . ?
C126 C125 H125 118.6 . . ?
C125 C126 H126 120.0 . . ?
C127 C126 C125 120.0(4) . . ?
C127 C126 H126 120.0 . . ?
C126 C127 H127 120.7 . . ?
C128 C127 C126 118.6(4) . . ?
C128 C127 H127 120.7 . . ?
C127 C128 H128 119.6 . . ?
C127 C128 C129 120.7(4) . . ?
C129 C128 H128 119.6 . . ?
C124 C129 H129 118.9 . . ?
C128 C129 C124 122.2(4) . . ?
C128 C129 H129 118.9 . . ?
C106 B2 C112 106.8(3) . . ?
C106 B2 C118 109.6(3) . . ?
C106 B2 C124 109.2(3) . . ?
C112 B2 C118 110.8(3) . . ?
C112 B2 C124 112.8(3) . . ?
C118 B2 C124 107.6(3) . . ?

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 C28 C29 65.4(3) . . . . ?
Os1 P1 C28 C33 -113.9(3) . . . . ?
Os1 P1 C34 C35 52.0(3) . . . . ?
Os1 P1 C34 C39 -135.2(3) . . . . ?
Os1 P1 C40 C41 40.2(3) . . . . ?
Os1 P1 C40 C45 -141.3(2) . . . . ?
Os1 P2 C10 C11 58.2(3) . . . . ?
Os1 P2 C10 C15 -123.0(3) . . . . ?
Os1 P2 C16 C17 25.5(3) . . . . ?
Os1 P2 C16 C21 -159.0(2) . . . . ?
Os1 P2 C22 C23 -124.1(3) . . . . ?
Os1 P2 C22 C27 59.2(3) . . . . ?
Os1 N1 C3 C2 1.0(3) . . . . ?
Os1 N1 C3 C4 178.7(2) . . . . ?
Os1 N1 C7 C6 -178.5(2) . . . . ?
Os1 N1 C7 C8 2.0(3) . . . . ?
Os1 C1 C2 P3 -178.57(15) . . . . ?
Os1 C1 C2 C3 -2.9(4) . . . . ?
P1 C28 C29 C30 178.9(3) . . . . ?
P1 C28 C33 C32 179.7(3) . . . . ?
P1 C34 C35 C36 173.7(3) . . . . ?
P1 C34 C39 C38 -172.9(3) . . . . ?
P1 C40 C41 C42 177.8(3) . . . . ?
P1 C40 C45 C44 179.4(3) . . . . ?
P2 C10 C11 C12 179.9(3) . . . . ?
P2 C10 C15 C14 177.9(3) . . . . ?
P2 C16 C17 C18 175.6(3) . . . . ?
P2 C16 C21 C20 -175.3(3) . . . . ?
P2 C22 C23 C24 -176.0(3) . . . . ?
P2 C22 C27 C26 176.2(2) . . . . ?
P3 C2 C3 N1 176.8(2) . . . . ?
P3 C2 C3 C4 -0.6(5) . . . . ?
P3 C64 C65 C66 -179.2(2) . . . . ?
P3 C64 C69 C68 -179.5(2) . . . . ?
P3 C70 C71 C72 -177.5(3) . . . . ?
P3 C70 C75 C74 177.5(3) . . . . ?
P3 C76 C77 C78 179.8(3) . . . . ?
P3 C76 C81 C80 179.5(3) . . . . ?
P4 C8 C9 Os1 -173.56(17) . . . . ?
P4 C46 C47 C48 179.8(2) . . . . ?
P4 C46 C51 C50 179.8(3) . . . . ?
P4 C52 C53 C54 175.0(3) . . . . ?
P4 C52 C57 C56 -175.4(4) . . . . ?
P4 C58 C59 C60 -177.9(3) . . . . ?
P4 C58 C63 C62 178.6(3) . . . . ?
N1 C3 C4 C5 -0.7(5) . . . . ?
N1 C7 C8 P4 170.4(2) . . . . ?
N1 C7 C8 C9 0.2(4) . . . . ?
C1 C2 C3 N1 1.1(4) . . . . ?
C1 C2 C3 C4 -176.3(3) . . . . ?
C2 P3 C64 C65 -11.3(3) . . . . ?
C2 P3 C64 C69 167.9(2) . . . . ?
C2 P3 C70 C71 -48.7(3) . . . . ?
C2 P3 C70 C75 132.1(3) . . . . ?
C2 P3 C76 C77 95.0(3) . . . . ?
C2 P3 C76 C81 -85.7(3) . . . . ?
C2 C3 C4 C5 176.5(3) . . . . ?
C3 N1 C7 C6 0.4(4) . . . . ?
C3 N1 C7 C8 -179.1(3) . . . . ?
C3 C4 C5 C6 1.5(5) . . . . ?
C4 C5 C6 C7 -1.4(5) . . . . ?
C5 C6 C7 N1 0.4(5) . . . . ?
C5 C6 C7 C8 179.7(3) . . . . ?
C6 C7 C8 P4 -9.0(5) . . . . ?
C6 C7 C8 C9 -179.2(3) . . . . ?
C7 N1 C3 C2 -177.9(3) . . . . ?
C7 N1 C3 C4 -0.2(4) . . . . ?
C7 C8 C9 Os1 -2.8(4) . . . . ?
C8 P4 C46 C47 -0.8(3) . . . . ?
C8 P4 C46 C51 177.3(2) . . . . ?
C8 P4 C52 C53 138.4(3) . . . . ?
C8 P4 C52 C57 -44.7(3) . . . . ?
C8 P4 C58 C59 -79.8(3) . . . . ?
C8 P4 C58 C63 101.7(3) . . . . ?
C10 P2 C16 C17 149.8(3) . . . . ?
C10 P2 C16 C21 -34.7(3) . . . . ?
C10 P2 C22 C23 110.3(3) . . . . ?
C10 P2 C22 C27 -66.5(3) . . . . ?
C10 C11 C12 C13 1.3(6) . . . . ?
C11 C10 C15 C14 -3.3(5) . . . . ?
C11 C12 C13 C14 -1.2(6) . . . . ?
C12 C13 C14 C15 -1.1(6) . . . . ?
C13 C14 C15 C10 3.4(5) . . . . ?
C15 C10 C11 C12 1.0(5) . . . . ?
C16 P2 C10 C11 -67.8(3) . . . . ?
C16 P2 C10 C15 111.0(3) . . . . ?
C16 P2 C22 C23 2.8(3) . . . . ?
C16 P2 C22 C27 -174.0(3) . . . . ?
C16 C17 C18 C19 -0.7(5) . . . . ?
C17 C16 C21 C20 0.2(5) . . . . ?
C17 C18 C19 C20 0.8(6) . . . . ?
C18 C19 C20 C21 -0.5(6) . . . . ?
C19 C20 C21 C16 -0.1(5) . . . . ?
C21 C16 C17 C18 0.1(5) . . . . ?
C22 P2 C10 C11 -174.6(3) . . . . ?
C22 P2 C10 C15 4.2(3) . . . . ?
C22 P2 C16 C17 -101.5(3) . . . . ?
C22 P2 C16 C21 74.0(3) . . . . ?
C22 C23 C24 C25 -0.3(5) . . . . ?
C23 C22 C27 C26 -0.7(5) . . . . ?
C23 C24 C25 C26 -0.1(5) . . . . ?
C24 C25 C26 C27 0.2(5) . . . . ?
C25 C26 C27 C22 0.2(5) . . . . ?
C27 C22 C23 C24 0.7(5) . . . . ?
C28 P1 C34 C35 179.4(3) . . . . ?
C28 P1 C34 C39 -7.8(3) . . . . ?
C28 P1 C40 C41 -84.8(3) . . . . ?
C28 P1 C40 C45 93.7(3) . . . . ?
C28 C29 C30 C31 1.3(6) . . . . ?
C29 C28 C33 C32 0.4(5) . . . . ?
C29 C30 C31 C32 0.7(6) . . . . ?
C30 C31 C32 C33 -2.1(6) . . . . ?
C31 C32 C33 C28 1.6(6) . . . . ?
C33 C28 C29 C30 -1.8(6) . . . . ?
C34 P1 C28 C29 -63.6(3) . . . . ?
C34 P1 C28 C33 117.0(3) . . . . ?
C34 P1 C40 C41 167.3(3) . . . . ?
C34 P1 C40 C45 -14.2(3) . . . . ?
C34 C35 C36 C37 -0.3(6) . . . . ?
C35 C34 C39 C38 -0.1(5) . . . . ?
C35 C36 C37 C38 -0.3(6) . . . . ?
C36 C37 C38 C39 0.7(6) . . . . ?
C37 C38 C39 C34 -0.5(6) . . . . ?
C39 C34 C35 C36 0.6(5) . . . . ?
C40 P1 C28 C29 -169.9(3) . . . . ?
C40 P1 C28 C33 10.8(3) . . . . ?
C40 P1 C34 C35 -73.1(3) . . . . ?
C40 P1 C34 C39 99.8(3) . . . . ?
C40 C41 C42 C43 3.2(6) . . . . ?
C41 C40 C45 C44 -2.2(5) . . . . ?
C41 C42 C43 C44 -2.9(6) . . . . ?
C42 C43 C44 C45 0.1(5) . . . . ?
C43 C44 C45 C40 2.5(5) . . . . ?
C45 C40 C41 C42 -0.6(5) . . . . ?
C46 P4 C8 C7 62.3(3) . . . . ?
C46 P4 C8 C9 -128.6(3) . . . . ?
C46 P4 C52 C53 13.2(3) . . . . ?
C46 P4 C52 C57 -169.9(3) . . . . ?
C46 P4 C58 C59 41.6(3) . . . . ?
C46 P4 C58 C63 -136.9(3) . . . . ?
C46 C47 C48 C49 0.1(5) . . . . ?
C47 C46 C51 C50 -2.0(5) . . . . ?
C47 C48 C49 C50 -1.5(5) . . . . ?
C48 C49 C50 C51 1.2(5) . . . . ?
C49 C50 C51 C46 0.6(5) . . . . ?
C51 C46 C47 C48 1.7(5) . . . . ?
C52 P4 C8 C7 -61.9(3) . . . . ?
C52 P4 C8 C9 107.3(3) . . . . ?
C52 P4 C46 C47 122.6(3) . . . . ?
C52 P4 C46 C51 -59.2(3) . . . . ?
C52 P4 C58 C59 161.8(3) . . . . ?
C52 P4 C58 C63 -16.7(3) . . . . ?
C52 C53 C54 C55 1.1(5) . . . . ?
C53 C52 C57 C56 1.5(6) . . . . ?
C53 C54 C55 C56 0.1(6) . . . . ?
C54 C55 C56 C57 -0.5(7) . . . . ?
C55 C56 C57 C52 -0.3(8) . . . . ?
C57 C52 C53 C54 -1.9(5) . . . . ?
C58 P4 C8 C7 -179.7(3) . . . . ?
C58 P4 C8 C9 -10.6(3) . . . . ?
C58 P4 C46 C47 -118.5(3) . . . . ?
C58 P4 C46 C51 59.6(3) . . . . ?
C58 P4 C52 C53 -104.9(3) . . . . ?
C58 P4 C52 C57 72.0(3) . . . . ?
C58 C59 C60 C61 -0.6(6) . . . . ?
C59 C58 C63 C62 0.1(6) . . . . ?
C59 C60 C61 C62 0.1(7) . . . . ?
C60 C61 C62 C63 0.6(7) . . . . ?
C61 C62 C63 C58 -0.7(6) . . . . ?
C63 C58 C59 C60 0.6(6) . . . . ?
C64 P3 C2 C1 -114.0(3) . . . . ?
C64 P3 C2 C3 70.7(3) . . . . ?
C64 P3 C70 C71 -172.3(2) . . . . ?
C64 P3 C70 C75 8.5(3) . . . . ?
C64 P3 C76 C77 -143.3(3) . . . . ?
C64 P3 C76 C81 36.0(3) . . . . ?
C64 C65 C66 C67 -1.7(5) . . . . ?
C65 C64 C69 C68 -0.3(5) . . . . ?
C65 C66 C67 C68 0.5(5) . . . . ?
C66 C67 C68 C69 0.8(5) . . . . ?
C67 C68 C69 C64 -0.9(5) . . . . ?
C69 C64 C65 C66 1.6(4) . . . . ?
C70 P3 C2 C1 123.8(3) . . . . ?
C70 P3 C2 C3 -51.4(3) . . . . ?
C70 P3 C64 C65 109.9(3) . . . . ?
C70 P3 C64 C69 -70.9(3) . . . . ?
C70 P3 C76 C77 -23.7(3) . . . . ?
C70 P3 C76 C81 155.7(3) . . . . ?
C70 C71 C72 C73 -0.4(5) . . . . ?
C71 C70 C75 C74 -1.7(5) . . . . ?
C71 C72 C73 C74 -1.0(5) . . . . ?
C72 C73 C74 C75 1.0(6) . . . . ?
C73 C74 C75 C70 0.4(5) . . . . ?
C75 C70 C71 C72 1.8(5) . . . . ?
C76 P3 C2 C1 4.2(3) . . . . ?
C76 P3 C2 C3 -171.1(2) . . . . ?
C76 P3 C64 C65 -130.4(3) . . . . ?
C76 P3 C64 C69 48.8(3) . . . . ?
C76 P3 C70 C71 70.0(3) . . . . ?
C76 P3 C70 C75 -109.3(3) . . . . ?
C76 C77 C78 C79 0.3(5) . . . . ?
C77 C76 C81 C80 -1.1(5) . . . . ?
C77 C78 C79 C80 -0.3(5) . . . . ?
C78 C79 C80 C81 -0.4(6) . . . . ?
C79 C80 C81 C76 1.1(5) . . . . ?
C81 C76 C77 C78 0.4(5) . . . . ?
C82 C83 C84 C85 2.1(8) . . . . ?
C83 C82 C87 C86 -0.9(5) . . . . ?
C83 C82 B1 C88 179.7(3) . . . . ?
C83 C82 B1 C94 -61.4(4) . . . . ?
C83 C82 B1 C100 61.0(4) . . . . ?
C83 C84 C85 C86 -1.1(8) . . . . ?
C84 C85 C86 C87 -0.8(7) . . . . ?
C85 C86 C87 C82 1.8(6) . . . . ?
C87 C82 C83 C84 -1.1(6) . . . . ?
C87 C82 B1 C88 6.1(5) . . . . ?
C87 C82 B1 C94 125.0(3) . . . . ?
C87 C82 B1 C100 -112.7(3) . . . . ?
C88 C89 C90 C91 -1.9(5) . . . . ?
C89 C88 C93 C92 1.0(5) . . . . ?
C89 C88 B1 C82 -108.8(3) . . . . ?
C89 C88 B1 C94 128.0(3) . . . . ?
C89 C88 B1 C100 7.9(4) . . . . ?
C89 C90 C91 C92 1.4(5) . . . . ?
C90 C91 C92 C93 0.2(5) . . . . ?
C91 C92 C93 C88 -1.4(5) . . . . ?
C93 C88 C89 C90 0.6(5) . . . . ?
C93 C88 B1 C82 68.4(4) . . . . ?
C93 C88 B1 C94 -54.8(4) . . . . ?
C93 C88 B1 C100 -174.9(3) . . . . ?
C94 C95 C96 C97 -1.0(6) . . . . ?
C95 C94 C99 C98 2.3(5) . . . . ?
C95 C94 B1 C82 13.3(4) . . . . ?
C95 C94 B1 C88 133.0(3) . . . . ?
C95 C94 B1 C100 -107.2(4) . . . . ?
C95 C96 C97 C98 1.7(6) . . . . ?
C96 C97 C98 C99 -0.3(6) . . . . ?
C97 C98 C99 C94 -1.7(5) . . . . ?
C99 C94 C95 C96 -0.9(5) . . . . ?
C99 C94 B1 C82 -166.9(3) . . . . ?
C99 C94 B1 C88 -47.2(4) . . . . ?
C99 C94 B1 C100 72.6(4) . . . . ?
C100 C101 C102 C103 -0.7(5) . . . . ?
C101 C100 C105 C104 0.9(5) . . . . ?
C101 C100 B1 C82 -156.4(3) . . . . ?
C101 C100 B1 C88 86.0(4) . . . . ?
C101 C100 B1 C94 -31.9(4) . . . . ?
C101 C102 C103 C104 0.7(5) . . . . ?
C102 C103 C104 C105 0.1(5) . . . . ?
C103 C104 C105 C100 -0.9(6) . . . . ?
C105 C100 C101 C102 0.0(5) . . . . ?
C105 C100 B1 C82 25.8(4) . . . . ?
C105 C100 B1 C88 -91.8(4) . . . . ?
C105 C100 B1 C94 150.4(3) . . . . ?
B1 C82 C83 C84 -175.2(4) . . . . ?
B1 C82 C87 C86 173.1(3) . . . . ?
B1 C88 C89 C90 177.9(3) . . . . ?
B1 C88 C93 C92 -176.4(3) . . . . ?
B1 C94 C95 C96 178.9(3) . . . . ?
B1 C94 C99 C98 -177.6(3) . . . . ?
B1 C100 C101 C102 -177.9(3) . . . . ?
B1 C100 C105 C104 178.8(3) . . . . ?
C106 C107 C108 C109 -0.2(5) . . . . ?
C107 C106 C111 C110 -0.7(5) . . . . ?
C107 C106 B2 C112 -120.1(3) . . . . ?
C107 C106 B2 C118 0.0(5) . . . . ?
C107 C106 B2 C124 117.6(4) . . . . ?
C107 C108 C109 C110 0.1(5) . . . . ?
C108 C109 C110 C111 -0.3(5) . . . . ?
C109 C110 C111 C106 0.6(5) . . . . ?
C111 C106 C107 C108 0.4(5) . . . . ?
C111 C106 B2 C112 60.4(4) . . . . ?
C111 C106 B2 C118 -179.6(3) . . . . ?
C111 C106 B2 C124 -62.0(4) . . . . ?
C112 C113 C114 C115 -2.1(6) . . . . ?
C113 C112 C117 C116 -3.3(6) . . . . ?
C113 C112 B2 C106 -120.5(4) . . . . ?
C113 C112 B2 C118 120.2(4) . . . . ?
C113 C112 B2 C124 -0.5(5) . . . . ?
C113 C114 C115 C116 -0.4(6) . . . . ?
C114 C115 C116 C117 0.9(6) . . . . ?
C115 C116 C117 C112 1.1(7) . . . . ?
C117 C112 C113 C114 3.9(5) . . . . ?
C117 C112 B2 C106 58.9(4) . . . . ?
C117 C112 B2 C118 -60.4(4) . . . . ?
C117 C112 B2 C124 178.9(3) . . . . ?
C118 C119 C120 C121 0.8(7) . . . . ?
C119 C118 C123 C122 -0.7(6) . . . . ?
C119 C118 B2 C106 68.8(4) . . . . ?
C119 C118 B2 C112 -173.6(3) . . . . ?
C119 C118 B2 C124 -49.9(4) . . . . ?
C119 C120 C121 C122 -0.8(7) . . . . ?
C120 C121 C122 C123 0.1(7) . . . . ?
C121 C122 C123 C118 0.6(7) . . . . ?
C123 C118 C119 C120 0.0(6) . . . . ?
C123 C118 B2 C106 -110.0(4) . . . . ?
C123 C118 B2 C112 7.6(5) . . . . ?
C123 C118 B2 C124 131.3(4) . . . . ?
C124 C125 C126 C127 -3.7(6) . . . . ?
C125 C124 C129 C128 -2.7(5) . . . . ?
C125 C124 B2 C106 165.0(3) . . . . ?
C125 C124 B2 C112 46.4(4) . . . . ?
C125 C124 B2 C118 -76.1(4) . . . . ?
C125 C126 C127 C128 -0.1(6) . . . . ?
C126 C127 C128 C129 2.3(6) . . . . ?
C127 C128 C129 C124 -0.8(5) . . . . ?
C129 C124 C125 C126 5.0(5) . . . . ?
C129 C124 B2 C106 -16.2(4) . . . . ?
C129 C124 B2 C112 -134.8(3) . . . . ?
C129 C124 B2 C118 102.7(4) . . . . ?
B2 C106 C107 C108 -179.1(3) . . . . ?
B2 C106 C111 C110 178.9(3) . . . . ?
B2 C112 C113 C114 -176.7(3) . . . . ?
B2 C112 C117 C116 177.2(4) . . . . ?
B2 C118 C119 C120 -178.9(4) . . . . ?
B2 C118 C123 C122 178.2(4) . . . . ?
B2 C124 C125 C126 -176.1(3) . . . . ?
B2 C124 C129 C128 178.4(3) . . . . ?

_smtbx_masks_special_details     ?
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 7.3 0.0 ?
2 0.500 0.000 0.500 762.2 148.7 ?
3 0.479 0.453 0.072 17.8 0.0 ?
4 0.521 0.547 0.928 17.8 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7
_database_code_depnum_ccdc_archive 'CCDC 2314889'
loop_
_audit_author_name
_audit_author_address
'Complex Seven'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-03-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6725)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H49 Cl2 N Os P3, C2 H4 Cl2, B F4'
_chemical_formula_sum            'C65 H53 B Cl4 F4 N Os P3'
_chemical_formula_weight         1359.80
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   22.014(3)
_cell_length_b                   21.683(3)
_cell_length_c                   12.1814(15)
_cell_angle_alpha                90
_cell_angle_beta                 98.337(5)
_cell_angle_gamma                90
_cell_volume                     5752.9(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9029
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      72.43
_cell_measurement_theta_min      4.08
_shelx_estimated_absorpt_T_max   0.535
_shelx_estimated_absorpt_T_min   0.535
_exptl_absorpt_coefficient_mu    7.140
_exptl_absorpt_correction_T_max  0.7535
_exptl_absorpt_correction_T_min  0.4303
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1767 before and 0.0872 after correction.
The Ratio of minimum to maximum transmission is 0.5711.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            54624
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.417
_diffrn_reflns_theta_min         4.078
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9704
_reflns_number_total             10943
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.485
_refine_diff_density_min         -1.293
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         10943
_refine_ls_number_restraints     159
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0359
_refine_ls_restrained_S_all      1.106
_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)+(0.0318P)²+18.0121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0896
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 F4-B01V \\sim F4A-B01V
 with sigma of 0.02
 F2-B01V \\sim F2A-B01V
 with sigma of 0.02
 B01V-F3 \\sim B01V-F3A
 with sigma of 0.02
 F3A-B01V \\sim F3-B01V \\sim C20-C19 \\sim F2-B01V \\sim F2A-B01V \\sim
F1-B01V \\sim F4A-B01V \\sim F4-
 B01V
 with sigma of 0.02
 Cl2S-C2SA \\sim Cl3S-C2SB
 with sigma of 0.02
 C1S-C2SA \\sim C1S-C2SB
 with sigma of 0.02
 Cl2S-C1S \\sim Cl3S-C1S
 with sigma of 0.04
 C2SB-C1S \\sim C2SA-C1S
 with sigma of 0.02
 Cl1S-C1S \\sim Cl2S-C2SA \\sim Cl3S-C2SB
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F1 \\sim B01V \\sim F2 \\sim F3 \\sim F4 \\sim F2A \\sim F3A \\sim F4A: within
2A with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
Cl1S \\sim C1S \\sim Cl2S \\sim C2SA \\sim Cl3S \\sim C2SB: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
4. Others
 Sof(F2A)=Sof(F3A)=Sof(F4A)=1-FVAR(1)
 Sof(F2)=Sof(F3)=Sof(F4)=FVAR(1)
 Sof(H1SC)=Sof(H1SD)=Sof(Cl3S)=Sof(C2SB)=Sof(H2SC)=Sof(H2SD)=1-FVAR(2)
 Sof(H1SA)=Sof(H1SB)=Sof(Cl2S)=Sof(C2SA)=Sof(H2SA)=Sof(H2SB)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C1S(H1SC,H1SD), C1S(H1SA,H1SB), C2SA(H2SA,H2SB), C2SB(H2SC,H2SD)
5.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C9(H9), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), 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),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.62212(2) 0.12843(2) 0.46489(2) 0.01562(6) Uani 1 1 d . . . . .
Cl1 Cl 0.82345(4) 0.18459(5) 0.43006(9) 0.0346(2) Uani 1 1 d . . . . .
Cl2 Cl 0.59476(4) 0.02374(3) 0.47964(6) 0.02105(17) Uani 1 1 d . . . . .
P1 P 0.59457(4) 0.11835(4) 0.26834(7) 0.01661(17) Uani 1 1 d . . . . .
P2 P 0.64881(4) 0.12872(4) 0.66160(7) 0.01550(17) Uani 1 1 d . . . . .
P3 P 0.48502(4) 0.28283(4) 0.50161(8) 0.02282(19) Uani 1 1 d . . . . .
N1 N 0.65052(14) 0.22024(13) 0.4529(2) 0.0178(6) Uani 1 1 d . . . . .
C1 C 0.55455(17) 0.17672(16) 0.4765(3) 0.0207(7) Uani 1 1 d . . . . .
C2 C 0.54913(17) 0.24019(16) 0.4732(3) 0.0216(7) Uani 1 1 d . . . . .
C3 C 0.60885(17) 0.26563(17) 0.4584(3) 0.0221(7) Uani 1 1 d . . . . .
C4 C 0.62628(19) 0.32740(17) 0.4474(3) 0.0282(8) Uani 1 1 d . . . . .
H4 H 0.597225 0.359687 0.448846 0.034 Uiso 1 1 calc R U . . .
C5 C 0.6863(2) 0.34056(18) 0.4345(4) 0.0333(9) Uani 1 1 d . . . . .
H5 H 0.698547 0.382211 0.427428 0.040 Uiso 1 1 calc R U . . .
C6 C 0.7286(2) 0.29381(18) 0.4319(3) 0.0306(8) Uani 1 1 d . . . . .
H6 H 0.769859 0.302916 0.423434 0.037 Uiso 1 1 calc R U . . .
C7 C 0.70970(17) 0.23319(17) 0.4418(3) 0.0230(7) Uani 1 1 d . . . . .
C8 C 0.74510(17) 0.17715(17) 0.4401(3) 0.0235(7) Uani 1 1 d . . . . .
C9 C 0.71567(16) 0.12389(16) 0.4479(3) 0.0196(7) Uani 1 1 d . . . . .
H9 H 0.736182 0.085453 0.445817 0.024 Uiso 1 1 calc R U . . .
C10 C 0.61364(16) 0.04700(16) 0.2024(3) 0.0192(7) Uani 1 1 d . . . . .
C11 C 0.58225(17) 0.03254(17) 0.0972(3) 0.0223(7) Uani 1 1 d . . . . .
H11 H 0.548686 0.057363 0.065457 0.027 Uiso 1 1 calc R U . . .
C12 C 0.59979(18) -0.01754(18) 0.0396(3) 0.0259(8) Uani 1 1 d . . . . .
H12 H 0.578357 -0.027132 -0.031729 0.031 Uiso 1 1 calc R U . . .
C13 C 0.64889(18) -0.05406(18) 0.0860(3) 0.0267(8) Uani 1 1 d . . . . .
H13 H 0.661090 -0.088403 0.045928 0.032 Uiso 1 1 calc R U . . .
C14 C 0.67995(17) -0.04052(17) 0.1900(3) 0.0235(7) Uani 1 1 d . . . . .
H14 H 0.713236 -0.065740 0.221601 0.028 Uiso 1 1 calc R U . . .
C15 C 0.66248(17) 0.01014(17) 0.2486(3) 0.0223(7) Uani 1 1 d . . . . .
H15 H 0.683900 0.019481 0.320128 0.027 Uiso 1 1 calc R U . . .
C16 C 0.51092(17) 0.12247(16) 0.2285(3) 0.0203(7) Uani 1 1 d . . . . .
C17 C 0.47635(18) 0.07579(17) 0.2690(3) 0.0245(8) Uani 1 1 d . . . . .
H17 H 0.496587 0.044092 0.314156 0.029 Uiso 1 1 calc R U . . .
C18 C 0.41278(18) 0.07526(19) 0.2439(3) 0.0285(8) Uani 1 1 d . . . . .
H18 H 0.389856 0.042682 0.270159 0.034 Uiso 1 1 calc R U . . .
C19 C 0.38282(18) 0.12214(19) 0.1808(3) 0.0286(8) Uani 1 1 d D . . . .
H19 H 0.339287 0.122031 0.164455 0.034 Uiso 1 1 calc R U . . .
C20 C 0.41609(19) 0.16901(19) 0.1416(3) 0.0297(8) Uani 1 1 d D . . . .
H20 H 0.395460 0.201538 0.099175 0.036 Uiso 1 1 calc R U . . .
C21 C 0.48030(18) 0.16872(18) 0.1642(3) 0.0249(8) Uani 1 1 d . . . . .
H21 H 0.503069 0.200522 0.135268 0.030 Uiso 1 1 calc R U . . .
C22 C 0.62830(17) 0.17564(17) 0.1864(3) 0.0228(7) Uani 1 1 d . . . . .
C23 C 0.67208(18) 0.15979(19) 0.1190(3) 0.0274(8) Uani 1 1 d . . . . .
H23 H 0.683846 0.117877 0.113476 0.033 Uiso 1 1 calc R U . . .
C24 C 0.69870(19) 0.2050(2) 0.0599(3) 0.0329(9) Uani 1 1 d . . . . .
H24 H 0.728936 0.193866 0.015204 0.039 Uiso 1 1 calc R U . . .
C25 C 0.6811(2) 0.2662(2) 0.0661(4) 0.0348(10) Uani 1 1 d . . . . .
H25 H 0.698117 0.296822 0.023695 0.042 Uiso 1 1 calc R U . . .
C26 C 0.6387(2) 0.2825(2) 0.1341(4) 0.0341(9) Uani 1 1 d . . . . .
H26 H 0.627211 0.324451 0.139498 0.041 Uiso 1 1 calc R U . . .
C27 C 0.61286(19) 0.23788(18) 0.1948(3) 0.0268(8) Uani 1 1 d . . . . .
H27 H 0.584385 0.249752 0.242525 0.032 Uiso 1 1 calc R U . . .
C28 C 0.69427(16) 0.06466(15) 0.7275(3) 0.0184(7) Uani 1 1 d . . . . .
C29 C 0.72302(17) 0.02238(16) 0.6670(3) 0.0221(7) Uani 1 1 d . . . . .
H29 H 0.718423 0.025721 0.588517 0.027 Uiso 1 1 calc R U . . .
C30 C 0.75841(18) -0.02473(16) 0.7199(3) 0.0251(8) Uani 1 1 d . . . . .
H30 H 0.777843 -0.053454 0.677420 0.030 Uiso 1 1 calc R U . . .
C31 C 0.76561(18) -0.03015(17) 0.8347(3) 0.0269(8) Uani 1 1 d . . . . .
H31 H 0.789692 -0.062621 0.870839 0.032 Uiso 1 1 calc R U . . .
C32 C 0.73737(18) 0.01222(18) 0.8963(3) 0.0271(8) Uani 1 1 d . . . . .
H32 H 0.742687 0.009118 0.974938 0.032 Uiso 1 1 calc R U . . .
C33 C 0.70154(18) 0.05891(18) 0.8437(3) 0.0248(8) Uani 1 1 d . . . . .
H33 H 0.681718 0.087268 0.886192 0.030 Uiso 1 1 calc R U . . .
C34 C 0.69418(17) 0.19586(16) 0.7110(3) 0.0199(7) Uani 1 1 d . . . . .
C35 C 0.75710(18) 0.19278(18) 0.7378(3) 0.0280(8) Uani 1 1 d . . . . .
H35 H 0.777657 0.154693 0.731538 0.034 Uiso 1 1 calc R U . . .
C36 C 0.79070(19) 0.2452(2) 0.7740(4) 0.0360(10) Uani 1 1 d . . . . .
H36 H 0.834073 0.242847 0.792547 0.043 Uiso 1 1 calc R U . . .
C37 C 0.7608(2) 0.30070(18) 0.7830(3) 0.0313(9) Uani 1 1 d . . . . .
H37 H 0.783632 0.336099 0.810178 0.038 Uiso 1 1 calc R U . . .
C38 C 0.69807(19) 0.30491(18) 0.7527(3) 0.0285(8) Uani 1 1 d . . . . .
H38 H 0.677797 0.343350 0.756710 0.034 Uiso 1 1 calc R U . . .
C39 C 0.66486(18) 0.25269(17) 0.7162(3) 0.0248(8) Uani 1 1 d . . . . .
H39 H 0.621716 0.255556 0.694633 0.030 Uiso 1 1 calc R U . . .
C40 C 0.58258(17) 0.13210(16) 0.7366(3) 0.0201(7) Uani 1 1 d . . . . .
C41 C 0.52784(17) 0.10170(17) 0.6943(3) 0.0232(7) Uani 1 1 d . . . . .
H41 H 0.525020 0.079657 0.626369 0.028 Uiso 1 1 calc R U . . .
C42 C 0.47781(18) 0.10385(19) 0.7519(3) 0.0288(8) Uani 1 1 d . . . . .
H42 H 0.441096 0.082701 0.723415 0.035 Uiso 1 1 calc R U . . .
C43 C 0.4809(2) 0.1365(2) 0.8503(3) 0.0309(9) Uani 1 1 d . . . . .
H43 H 0.446200 0.138528 0.888430 0.037 Uiso 1 1 calc R U . . .
C44 C 0.5353(2) 0.1663(2) 0.8929(3) 0.0313(9) Uani 1 1 d . . . . .
H44 H 0.537808 0.188562 0.960635 0.038 Uiso 1 1 calc R U . . .
C45 C 0.58554(18) 0.16375(19) 0.8371(3) 0.0259(8) Uani 1 1 d . . . . .
H45 H 0.622587 0.183753 0.867465 0.031 Uiso 1 1 calc R U . . .
C46 C 0.50758(18) 0.33318(19) 0.6183(4) 0.0317(9) Uani 1 1 d . . . . .
C47 C 0.5200(2) 0.3951(2) 0.6006(5) 0.0406(11) Uani 1 1 d . . . . .
H47 H 0.512432 0.411922 0.527889 0.049 Uiso 1 1 calc R U . . .
C48 C 0.5434(2) 0.4321(3) 0.6899(6) 0.0558(15) Uani 1 1 d . . . . .
H48 H 0.551941 0.474330 0.678505 0.067 Uiso 1 1 calc R U . . .
C49 C 0.5540(3) 0.4076(3) 0.7941(6) 0.069(2) Uani 1 1 d . . . . .
H49 H 0.570507 0.433103 0.854482 0.082 Uiso 1 1 calc R U . . .
C50 C 0.5412(3) 0.3459(3) 0.8141(5) 0.0636(18) Uani 1 1 d . . . . .
H50 H 0.548314 0.329885 0.887433 0.076 Uiso 1 1 calc R U . . .
C51 C 0.5177(2) 0.3080(3) 0.7251(4) 0.0446(12) Uani 1 1 d . . . . .
H51 H 0.508850 0.265884 0.737016 0.054 Uiso 1 1 calc R U . . .
C52 C 0.45404(18) 0.33084(17) 0.3864(4) 0.0284(8) Uani 1 1 d . . . . .
C53 C 0.4756(3) 0.3275(3) 0.2857(4) 0.0563(15) Uani 1 1 d . . . . .
H53 H 0.507897 0.299672 0.276878 0.068 Uiso 1 1 calc R U . . .
C54 C 0.4508(4) 0.3640(3) 0.1974(5) 0.069(2) Uani 1 1 d . . . . .
H54 H 0.466200 0.361532 0.128557 0.083 Uiso 1 1 calc R U . . .
C55 C 0.4036(2) 0.4042(2) 0.2099(4) 0.0467(12) Uani 1 1 d . . . . .
H55 H 0.386272 0.429256 0.149425 0.056 Uiso 1 1 calc R U . . .
C56 C 0.3820(2) 0.40776(19) 0.3082(4) 0.0366(10) Uani 1 1 d . . . . .
H56 H 0.349500 0.435535 0.316157 0.044 Uiso 1 1 calc R U . . .
C57 C 0.40650(19) 0.37147(18) 0.3977(4) 0.0339(9) Uani 1 1 d . . . . .
H57 H 0.390877 0.374397 0.466195 0.041 Uiso 1 1 calc R U . . .
C58 C 0.42649(17) 0.23132(17) 0.5334(3) 0.0256(8) Uani 1 1 d . . . . .
C59 C 0.3890(2) 0.2473(2) 0.6125(4) 0.0346(9) Uani 1 1 d . . . . .
H59 H 0.395829 0.285009 0.652253 0.042 Uiso 1 1 calc R U . . .
C60 C 0.3421(2) 0.2088(2) 0.6331(4) 0.0391(10) Uani 1 1 d . . . . .
H60 H 0.316441 0.220183 0.686054 0.047 Uiso 1 1 calc R U . . .
C61 C 0.3325(2) 0.1535(2) 0.5766(4) 0.0379(10) Uani 1 1 d . . . . .
H61 H 0.300878 0.126449 0.592037 0.045 Uiso 1 1 calc R U . . .
C62 C 0.36907(19) 0.13743(19) 0.4974(4) 0.0314(9) Uani 1 1 d . . . . .
H62 H 0.362090 0.099579 0.458321 0.038 Uiso 1 1 calc R U . . .
C63 C 0.41574(18) 0.17633(17) 0.4749(3) 0.0271(8) Uani 1 1 d . . . . .
H63 H 0.440253 0.165500 0.419729 0.033 Uiso 1 1 calc R U . . .
Cl1S Cl 0.60005(6) 0.49120(5) 0.43099(11) 0.0501(3) Uani 1 1 d D U . . .
C1S C 0.6076(3) 0.5025(3) 0.2895(5) 0.0550(7) Uani 1 1 d D U . . .
H1SC H 0.611969 0.461812 0.254527 0.066 Uiso 0.485(8) 1 calc R U P A 2
H1SD H 0.569653 0.521934 0.251286 0.066 Uiso 0.485(8) 1 calc R U P A 2
H1SA H 0.641785 0.476013 0.272964 0.066 Uiso 0.515(8) 1 calc R U P A 1
H1SB H 0.569703 0.486692 0.244608 0.066 Uiso 0.515(8) 1 calc R U P A 1
Cl2S Cl 0.6845(2) 0.5937(3) 0.3290(4) 0.0527(7) Uani 0.515(8) 1 d D U P A 1
C2SA C 0.6176(5) 0.5594(5) 0.2529(9) 0.0536(7) Uani 0.515(8) 1 d D U P A 1
H2SA H 0.581490 0.585672 0.259537 0.064 Uiso 0.515(8) 1 calc R U P A 1
H2SB H 0.622407 0.557358 0.173399 0.064 Uiso 0.515(8) 1 calc R U P A 1
Cl3S Cl 0.6796(2) 0.6102(2) 0.3545(4) 0.0490(7) Uani 0.485(8) 1 d D U P A 2
C2SB C 0.6623(5) 0.5426(5) 0.2732(10) 0.0536(7) Uani 0.485(8) 1 d D U P A 2
H2SC H 0.656596 0.555356 0.194379 0.064 Uiso 0.485(8) 1 calc R U P A 2
H2SD H 0.699174 0.515927 0.285005 0.064 Uiso 0.485(8) 1 calc R U P A 2
F1 F 0.82225(14) -0.09771(13) 0.5316(2) 0.0460(6) Uani 1 1 d D U . . .
B01V B 0.8296(3) -0.0543(3) 0.4522(5) 0.0540(6) Uani 1 1 d D U . . .
F2 F 0.8957(2) -0.0624(3) 0.4391(4) 0.0560(8) Uani 0.605(4) 1 d D U P B 1
F3 F 0.8318(3) 0.0040(2) 0.4931(4) 0.0585(8) Uani 0.605(4) 1 d D U P B 1
F4 F 0.8016(3) -0.0713(3) 0.3538(5) 0.0575(8) Uani 0.605(4) 1 d D U P B 1
F2A F 0.8741(4) -0.0141(4) 0.4781(7) 0.0583(8) Uani 0.395(4) 1 d D U P B 2
F3A F 0.7703(4) -0.0214(4) 0.4432(7) 0.0571(8) Uani 0.395(4) 1 d D U P B 2
F4A F 0.8252(5) -0.0789(5) 0.3430(7) 0.0558(9) Uani 0.395(4) 1 d D U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl2 2.3619(8) . ?
Os1 P1 2.3931(8) . ?
Os1 P2 2.3830(8) . ?
Os1 N1 2.098(3) . ?
Os1 C1 1.841(4) . ?
Os1 C9 2.102(4) . ?
Cl1 C8 1.754(4) . ?
P1 C10 1.820(4) . ?
P1 C16 1.837(4) . ?
P1 C22 1.818(4) . ?
P2 C28 1.828(3) . ?
P2 C34 1.818(4) . ?
P2 C40 1.831(4) . ?
P3 C2 1.763(4) . ?
P3 C46 1.804(4) . ?
P3 C52 1.800(4) . ?
P3 C58 1.789(4) . ?
N1 C3 1.354(5) . ?
N1 C7 1.359(5) . ?
C1 C2 1.381(5) . ?
C2 C3 1.461(5) . ?
C3 C4 1.405(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.389(5) . ?
C7 C8 1.445(5) . ?
C8 C9 1.334(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.400(5) . ?
C10 C15 1.392(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.378(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.392(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.394(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.398(5) . ?
C16 C21 1.386(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.378(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.400(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.396(6) . ?
C22 C27 1.399(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.395(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.388(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(5) . ?
C28 C33 1.406(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.385(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.390(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.389(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.383(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(6) . ?
C34 C39 1.397(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.393(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.383(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.381(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.404(5) . ?
C40 C45 1.397(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.389(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.386(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.394(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.381(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.393(7) . ?
C46 C51 1.399(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.389(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.364(10) . ?
C49 H49 0.9500 . ?
C49 C50 1.394(11) . ?
C50 H50 0.9500 . ?
C50 C51 1.398(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.381(7) . ?
C52 C57 1.390(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.383(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.381(8) . ?
C55 H55 0.9500 . ?
C55 C56 1.354(8) . ?
C56 H56 0.9500 . ?
C56 C57 1.388(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.401(6) . ?
C58 C63 1.392(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.378(7) . ?
C60 H60 0.9500 . ?
C60 C61 1.384(7) . ?
C61 H61 0.9500 . ?
C61 C62 1.387(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.387(6) . ?
C63 H63 0.9500 . ?
Cl1S C1S 1.772(6) . ?
C1S H1SC 0.9900 . ?
C1S H1SD 0.9900 . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2SA 1.342(12) . ?
C1S C2SB 1.521(12) . ?
Cl2S C2SA 1.785(10) . ?
C2SA H2SA 0.9900 . ?
C2SA H2SB 0.9900 . ?
Cl3S C2SB 1.779(11) . ?
C2SB H2SC 0.9900 . ?
C2SB H2SD 0.9900 . ?
F1 B01V 1.375(6) . ?
B01V F2 1.496(8) . ?
B01V F3 1.357(7) . ?
B01V F4 1.319(8) . ?
B01V F2A 1.315(9) . ?
B01V F3A 1.478(9) . ?
B01V F4A 1.424(9) . ?

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
Cl2 Os1 P1 87.59(3) . . ?
Cl2 Os1 P2 87.39(3) . . ?
P2 Os1 P1 174.90(3) . . ?
N1 Os1 Cl2 177.46(8) . . ?
N1 Os1 P1 92.98(8) . . ?
N1 Os1 P2 91.99(8) . . ?
N1 Os1 C9 74.42(13) . . ?
C1 Os1 Cl2 108.85(11) . . ?
C1 Os1 P1 92.18(11) . . ?
C1 Os1 P2 90.32(11) . . ?
C1 Os1 N1 73.61(13) . . ?
C1 Os1 C9 148.01(14) . . ?
C9 Os1 Cl2 103.11(10) . . ?
C9 Os1 P1 90.39(9) . . ?
C9 Os1 P2 89.83(9) . . ?
C10 P1 Os1 118.56(11) . . ?
C10 P1 C16 102.20(16) . . ?
C16 P1 Os1 111.02(11) . . ?
C22 P1 Os1 114.99(11) . . ?
C22 P1 C10 101.51(17) . . ?
C22 P1 C16 107.18(17) . . ?
C28 P2 Os1 118.62(11) . . ?
C28 P2 C40 103.65(16) . . ?
C34 P2 Os1 112.24(11) . . ?
C34 P2 C28 102.92(16) . . ?
C34 P2 C40 103.99(16) . . ?
C40 P2 Os1 113.83(12) . . ?
C2 P3 C46 109.60(17) . . ?
C2 P3 C52 111.95(19) . . ?
C2 P3 C58 109.71(18) . . ?
C52 P3 C46 107.10(19) . . ?
C58 P3 C46 109.4(2) . . ?
C58 P3 C52 109.05(18) . . ?
C3 N1 Os1 118.4(2) . . ?
C3 N1 C7 121.4(3) . . ?
C7 N1 Os1 120.2(2) . . ?
C2 C1 Os1 129.2(3) . . ?
C1 C2 P3 125.8(3) . . ?
C1 C2 C3 107.7(3) . . ?
C3 C2 P3 125.9(3) . . ?
N1 C3 C2 111.1(3) . . ?
N1 C3 C4 119.5(3) . . ?
C4 C3 C2 129.4(3) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.7(4) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 120.6 . . ?
C5 C6 C7 118.8(4) . . ?
C7 C6 H6 120.6 . . ?
N1 C7 C6 120.5(3) . . ?
N1 C7 C8 110.8(3) . . ?
C6 C7 C8 128.7(4) . . ?
C7 C8 Cl1 117.5(3) . . ?
C9 C8 Cl1 125.2(3) . . ?
C9 C8 C7 117.3(3) . . ?
Os1 C9 H9 121.3 . . ?
C8 C9 Os1 117.4(3) . . ?
C8 C9 H9 121.3 . . ?
C11 C10 P1 118.6(3) . . ?
C15 C10 P1 121.6(3) . . ?
C15 C10 C11 119.5(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(3) . . ?
C15 C14 H14 120.0 . . ?
C10 C15 C14 119.9(3) . . ?
C10 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 P1 116.6(3) . . ?
C21 C16 P1 124.8(3) . . ?
C21 C16 C17 118.6(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.7(4) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(4) . . ?
C21 C20 H20 120.0 . . ?
C16 C21 C20 120.6(4) . . ?
C16 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 P1 121.7(3) . . ?
C23 C22 C27 118.4(3) . . ?
C27 C22 P1 119.7(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.2(4) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.6(4) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.5(4) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 H27 119.7 . . ?
C26 C27 C22 120.6(4) . . ?
C26 C27 H27 119.7 . . ?
C29 C28 P2 122.2(3) . . ?
C29 C28 C33 118.8(3) . . ?
C33 C28 P2 119.0(3) . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.7(3) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.3(4) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.2 . . ?
C32 C31 C30 119.6(3) . . ?
C32 C31 H31 120.2 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.2(3) . . ?
C33 C32 H32 119.9 . . ?
C28 C33 H33 119.8 . . ?
C32 C33 C28 120.4(4) . . ?
C32 C33 H33 119.8 . . ?
C35 C34 P2 121.7(3) . . ?
C35 C34 C39 119.2(3) . . ?
C39 C34 P2 119.1(3) . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.3(4) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.9(4) . . ?
C37 C36 H36 120.1 . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(4) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 120.2 . . ?
C37 C38 C39 119.5(4) . . ?
C39 C38 H38 120.2 . . ?
C34 C39 H39 119.7 . . ?
C38 C39 C34 120.6(4) . . ?
C38 C39 H39 119.7 . . ?
C41 C40 P2 120.1(3) . . ?
C45 C40 P2 121.2(3) . . ?
C45 C40 C41 118.7(3) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0(3) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.7(4) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 120.3 . . ?
C42 C43 C44 119.4(4) . . ?
C44 C43 H43 120.3 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.3(4) . . ?
C45 C44 H44 119.8 . . ?
C40 C45 H45 119.6 . . ?
C44 C45 C40 120.8(4) . . ?
C44 C45 H45 119.6 . . ?
C47 C46 P3 119.9(4) . . ?
C47 C46 C51 120.8(4) . . ?
C51 C46 P3 119.1(3) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 C46 119.6(5) . . ?
C48 C47 H47 120.2 . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.9(6) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.2 . . ?
C48 C49 C50 121.6(5) . . ?
C50 C49 H49 119.2 . . ?
C49 C50 H50 120.4 . . ?
C49 C50 C51 119.3(6) . . ?
C51 C50 H50 120.4 . . ?
C46 C51 H51 120.5 . . ?
C50 C51 C46 118.9(6) . . ?
C50 C51 H51 120.5 . . ?
C53 C52 P3 121.5(3) . . ?
C53 C52 C57 118.8(4) . . ?
C57 C52 P3 119.7(3) . . ?
C52 C53 H53 119.5 . . ?
C52 C53 C54 120.9(5) . . ?
C54 C53 H53 119.5 . . ?
C53 C54 H54 120.2 . . ?
C55 C54 C53 119.6(5) . . ?
C55 C54 H54 120.2 . . ?
C54 C55 H55 120.0 . . ?
C56 C55 C54 120.1(5) . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 119.5 . . ?
C55 C56 C57 121.0(4) . . ?
C57 C56 H56 119.5 . . ?
C52 C57 H57 120.2 . . ?
C56 C57 C52 119.7(4) . . ?
C56 C57 H57 120.2 . . ?
C59 C58 P3 120.6(3) . . ?
C63 C58 P3 119.9(3) . . ?
C63 C58 C59 119.4(4) . . ?
C58 C59 H59 119.8 . . ?
C60 C59 C58 120.4(4) . . ?
C60 C59 H59 119.8 . . ?
C59 C60 H60 120.0 . . ?
C59 C60 C61 120.0(4) . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C62 120.1(4) . . ?
C62 C61 H61 120.0 . . ?
C61 C62 H62 119.8 . . ?
C61 C62 C63 120.4(4) . . ?
C63 C62 H62 119.8 . . ?
C58 C63 H63 120.2 . . ?
C62 C63 C58 119.7(4) . . ?
C62 C63 H63 120.2 . . ?
Cl1S C1S H1SC 108.9 . . ?
Cl1S C1S H1SD 108.9 . . ?
Cl1S C1S H1SA 107.4 . . ?
Cl1S C1S H1SB 107.4 . . ?
H1SC C1S H1SD 107.8 . . ?
H1SA C1S H1SB 107.0 . . ?
C2SA C1S Cl1S 119.6(6) . . ?
C2SA C1S H1SA 107.4 . . ?
C2SA C1S H1SB 107.4 . . ?
C2SB C1S Cl1S 113.2(6) . . ?
C2SB C1S H1SC 108.9 . . ?
C2SB C1S H1SD 108.9 . . ?
C1S C2SA Cl2S 111.9(7) . . ?
C1S C2SA H2SA 109.2 . . ?
C1S C2SA H2SB 109.2 . . ?
Cl2S C2SA H2SA 109.2 . . ?
Cl2S C2SA H2SB 109.2 . . ?
H2SA C2SA H2SB 107.9 . . ?
C1S C2SB Cl3S 120.5(7) . . ?
C1S C2SB H2SC 107.2 . . ?
C1S C2SB H2SD 107.2 . . ?
Cl3S C2SB H2SC 107.2 . . ?
Cl3S C2SB H2SD 107.2 . . ?
H2SC C2SB H2SD 106.8 . . ?
F1 B01V F2 102.2(4) . . ?
F1 B01V F3A 101.0(5) . . ?
F1 B01V F4A 113.7(6) . . ?
F3 B01V F1 112.4(5) . . ?
F3 B01V F2 99.5(5) . . ?
F4 B01V F1 111.2(5) . . ?
F4 B01V F2 101.8(5) . . ?
F4 B01V F3 125.5(6) . . ?
F2A B01V F1 116.4(6) . . ?
F2A B01V F3A 108.4(7) . . ?
F2A B01V F4A 114.8(7) . . ?
F4A B01V F3A 99.9(6) . . ?

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 C10 C11 160.5(2) . . . . ?
Os1 P1 C10 C15 -26.1(3) . . . . ?
Os1 P1 C16 C17 -63.3(3) . . . . ?
Os1 P1 C16 C21 115.2(3) . . . . ?
Os1 P1 C22 C23 112.2(3) . . . . ?
Os1 P1 C22 C27 -64.3(3) . . . . ?
Os1 P2 C28 C29 12.1(3) . . . . ?
Os1 P2 C28 C33 -169.5(2) . . . . ?
Os1 P2 C34 C35 -99.7(3) . . . . ?
Os1 P2 C34 C39 76.9(3) . . . . ?
Os1 P2 C40 C41 35.3(3) . . . . ?
Os1 P2 C40 C45 -145.7(3) . . . . ?
Os1 N1 C3 C2 0.5(4) . . . . ?
Os1 N1 C3 C4 -178.2(3) . . . . ?
Os1 N1 C7 C6 178.9(3) . . . . ?
Os1 N1 C7 C8 0.0(4) . . . . ?
Os1 C1 C2 P3 -171.9(2) . . . . ?
Os1 C1 C2 C3 -0.1(5) . . . . ?
Cl1 C8 C9 Os1 177.7(2) . . . . ?
Cl2 Os1 C1 C2 179.6(3) . . . . ?
P1 Os1 C1 C2 -92.2(3) . . . . ?
P1 C10 C11 C12 173.1(3) . . . . ?
P1 C10 C15 C14 -173.0(3) . . . . ?
P1 C16 C17 C18 179.6(3) . . . . ?
P1 C16 C21 C20 -177.7(3) . . . . ?
P1 C22 C23 C24 -177.9(3) . . . . ?
P1 C22 C27 C26 179.1(3) . . . . ?
P2 Os1 C1 C2 92.3(3) . . . . ?
P2 C28 C29 C30 178.4(3) . . . . ?
P2 C28 C33 C32 -177.8(3) . . . . ?
P2 C34 C35 C36 179.1(3) . . . . ?
P2 C34 C39 C38 -179.5(3) . . . . ?
P2 C40 C41 C42 179.4(3) . . . . ?
P2 C40 C45 C44 179.7(3) . . . . ?
P3 C2 C3 N1 171.5(3) . . . . ?
P3 C2 C3 C4 -10.0(6) . . . . ?
P3 C46 C47 C48 -173.4(4) . . . . ?
P3 C46 C51 C50 173.6(4) . . . . ?
P3 C52 C53 C54 179.1(6) . . . . ?
P3 C52 C57 C56 -179.0(3) . . . . ?
P3 C58 C59 C60 177.0(3) . . . . ?
P3 C58 C63 C62 -178.0(3) . . . . ?
N1 Os1 C1 C2 0.3(3) . . . . ?
N1 C3 C4 C5 -1.9(6) . . . . ?
N1 C7 C8 Cl1 -178.3(2) . . . . ?
N1 C7 C8 C9 0.8(5) . . . . ?
C1 C2 C3 N1 -0.2(4) . . . . ?
C1 C2 C3 C4 178.2(4) . . . . ?
C2 P3 C46 C47 99.0(3) . . . . ?
C2 P3 C46 C51 -75.3(4) . . . . ?
C2 P3 C52 C53 6.6(5) . . . . ?
C2 P3 C52 C57 -174.7(3) . . . . ?
C2 P3 C58 C59 144.8(3) . . . . ?
C2 P3 C58 C63 -38.8(4) . . . . ?
C2 C3 C4 C5 179.7(4) . . . . ?
C3 N1 C7 C6 -2.2(5) . . . . ?
C3 N1 C7 C8 178.9(3) . . . . ?
C3 C4 C5 C6 0.3(6) . . . . ?
C4 C5 C6 C7 0.3(6) . . . . ?
C5 C6 C7 N1 0.6(6) . . . . ?
C5 C6 C7 C8 179.2(4) . . . . ?
C6 C7 C8 Cl1 3.0(5) . . . . ?
C6 C7 C8 C9 -178.0(4) . . . . ?
C7 N1 C3 C2 -178.5(3) . . . . ?
C7 N1 C3 C4 2.8(5) . . . . ?
C7 C8 C9 Os1 -1.2(4) . . . . ?
C9 Os1 C1 C2 2.0(5) . . . . ?
C10 P1 C16 C17 64.1(3) . . . . ?
C10 P1 C16 C21 -117.4(3) . . . . ?
C10 P1 C22 C23 -17.1(3) . . . . ?
C10 P1 C22 C27 166.5(3) . . . . ?
C10 C11 C12 C13 0.1(6) . . . . ?
C11 C10 C15 C14 0.3(5) . . . . ?
C11 C12 C13 C14 0.4(6) . . . . ?
C12 C13 C14 C15 -0.5(6) . . . . ?
C13 C14 C15 C10 0.1(6) . . . . ?
C15 C10 C11 C12 -0.4(5) . . . . ?
C16 P1 C10 C11 38.1(3) . . . . ?
C16 P1 C10 C15 -148.5(3) . . . . ?
C16 P1 C22 C23 -123.8(3) . . . . ?
C16 P1 C22 C27 59.7(3) . . . . ?
C16 C17 C18 C19 -1.8(6) . . . . ?
C17 C16 C21 C20 0.8(5) . . . . ?
C17 C18 C19 C20 0.8(6) . . . . ?
C18 C19 C20 C21 1.0(6) . . . . ?
C19 C20 C21 C16 -1.8(6) . . . . ?
C21 C16 C17 C18 1.0(5) . . . . ?
C22 P1 C10 C11 -72.5(3) . . . . ?
C22 P1 C10 C15 100.9(3) . . . . ?
C22 P1 C16 C17 170.4(3) . . . . ?
C22 P1 C16 C21 -11.1(4) . . . . ?
C22 C23 C24 C25 -1.0(6) . . . . ?
C23 C22 C27 C26 2.5(5) . . . . ?
C23 C24 C25 C26 2.3(6) . . . . ?
C24 C25 C26 C27 -1.1(6) . . . . ?
C25 C26 C27 C22 -1.3(6) . . . . ?
C27 C22 C23 C24 -1.3(5) . . . . ?
C28 P2 C34 C35 29.0(3) . . . . ?
C28 P2 C34 C39 -154.5(3) . . . . ?
C28 P2 C40 C41 -94.9(3) . . . . ?
C28 P2 C40 C45 84.0(3) . . . . ?
C28 C29 C30 C31 -0.1(6) . . . . ?
C29 C28 C33 C32 0.7(5) . . . . ?
C29 C30 C31 C32 -0.4(6) . . . . ?
C30 C31 C32 C33 1.0(6) . . . . ?
C31 C32 C33 C28 -1.2(6) . . . . ?
C33 C28 C29 C30 -0.1(5) . . . . ?
C34 P2 C28 C29 -112.5(3) . . . . ?
C34 P2 C28 C33 66.0(3) . . . . ?
C34 P2 C40 C41 157.8(3) . . . . ?
C34 P2 C40 C45 -23.3(3) . . . . ?
C34 C35 C36 C37 -0.1(7) . . . . ?
C35 C34 C39 C38 -2.9(6) . . . . ?
C35 C36 C37 C38 -2.2(7) . . . . ?
C36 C37 C38 C39 1.9(6) . . . . ?
C37 C38 C39 C34 0.6(6) . . . . ?
C39 C34 C35 C36 2.6(6) . . . . ?
C40 P2 C28 C29 139.4(3) . . . . ?
C40 P2 C28 C33 -42.1(3) . . . . ?
C40 P2 C34 C35 136.8(3) . . . . ?
C40 P2 C34 C39 -46.6(3) . . . . ?
C40 C41 C42 C43 0.9(6) . . . . ?
C41 C40 C45 C44 -1.4(6) . . . . ?
C41 C42 C43 C44 -1.4(6) . . . . ?
C42 C43 C44 C45 0.5(6) . . . . ?
C43 C44 C45 C40 0.9(6) . . . . ?
C45 C40 C41 C42 0.5(5) . . . . ?
C46 P3 C2 C1 119.1(3) . . . . ?
C46 P3 C2 C3 -51.2(4) . . . . ?
C46 P3 C52 C53 126.8(4) . . . . ?
C46 P3 C52 C57 -54.5(4) . . . . ?
C46 P3 C58 C59 24.6(4) . . . . ?
C46 P3 C58 C63 -159.0(3) . . . . ?
C46 C47 C48 C49 -0.1(7) . . . . ?
C47 C46 C51 C50 -0.7(7) . . . . ?
C47 C48 C49 C50 -0.8(8) . . . . ?
C48 C49 C50 C51 1.0(8) . . . . ?
C49 C50 C51 C46 -0.2(7) . . . . ?
C51 C46 C47 C48 0.8(6) . . . . ?
C52 P3 C2 C1 -122.2(3) . . . . ?
C52 P3 C2 C3 67.5(4) . . . . ?
C52 P3 C46 C47 -22.7(4) . . . . ?
C52 P3 C46 C51 163.1(3) . . . . ?
C52 P3 C58 C59 -92.2(3) . . . . ?
C52 P3 C58 C63 84.1(3) . . . . ?
C52 C53 C54 C55 -0.4(11) . . . . ?
C53 C52 C57 C56 -0.2(7) . . . . ?
C53 C54 C55 C56 0.3(10) . . . . ?
C54 C55 C56 C57 -0.1(8) . . . . ?
C55 C56 C57 C52 0.1(7) . . . . ?
C57 C52 C53 C54 0.4(9) . . . . ?
C58 P3 C2 C1 -1.0(4) . . . . ?
C58 P3 C2 C3 -171.3(3) . . . . ?
C58 P3 C46 C47 -140.7(3) . . . . ?
C58 P3 C46 C51 45.0(4) . . . . ?
C58 P3 C52 C53 -115.0(4) . . . . ?
C58 P3 C52 C57 63.7(4) . . . . ?
C58 C59 C60 C61 0.9(7) . . . . ?
C59 C58 C63 C62 -1.6(6) . . . . ?
C59 C60 C61 C62 -1.5(7) . . . . ?
C60 C61 C62 C63 0.5(6) . . . . ?
C61 C62 C63 C58 1.0(6) . . . . ?
C63 C58 C59 C60 0.6(6) . . . . ?
Cl1S C1S C2SA Cl2S 56.5(9) . . . . ?
Cl1S C1S C2SB Cl3S -42.4(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_11d
_database_code_depnum_ccdc_archive 'CCDC 2314893'
loop_
_audit_author_name
_audit_author_address
'Complex Elevend'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-03-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H52 Br Cl2 N Os P3 S, C2 H4 Cl2, B F4'
_chemical_formula_sum            'C71 H56 B Br Cl4 F4 N Os P3 S'
_chemical_formula_weight         1546.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.0004(13)
_cell_length_b                   11.4627(15)
_cell_length_c                   27.876(4)
_cell_angle_alpha                101.832(5)
_cell_angle_beta                 93.282(5)
_cell_angle_gamma                91.924(5)
_cell_volume                     3119.1(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9440
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      71.73
_cell_measurement_theta_min      3.94
_shelx_estimated_absorpt_T_max   0.513
_shelx_estimated_absorpt_T_min   0.513
_exptl_absorpt_coefficient_mu    7.694
_exptl_absorpt_correction_T_max  0.7535
_exptl_absorpt_correction_T_min  0.5138
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1502 before and 0.0808 after correction. The Ratio of minimum to maximum transmission is 0.6819. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            61603
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.391
_diffrn_reflns_theta_min         3.246
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11449
_reflns_number_total             11830
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.542
_refine_diff_density_min         -1.723
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     831
_refine_ls_number_reflns         11830
_refine_ls_number_restraints     152
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0356
_refine_ls_restrained_S_all      1.066
_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)+(0.0482P)²+11.0043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0943
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 Cl2S-C2SB \\sim Cl3-C2SA
 with sigma of 0.02
 C1S-C2SB \\sim C1S-C2SA
 with sigma of 0.02
 Cl2S-C1S \\sim Cl3-C1S
 with sigma of 0.04
 Cl2S-C2SB \\sim Cl3-C2SA \\sim Cl1S-C1S
 with sigma of 0.02
 C2SA-C1S \\sim C2SB-C1S
 with sigma of 0.02
 F4-B02E \\sim F2A-B02E
 with sigma of 0.02
 F3-B02E \\sim F4A-B02E
 with sigma of 0.02
 F2-B02E \\sim F3A-B02E
 with sigma of 0.02
 F3-B02E \\sim F4A-B02E \\sim F4-B02E \\sim F2A-B02E \\sim F2-B02E \\sim
F3A-B02E \\sim F1-B02E
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl1S \\sim Cl2S \\sim Cl3 \\sim C1S \\sim C2SA \\sim C2SB: within 2A with sigma
of 0.001 and sigma for terminal atoms of 0.002
F1 \\sim F2 \\sim F2A \\sim F3 \\sim F3A \\sim F4 \\sim F4A \\sim B02E: within
2A with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Others
 Sof(Cl3)=Sof(H1Sc)=Sof(H1Sd)=Sof(C2SA)=Sof(H2Sc)=Sof(H2Sd)=1-FVAR(1)
 Sof(Cl2S)=Sof(H1Sa)=Sof(H1Sb)=Sof(C2SB)=Sof(H2Sa)=Sof(H2Sb)=FVAR(1)
 Sof(F2A)=Sof(F3A)=Sof(F4A)=1-FVAR(2)
 Sof(F2)=Sof(F3)=Sof(F4)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C1S(H1Sa,H1Sb), C1S(H1Sc,H1Sd), C2SA(H2Sc,H2Sd), C2SB(H2Sa,H2Sb)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C10(H10), C13(H13), 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), C33(H33), C35(H35),
 C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42), C43(H43), C44(H44),
  C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C53(H53),
 C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60), C61(H61), C62(H62),
  C63(H63), C65(H65), C66(H66), C67(H67), C68(H68), C69(H69)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.60356(2) 0.41472(2) 0.68863(2) 0.00823(6) Uani 1 1 d . . . . .
Br1 Br 0.85675(4) 0.04504(4) 0.44928(2) 0.02911(11) Uani 1 1 d . . . . .
Cl1 Cl 0.18563(8) 0.42411(8) 0.60501(3) 0.01851(18) Uani 1 1 d . . . . .
Cl2 Cl 0.84467(7) 0.39086(7) 0.69193(3) 0.01266(16) Uani 1 1 d . . . . .
S1 S 0.67125(9) 0.17731(8) 0.52612(3) 0.01746(18) Uani 1 1 d . . . . .
P1 P 0.55137(8) 0.21320(8) 0.69752(3) 0.01039(17) Uani 1 1 d . . . . .
P2 P 0.64723(8) 0.60901(8) 0.67150(3) 0.01000(17) Uani 1 1 d . . . . .
P3 P 0.60880(8) 0.54942(8) 0.86101(3) 0.01168(17) Uani 1 1 d . . . . .
N1 N 0.4259(3) 0.4710(3) 0.72485(10) 0.0084(5) Uani 1 1 d . . . . .
C1 C 0.6568(3) 0.4714(3) 0.76364(13) 0.0107(6) Uani 1 1 d . . . . .
H1 H 0.748133 0.470383 0.774950 0.013 Uiso 1 1 calc R . . . .
C2 C 0.5648(4) 0.5097(3) 0.79671(13) 0.0129(7) Uani 1 1 d . . . . .
C3 C 0.4291(3) 0.5055(3) 0.77486(13) 0.0118(7) Uani 1 1 d . . . . .
C4 C 0.3111(4) 0.5311(3) 0.79829(14) 0.0153(7) Uani 1 1 d . . . . .
H4 H 0.313310 0.551200 0.833131 0.018 Uiso 1 1 calc R . . . .
C5 C 0.1904(4) 0.5273(3) 0.77084(14) 0.0170(7) Uani 1 1 d . . . . .
H5 H 0.109733 0.543733 0.786885 0.020 Uiso 1 1 calc R . . . .
C6 C 0.1874(4) 0.5000(3) 0.72067(14) 0.0157(7) Uani 1 1 d . . . . .
H6 H 0.106094 0.501362 0.701453 0.019 Uiso 1 1 calc R . . . .
C7 C 0.3063(3) 0.4701(3) 0.69833(13) 0.0105(6) Uani 1 1 d . . . . .
C8 C 0.3214(3) 0.4314(3) 0.64766(13) 0.0122(7) Uani 1 1 d . . . . .
C9 C 0.4433(3) 0.3951(3) 0.63584(12) 0.0108(6) Uani 1 1 d . . . . .
C10 C 0.5028(4) 0.3420(3) 0.59237(14) 0.0150(7) Uani 1 1 d . . . . .
H10 H 0.463594 0.316770 0.559863 0.018 Uiso 1 1 calc R . . . .
C11 C 0.6305(3) 0.3369(3) 0.60978(12) 0.0115(7) Uani 1 1 d . . . . .
C12 C 0.7323(4) 0.2831(3) 0.57794(14) 0.0147(7) Uani 1 1 d . . . . .
C13 C 0.8693(4) 0.2986(3) 0.57795(14) 0.0170(7) Uani 1 1 d . . . . .
H13 H 0.921481 0.352538 0.603005 0.020 Uiso 1 1 calc R . . . .
C14 C 0.9253(4) 0.2267(4) 0.53723(15) 0.0194(8) Uani 1 1 d . . . . .
H14 H 1.018344 0.226996 0.531953 0.023 Uiso 1 1 calc R . . . .
C15 C 0.8304(4) 0.1574(4) 0.50664(15) 0.0199(8) Uani 1 1 d . . . . .
C16 C 0.6006(3) 0.0927(3) 0.64842(13) 0.0125(7) Uani 1 1 d . . . . .
C17 C 0.7375(4) 0.0915(3) 0.63973(14) 0.0154(7) Uani 1 1 d . . . . .
H17 H 0.796958 0.154067 0.657311 0.018 Uiso 1 1 calc R . . . .
C18 C 0.7868(4) 0.0002(4) 0.60586(15) 0.0191(8) Uani 1 1 d . . . . .
H18 H 0.879982 -0.000492 0.600826 0.023 Uiso 1 1 calc R . . . .
C19 C 0.7002(4) -0.0909(3) 0.57911(15) 0.0195(8) Uani 1 1 d . . . . .
H19 H 0.733455 -0.152813 0.555310 0.023 Uiso 1 1 calc R . . . .
C20 C 0.5642(4) -0.0903(4) 0.58762(15) 0.0203(8) Uani 1 1 d . . . . .
H20 H 0.504992 -0.152305 0.569466 0.024 Uiso 1 1 calc R . . . .
C21 C 0.5141(4) -0.0005(3) 0.62219(15) 0.0185(8) Uani 1 1 d . . . . .
H21 H 0.421498 -0.002082 0.628107 0.022 Uiso 1 1 calc R . . . .
C22 C 0.6265(3) 0.1610(3) 0.75018(13) 0.0130(7) Uani 1 1 d . . . . .
C23 C 0.5672(4) 0.0615(3) 0.76449(15) 0.0189(8) Uani 1 1 d . . . . .
H23 H 0.486391 0.024450 0.747786 0.023 Uiso 1 1 calc R . . . .
C24 C 0.6263(4) 0.0174(4) 0.80290(16) 0.0232(8) Uani 1 1 d . . . . .
H24 H 0.584140 -0.048294 0.812952 0.028 Uiso 1 1 calc R . . . .
C25 C 0.7462(4) 0.0681(4) 0.82686(15) 0.0240(9) Uani 1 1 d . . . . .
H25 H 0.785172 0.038215 0.853536 0.029 Uiso 1 1 calc R . . . .
C26 C 0.8090(4) 0.1631(4) 0.81155(14) 0.0191(8) Uani 1 1 d . . . . .
H26 H 0.893041 0.195879 0.826887 0.023 Uiso 1 1 calc R . . . .
C27 C 0.7491(4) 0.2101(3) 0.77389(13) 0.0149(7) Uani 1 1 d . . . . .
H27 H 0.791691 0.276050 0.764134 0.018 Uiso 1 1 calc R . . . .
C28 C 0.3706(3) 0.1917(3) 0.70270(14) 0.0140(7) Uani 1 1 d . . . . .
C29 C 0.3184(4) 0.2055(3) 0.74876(15) 0.0179(8) Uani 1 1 d . . . . .
H29 H 0.377731 0.219338 0.777405 0.021 Uiso 1 1 calc R . . . .
C30 C 0.1815(4) 0.1992(4) 0.75332(15) 0.0212(8) Uani 1 1 d . . . . .
H30 H 0.148097 0.206899 0.784990 0.025 Uiso 1 1 calc R . . . .
C31 C 0.0925(4) 0.1818(4) 0.71232(17) 0.0215(8) Uani 1 1 d . . . . .
H31 H -0.001437 0.177765 0.715686 0.026 Uiso 1 1 calc R . . . .
C32 C 0.1425(4) 0.1703(3) 0.66610(15) 0.0192(8) Uani 1 1 d . . . . .
H32 H 0.082359 0.159602 0.637750 0.023 Uiso 1 1 calc R . . . .
C33 C 0.2804(4) 0.1744(3) 0.66114(15) 0.0160(7) Uani 1 1 d . . . . .
H33 H 0.313616 0.165409 0.629395 0.019 Uiso 1 1 calc R . . . .
C34 C 0.7193(4) 0.6045(3) 0.61194(13) 0.0134(7) Uani 1 1 d . . . . .
C35 C 0.8579(4) 0.6257(3) 0.61192(14) 0.0157(7) Uani 1 1 d . . . . .
H35 H 0.909643 0.647468 0.642323 0.019 Uiso 1 1 calc R . . . .
C36 C 0.9212(4) 0.6154(4) 0.56830(15) 0.0198(8) Uani 1 1 d . . . . .
H36 H 1.015162 0.631782 0.569005 0.024 Uiso 1 1 calc R . . . .
C37 C 0.8470(4) 0.5813(4) 0.52366(14) 0.0214(8) Uani 1 1 d . . . . .
H37 H 0.890087 0.573402 0.493723 0.026 Uiso 1 1 calc R . . . .
C38 C 0.7094(4) 0.5587(4) 0.52299(14) 0.0216(8) Uani 1 1 d . . . . .
H38 H 0.658467 0.535422 0.492480 0.026 Uiso 1 1 calc R . . . .
C39 C 0.6461(4) 0.5698(3) 0.56651(14) 0.0165(7) Uani 1 1 d . . . . .
H39 H 0.552021 0.553802 0.565562 0.020 Uiso 1 1 calc R . . . .
C40 C 0.4942(4) 0.6934(3) 0.67533(14) 0.0151(7) Uani 1 1 d . . . . .
C41 C 0.4041(4) 0.7004(4) 0.63615(16) 0.0225(8) Uani 1 1 d . . . . .
H41 H 0.423513 0.664079 0.603654 0.027 Uiso 1 1 calc R . . . .
C42 C 0.2852(4) 0.7606(4) 0.64420(19) 0.0293(10) Uani 1 1 d . . . . .
H42 H 0.225305 0.765828 0.617088 0.035 Uiso 1 1 calc R . . . .
C43 C 0.2544(4) 0.8123(4) 0.6912(2) 0.0303(10) Uani 1 1 d . . . . .
H43 H 0.174073 0.853610 0.696431 0.036 Uiso 1 1 calc R . . . .
C44 C 0.3412(4) 0.8035(4) 0.73050(18) 0.0268(9) Uani 1 1 d . . . . .
H44 H 0.319125 0.837178 0.762970 0.032 Uiso 1 1 calc R . . . .
C45 C 0.4605(4) 0.7459(3) 0.72300(15) 0.0186(8) Uani 1 1 d . . . . .
H45 H 0.520060 0.741864 0.750363 0.022 Uiso 1 1 calc R . . . .
C46 C 0.7658(3) 0.7191(3) 0.71048(13) 0.0117(7) Uani 1 1 d . . . . .
C47 C 0.8587(4) 0.6911(3) 0.74491(14) 0.0153(7) Uani 1 1 d . . . . .
H47 H 0.857333 0.613145 0.751675 0.018 Uiso 1 1 calc R . . . .
C48 C 0.9548(4) 0.7787(3) 0.76978(14) 0.0169(7) Uani 1 1 d . . . . .
H48 H 1.016954 0.760223 0.793920 0.020 Uiso 1 1 calc R . . . .
C49 C 0.9591(4) 0.8910(3) 0.75920(14) 0.0174(7) Uani 1 1 d . . . . .
H49 H 1.024419 0.949753 0.775778 0.021 Uiso 1 1 calc R . . . .
C50 C 0.8672(4) 0.9178(3) 0.72415(15) 0.0186(8) Uani 1 1 d . . . . .
H50 H 0.870964 0.994878 0.716518 0.022 Uiso 1 1 calc R . . . .
C51 C 0.7704(4) 0.8335(3) 0.70026(14) 0.0162(7) Uani 1 1 d . . . . .
H51 H 0.706912 0.853386 0.676884 0.019 Uiso 1 1 calc R . . . .
C52 C 0.5781(4) 0.7014(3) 0.88844(13) 0.0148(7) Uani 1 1 d . . . . .
C53 C 0.4898(4) 0.7698(4) 0.86743(14) 0.0177(7) Uani 1 1 d . . . . .
H53 H 0.444478 0.737498 0.836412 0.021 Uiso 1 1 calc R . . . .
C54 C 0.4669(4) 0.8854(4) 0.89136(15) 0.0213(8) Uani 1 1 d . . . . .
H54 H 0.405301 0.931673 0.877006 0.026 Uiso 1 1 calc R . . . .
C55 C 0.5347(4) 0.9331(4) 0.93648(16) 0.0247(9) Uani 1 1 d . . . . .
H55 H 0.519868 1.012494 0.952631 0.030 Uiso 1 1 calc R . . . .
C56 C 0.6238(4) 0.8660(4) 0.95818(15) 0.0236(8) Uani 1 1 d . . . . .
H56 H 0.669476 0.899161 0.989038 0.028 Uiso 1 1 calc R . . . .
C57 C 0.6458(4) 0.7496(4) 0.93441(14) 0.0191(8) Uani 1 1 d . . . . .
H57 H 0.706222 0.702879 0.949089 0.023 Uiso 1 1 calc R . . . .
C58 C 0.5117(3) 0.4532(3) 0.89090(13) 0.0142(7) Uani 1 1 d . . . . .
C59 C 0.4991(4) 0.3310(4) 0.86990(14) 0.0185(8) Uani 1 1 d . . . . .
H59 H 0.547219 0.299217 0.842124 0.022 Uiso 1 1 calc R . . . .
C60 C 0.4158(4) 0.2563(4) 0.88984(15) 0.0223(8) Uani 1 1 d . . . . .
H60 H 0.407152 0.173393 0.875698 0.027 Uiso 1 1 calc R . . . .
C61 C 0.3453(4) 0.3029(4) 0.93047(15) 0.0223(8) Uani 1 1 d . . . . .
H61 H 0.287226 0.251946 0.943639 0.027 Uiso 1 1 calc R . . . .
C62 C 0.3596(4) 0.4236(4) 0.95186(15) 0.0222(8) Uani 1 1 d . . . . .
H62 H 0.312887 0.454563 0.980096 0.027 Uiso 1 1 calc R . . . .
C63 C 0.4419(4) 0.4992(4) 0.93215(14) 0.0182(8) Uani 1 1 d . . . . .
H63 H 0.450773 0.581912 0.946641 0.022 Uiso 1 1 calc R . . . .
C64 C 0.7861(3) 0.5336(4) 0.87142(13) 0.0148(7) Uani 1 1 d . . . . .
C65 C 0.8357(4) 0.4324(4) 0.88515(14) 0.0185(8) Uani 1 1 d . . . . .
H65 H 0.775793 0.370449 0.890050 0.022 Uiso 1 1 calc R . . . .
C66 C 0.9734(4) 0.4227(4) 0.89164(16) 0.0249(9) Uani 1 1 d . . . . .
H66 H 1.008183 0.352629 0.899831 0.030 Uiso 1 1 calc R . . . .
C67 C 1.0601(4) 0.5156(5) 0.88613(15) 0.0266(9) Uani 1 1 d . . . . .
H67 H 1.154106 0.508963 0.891026 0.032 Uiso 1 1 calc R . . . .
C68 C 1.0112(4) 0.6177(4) 0.87360(14) 0.0221(8) Uani 1 1 d . . . . .
H68 H 1.071558 0.681108 0.870478 0.026 Uiso 1 1 calc R . . . .
C69 C 0.8740(4) 0.6275(4) 0.86559(13) 0.0174(7) Uani 1 1 d . . . . .
H69 H 0.839919 0.696622 0.856309 0.021 Uiso 1 1 calc R . . . .
Cl1S Cl 1.03367(12) 0.32163(12) 1.00050(4) 0.0373(3) Uani 1 1 d D U . . .
Cl2S Cl 0.69843(19) 0.24827(17) 0.97388(11) 0.0342(4) Uani 0.761(7) 1 d D U P A
1
Cl3 Cl 0.7145(7) 0.2443(7) 0.9929(3) 0.0387(8) Uani 0.239(7) 1 d D U P A 2
C1S C 0.9532(5) 0.1809(5) 1.0030(2) 0.0392(6) Uani 1 1 d D U . . .
H1SA H 0.953408 0.126539 0.970402 0.047 Uiso 0.761(7) 1 calc R . P A 1
H1SB H 1.003868 0.144153 1.027129 0.047 Uiso 0.761(7) 1 calc R . P A 1
H1SC H 1.019340 0.117988 0.997293 0.047 Uiso 0.239(7) 1 calc R . P A 2
H1SD H 0.920827 0.184813 1.036135 0.047 Uiso 0.239(7) 1 calc R . P A 2
C2SA C 0.8397(15) 0.1487(18) 0.9663(6) 0.0383(6) Uani 0.239(7) 1 d D U P A 2
H2SC H 0.810712 0.063582 0.962106 0.046 Uiso 0.239(7) 1 calc R . P A 2
H2SD H 0.862214 0.165041 0.934088 0.046 Uiso 0.239(7) 1 calc R . P A 2
C2SB C 0.8034(7) 0.1970(7) 1.0180(2) 0.0387(6) Uani 0.761(7) 1 d D U P A 1
H2SA H 0.803723 0.254632 1.049824 0.046 Uiso 0.761(7) 1 calc R . P A 1
H2SB H 0.765525 0.119623 1.022815 0.046 Uiso 0.761(7) 1 calc R . P A 1
F1 F 1.2031(3) 1.0345(3) 0.93076(10) 0.0368(6) Uani 1 1 d D U . . .
F2 F 1.1733(6) 0.9208(7) 0.8530(2) 0.0466(8) Uani 0.513(6) 1 d D U P B 1
F2A F 1.1985(6) 0.9910(7) 0.8473(2) 0.0442(8) Uani 0.487(6) 1 d D U P B 2
F3 F 0.9922(7) 0.9523(7) 0.8996(3) 0.0430(9) Uani 0.513(6) 1 d D U P B 1
F3A F 1.0319(8) 0.9157(7) 0.8889(3) 0.0459(9) Uani 0.487(6) 1 d D U P B 2
F4 F 1.0838(8) 1.1023(7) 0.8703(3) 0.0439(9) Uani 0.513(6) 1 d D U P B 1
F4A F 1.0508(8) 1.1127(7) 0.8861(3) 0.0436(10) Uani 0.487(6) 1 d D U P B 2
B02E B 1.1176(5) 1.0060(5) 0.8884(2) 0.0417(6) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl2 2.4345(8) . ?
Os1 P1 2.4162(9) . ?
Os1 P2 2.4029(9) . ?
Os1 N1 2.147(3) . ?
Os1 C1 2.090(3) . ?
Os1 C9 2.087(3) . ?
Os1 C11 2.231(3) . ?
Br1 C15 1.874(4) . ?
Cl1 C8 1.741(3) . ?
S1 C12 1.750(4) . ?
S1 C15 1.719(4) . ?
P1 C16 1.836(4) . ?
P1 C22 1.828(4) . ?
P1 C28 1.834(4) . ?
P2 C34 1.839(4) . ?
P2 C40 1.835(4) . ?
P2 C46 1.835(4) . ?
P3 C2 1.782(4) . ?
P3 C52 1.797(4) . ?
P3 C58 1.803(4) . ?
P3 C64 1.801(4) . ?
N1 C3 1.367(5) . ?
N1 C7 1.368(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.359(5) . ?
C2 C3 1.451(5) . ?
C3 C4 1.392(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.386(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.368(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.394(5) . ?
C7 C8 1.409(5) . ?
C8 C9 1.338(5) . ?
C9 C10 1.414(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.347(5) . ?
C11 C12 1.459(5) . ?
C12 C13 1.375(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.415(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.356(6) . ?
C16 C17 1.404(5) . ?
C16 C21 1.404(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.394(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.393(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.386(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.407(5) . ?
C22 C27 1.402(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.386(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.392(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.394(5) . ?
C28 C33 1.403(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.392(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.399(5) . ?
C34 C39 1.402(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.389(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.388(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.390(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.392(6) . ?
C40 C45 1.406(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.401(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.378(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.382(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.388(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.389(5) . ?
C46 C51 1.398(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.410(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.378(6) . ?
C49 H49 0.9500 . ?
C49 C50 1.390(6) . ?
C50 H50 0.9500 . ?
C50 C51 1.384(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.384(6) . ?
C52 C57 1.411(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.388(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.391(6) . ?
C55 H55 0.9500 . ?
C55 C56 1.388(6) . ?
C56 H56 0.9500 . ?
C56 C57 1.393(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.402(5) . ?
C58 C63 1.398(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.391(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.390(6) . ?
C61 H61 0.9500 . ?
C61 C62 1.389(6) . ?
C62 H62 0.9500 . ?
C62 C63 1.390(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.391(6) . ?
C64 C69 1.408(5) . ?
C65 H65 0.9500 . ?
C65 C66 1.391(6) . ?
C66 H66 0.9500 . ?
C66 C67 1.389(7) . ?
C67 H67 0.9500 . ?
C67 C68 1.385(7) . ?
C68 H68 0.9500 . ?
C68 C69 1.390(5) . ?
C69 H69 0.9500 . ?
Cl1S C1S 1.795(6) . ?
Cl2S C2SB 1.776(7) . ?
Cl3 C2SA 1.785(15) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S H1SC 0.9900 . ?
C1S H1SD 0.9900 . ?
C1S C2SA 1.467(16) . ?
C1S C2SB 1.585(8) . ?
C2SA H2SC 0.9900 . ?
C2SA H2SD 0.9900 . ?
C2SB H2SA 0.9900 . ?
C2SB H2SB 0.9900 . ?
F1 B02E 1.392(6) . ?
F2 B02E 1.394(8) . ?
F2A B02E 1.426(8) . ?
F3 B02E 1.457(8) . ?
F3A B02E 1.325(8) . ?
F4 B02E 1.350(8) . ?
F4A B02E 1.424(8) . ?

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
P1 Os1 Cl2 93.86(3) . . ?
P2 Os1 Cl2 87.86(3) . . ?
P2 Os1 P1 174.36(3) . . ?
N1 Os1 Cl2 149.93(8) . . ?
N1 Os1 P1 89.31(8) . . ?
N1 Os1 P2 91.89(8) . . ?
N1 Os1 C11 130.25(12) . . ?
C1 Os1 Cl2 77.92(10) . . ?
C1 Os1 P1 92.22(10) . . ?
C1 Os1 P2 93.39(9) . . ?
C1 Os1 N1 72.07(12) . . ?
C1 Os1 C11 157.58(13) . . ?
C9 Os1 Cl2 138.44(10) . . ?
C9 Os1 P1 88.23(10) . . ?
C9 Os1 P2 86.93(10) . . ?
C9 Os1 N1 71.48(12) . . ?
C9 Os1 C1 143.55(14) . . ?
C9 Os1 C11 58.85(13) . . ?
C11 Os1 Cl2 79.81(9) . . ?
C11 Os1 P1 86.65(9) . . ?
C11 Os1 P2 88.36(9) . . ?
C15 S1 C12 91.13(18) . . ?
C16 P1 Os1 116.52(12) . . ?
C22 P1 Os1 119.29(12) . . ?
C22 P1 C16 98.61(16) . . ?
C22 P1 C28 103.66(16) . . ?
C28 P1 Os1 110.00(12) . . ?
C28 P1 C16 107.30(17) . . ?
C34 P2 Os1 113.39(12) . . ?
C40 P2 Os1 110.42(11) . . ?
C40 P2 C34 110.37(17) . . ?
C40 P2 C46 100.40(17) . . ?
C46 P2 Os1 121.94(12) . . ?
C46 P2 C34 99.11(16) . . ?
C2 P3 C52 114.14(18) . . ?
C2 P3 C58 108.16(17) . . ?
C2 P3 C64 108.96(17) . . ?
C52 P3 C58 108.13(17) . . ?
C52 P3 C64 105.99(18) . . ?
C64 P3 C58 111.51(17) . . ?
C3 N1 Os1 120.8(2) . . ?
C3 N1 C7 118.7(3) . . ?
C7 N1 Os1 120.5(2) . . ?
Os1 C1 H1 119.0 . . ?
C2 C1 Os1 122.0(3) . . ?
C2 C1 H1 119.0 . . ?
C1 C2 P3 121.9(3) . . ?
C1 C2 C3 113.6(3) . . ?
C3 C2 P3 124.4(3) . . ?
N1 C3 C2 111.3(3) . . ?
N1 C3 C4 120.3(3) . . ?
C4 C3 C2 128.4(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0(3) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 120.7 . . ?
C5 C6 C7 118.5(3) . . ?
C7 C6 H6 120.7 . . ?
N1 C7 C6 122.2(3) . . ?
N1 C7 C8 111.0(3) . . ?
C6 C7 C8 126.8(3) . . ?
C7 C8 Cl1 120.9(3) . . ?
C9 C8 Cl1 123.7(3) . . ?
C9 C8 C7 115.3(3) . . ?
C8 C9 Os1 121.4(3) . . ?
C8 C9 C10 136.1(3) . . ?
C10 C9 Os1 102.5(2) . . ?
C9 C10 H10 129.7 . . ?
C11 C10 C9 100.7(3) . . ?
C11 C10 H10 129.7 . . ?
C10 C11 Os1 98.0(2) . . ?
C10 C11 C12 121.3(3) . . ?
C12 C11 Os1 140.5(3) . . ?
C11 C12 S1 115.2(3) . . ?
C13 C12 S1 110.1(3) . . ?
C13 C12 C11 134.6(4) . . ?
C12 C13 H13 123.1 . . ?
C12 C13 C14 113.8(4) . . ?
C14 C13 H13 123.1 . . ?
C13 C14 H14 124.0 . . ?
C15 C14 C13 111.9(3) . . ?
C15 C14 H14 124.0 . . ?
S1 C15 Br1 119.6(2) . . ?
C14 C15 Br1 127.4(3) . . ?
C14 C15 S1 113.0(3) . . ?
C17 C16 P1 116.1(3) . . ?
C17 C16 C21 118.9(3) . . ?
C21 C16 P1 124.9(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.8(4) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.1(4) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.3(4) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(4) . . ?
C21 C20 H20 119.5 . . ?
C16 C21 H21 120.1 . . ?
C20 C21 C16 119.8(3) . . ?
C20 C21 H21 120.1 . . ?
C23 C22 P1 119.4(3) . . ?
C27 C22 P1 121.7(3) . . ?
C27 C22 C23 118.6(3) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(4) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.8(4) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.5(4) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.2(4) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 H27 119.7 . . ?
C26 C27 C22 120.5(4) . . ?
C26 C27 H27 119.7 . . ?
C29 C28 P1 120.3(3) . . ?
C29 C28 C33 118.2(3) . . ?
C33 C28 P1 121.0(3) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 120.9(4) . . ?
C30 C29 H29 119.5 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(4) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 120.5 . . ?
C30 C31 C32 119.1(3) . . ?
C32 C31 H31 120.5 . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.4(4) . . ?
C33 C32 H32 119.8 . . ?
C28 C33 H33 119.8 . . ?
C32 C33 C28 120.5(4) . . ?
C32 C33 H33 119.8 . . ?
C35 C34 P2 117.7(3) . . ?
C35 C34 C39 118.1(3) . . ?
C39 C34 P2 123.9(3) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 C34 121.2(4) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.9(4) . . ?
C37 C36 H36 120.1 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.6(4) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.5(4) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.7 . . ?
C38 C39 C34 120.7(4) . . ?
C38 C39 H39 119.7 . . ?
C41 C40 P2 125.9(3) . . ?
C41 C40 C45 118.1(4) . . ?
C45 C40 P2 115.8(3) . . ?
C40 C41 H41 119.7 . . ?
C40 C41 C42 120.6(4) . . ?
C42 C41 H41 119.7 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.5(4) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 120.2 . . ?
C42 C43 C44 119.5(4) . . ?
C44 C43 H43 120.2 . . ?
C43 C44 H44 119.7 . . ?
C43 C44 C45 120.6(4) . . ?
C45 C44 H44 119.7 . . ?
C40 C45 H45 119.7 . . ?
C44 C45 C40 120.7(4) . . ?
C44 C45 H45 119.7 . . ?
C47 C46 P2 123.7(3) . . ?
C47 C46 C51 119.5(3) . . ?
C51 C46 P2 116.4(3) . . ?
C46 C47 H47 120.1 . . ?
C46 C47 C48 119.8(3) . . ?
C48 C47 H47 120.1 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.2(3) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.2 . . ?
C48 C49 C50 119.7(3) . . ?
C50 C49 H49 120.2 . . ?
C49 C50 H50 119.6 . . ?
C51 C50 C49 120.7(4) . . ?
C51 C50 H50 119.6 . . ?
C46 C51 H51 120.0 . . ?
C50 C51 C46 120.1(3) . . ?
C50 C51 H51 120.0 . . ?
C53 C52 P3 123.3(3) . . ?
C53 C52 C57 119.8(4) . . ?
C57 C52 P3 117.0(3) . . ?
C52 C53 H53 119.8 . . ?
C52 C53 C54 120.4(4) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 120.2 . . ?
C53 C54 C55 119.7(4) . . ?
C55 C54 H54 120.2 . . ?
C54 C55 H55 119.6 . . ?
C56 C55 C54 120.8(4) . . ?
C56 C55 H55 119.6 . . ?
C55 C56 H56 120.2 . . ?
C55 C56 C57 119.6(4) . . ?
C57 C56 H56 120.2 . . ?
C52 C57 H57 120.1 . . ?
C56 C57 C52 119.8(4) . . ?
C56 C57 H57 120.1 . . ?
C59 C58 P3 118.6(3) . . ?
C63 C58 P3 121.4(3) . . ?
C63 C58 C59 119.9(3) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.8(4) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 C59 120.0(4) . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 119.9 . . ?
C62 C61 C60 120.2(4) . . ?
C62 C61 H61 119.9 . . ?
C61 C62 H62 119.9 . . ?
C61 C62 C63 120.3(4) . . ?
C63 C62 H62 119.9 . . ?
C58 C63 H63 120.1 . . ?
C62 C63 C58 119.7(4) . . ?
C62 C63 H63 120.1 . . ?
C65 C64 P3 121.5(3) . . ?
C65 C64 C69 120.6(3) . . ?
C69 C64 P3 117.9(3) . . ?
C64 C65 H65 120.2 . . ?
C66 C65 C64 119.5(4) . . ?
C66 C65 H65 120.2 . . ?
C65 C66 H66 120.1 . . ?
C67 C66 C65 119.9(4) . . ?
C67 C66 H66 120.1 . . ?
C66 C67 H67 119.6 . . ?
C68 C67 C66 120.8(4) . . ?
C68 C67 H67 119.6 . . ?
C67 C68 H68 120.0 . . ?
C67 C68 C69 120.1(4) . . ?
C69 C68 H68 120.0 . . ?
C64 C69 H69 120.5 . . ?
C68 C69 C64 119.1(4) . . ?
C68 C69 H69 120.5 . . ?
Cl1S C1S H1SA 109.4 . . ?
Cl1S C1S H1SB 109.4 . . ?
Cl1S C1S H1SC 109.2 . . ?
Cl1S C1S H1SD 109.2 . . ?
H1SA C1S H1SB 108.0 . . ?
H1SC C1S H1SD 107.9 . . ?
C2SA C1S Cl1S 112.1(10) . . ?
C2SA C1S H1SC 109.2 . . ?
C2SA C1S H1SD 109.2 . . ?
C2SB C1S Cl1S 111.0(4) . . ?
C2SB C1S H1SA 109.4 . . ?
C2SB C1S H1SB 109.4 . . ?
Cl3 C2SA H2SC 111.4 . . ?
Cl3 C2SA H2SD 111.4 . . ?
C1S C2SA Cl3 102.0(9) . . ?
C1S C2SA H2SC 111.4 . . ?
C1S C2SA H2SD 111.4 . . ?
H2SC C2SA H2SD 109.2 . . ?
Cl2S C2SB H2SA 108.9 . . ?
Cl2S C2SB H2SB 108.9 . . ?
C1S C2SB Cl2S 113.3(4) . . ?
C1S C2SB H2SA 108.9 . . ?
C1S C2SB H2SB 108.9 . . ?
H2SA C2SB H2SB 107.7 . . ?
F1 B02E F2 110.3(5) . . ?
F1 B02E F2A 107.7(5) . . ?
F1 B02E F3 109.5(5) . . ?
F1 B02E F4A 105.2(5) . . ?
F2 B02E F3 106.5(6) . . ?
F3A B02E F1 112.6(5) . . ?
F3A B02E F2A 115.3(6) . . ?
F3A B02E F4A 111.8(6) . . ?
F4 B02E F1 113.2(5) . . ?
F4 B02E F2 111.1(6) . . ?
F4 B02E F3 105.9(6) . . ?
F4A B02E F2A 103.4(6) . . ?

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 C16 C17 58.1(3) . . . . ?
Os1 P1 C16 C21 -126.6(3) . . . . ?
Os1 P1 C22 C23 160.0(2) . . . . ?
Os1 P1 C22 C27 -26.3(3) . . . . ?
Os1 P1 C28 C29 -95.3(3) . . . . ?
Os1 P1 C28 C33 77.5(3) . . . . ?
Os1 P2 C34 C35 -100.1(3) . . . . ?
Os1 P2 C34 C39 73.4(3) . . . . ?
Os1 P2 C40 C41 -94.5(3) . . . . ?
Os1 P2 C40 C45 79.3(3) . . . . ?
Os1 P2 C46 C47 14.8(4) . . . . ?
Os1 P2 C46 C51 -172.4(2) . . . . ?
Os1 N1 C3 C2 5.9(4) . . . . ?
Os1 N1 C3 C4 -174.0(3) . . . . ?
Os1 N1 C7 C6 176.6(3) . . . . ?
Os1 N1 C7 C8 -1.1(4) . . . . ?
Os1 C1 C2 P3 176.17(18) . . . . ?
Os1 C1 C2 C3 0.7(4) . . . . ?
Os1 C9 C10 C11 -1.4(3) . . . . ?
Os1 C11 C12 S1 149.6(3) . . . . ?
Os1 C11 C12 C13 -33.0(7) . . . . ?
Cl1 C8 C9 Os1 176.87(18) . . . . ?
Cl1 C8 C9 C10 -2.0(6) . . . . ?
S1 C12 C13 C14 -0.2(4) . . . . ?
P1 C16 C17 C18 175.6(3) . . . . ?
P1 C16 C21 C20 -176.5(3) . . . . ?
P1 C22 C23 C24 177.1(3) . . . . ?
P1 C22 C27 C26 -175.3(3) . . . . ?
P1 C28 C29 C30 174.6(3) . . . . ?
P1 C28 C33 C32 -173.4(3) . . . . ?
P2 C34 C35 C36 175.3(3) . . . . ?
P2 C34 C39 C38 -174.4(3) . . . . ?
P2 C40 C41 C42 175.1(3) . . . . ?
P2 C40 C45 C44 -174.7(3) . . . . ?
P2 C46 C47 C48 173.7(3) . . . . ?
P2 C46 C51 C50 -172.7(3) . . . . ?
P3 C2 C3 N1 -179.4(3) . . . . ?
P3 C2 C3 C4 0.5(6) . . . . ?
P3 C52 C53 C54 177.7(3) . . . . ?
P3 C52 C57 C56 -178.4(3) . . . . ?
P3 C58 C59 C60 -174.7(3) . . . . ?
P3 C58 C63 C62 174.9(3) . . . . ?
P3 C64 C65 C66 178.4(3) . . . . ?
P3 C64 C69 C68 179.7(3) . . . . ?
N1 C3 C4 C5 -3.1(5) . . . . ?
N1 C7 C8 Cl1 -178.9(2) . . . . ?
N1 C7 C8 C9 4.9(4) . . . . ?
C1 C2 C3 N1 -4.1(4) . . . . ?
C1 C2 C3 C4 175.8(4) . . . . ?
C2 P3 C52 C53 20.7(4) . . . . ?
C2 P3 C52 C57 -161.3(3) . . . . ?
C2 P3 C58 C59 44.1(3) . . . . ?
C2 P3 C58 C63 -131.3(3) . . . . ?
C2 P3 C64 C65 -98.5(3) . . . . ?
C2 P3 C64 C69 82.0(3) . . . . ?
C2 C3 C4 C5 177.0(4) . . . . ?
C3 N1 C7 C6 -1.8(5) . . . . ?
C3 N1 C7 C8 -179.5(3) . . . . ?
C3 C4 C5 C6 -0.9(6) . . . . ?
C4 C5 C6 C7 3.4(6) . . . . ?
C5 C6 C7 N1 -2.1(5) . . . . ?
C5 C6 C7 C8 175.2(4) . . . . ?
C6 C7 C8 Cl1 3.6(5) . . . . ?
C6 C7 C8 C9 -172.6(4) . . . . ?
C7 N1 C3 C2 -175.7(3) . . . . ?
C7 N1 C3 C4 4.4(5) . . . . ?
C7 C8 C9 Os1 -7.0(4) . . . . ?
C7 C8 C9 C10 174.1(4) . . . . ?
C8 C9 C10 C11 177.6(4) . . . . ?
C9 C10 C11 Os1 1.3(3) . . . . ?
C9 C10 C11 C12 177.6(3) . . . . ?
C10 C11 C12 S1 -24.6(5) . . . . ?
C10 C11 C12 C13 152.8(4) . . . . ?
C11 C12 C13 C14 -177.7(4) . . . . ?
C12 S1 C15 Br1 178.1(2) . . . . ?
C12 S1 C15 C14 -0.2(3) . . . . ?
C12 C13 C14 C15 0.0(5) . . . . ?
C13 C14 C15 Br1 -178.0(3) . . . . ?
C13 C14 C15 S1 0.1(5) . . . . ?
C15 S1 C12 C11 178.3(3) . . . . ?
C15 S1 C12 C13 0.2(3) . . . . ?
C16 P1 C22 C23 -73.0(3) . . . . ?
C16 P1 C22 C27 100.8(3) . . . . ?
C16 P1 C28 C29 137.0(3) . . . . ?
C16 P1 C28 C33 -50.2(3) . . . . ?
C16 C17 C18 C19 1.3(6) . . . . ?
C17 C16 C21 C20 -1.4(6) . . . . ?
C17 C18 C19 C20 -1.4(6) . . . . ?
C18 C19 C20 C21 0.1(6) . . . . ?
C19 C20 C21 C16 1.3(6) . . . . ?
C21 C16 C17 C18 0.1(6) . . . . ?
C22 P1 C16 C17 -70.8(3) . . . . ?
C22 P1 C16 C21 104.4(3) . . . . ?
C22 P1 C28 C29 33.3(3) . . . . ?
C22 P1 C28 C33 -153.9(3) . . . . ?
C22 C23 C24 C25 -1.8(6) . . . . ?
C23 C22 C27 C26 -1.5(5) . . . . ?
C23 C24 C25 C26 -1.1(6) . . . . ?
C24 C25 C26 C27 2.7(6) . . . . ?
C25 C26 C27 C22 -1.4(6) . . . . ?
C27 C22 C23 C24 3.1(6) . . . . ?
C28 P1 C16 C17 -178.1(3) . . . . ?
C28 P1 C16 C21 -2.9(4) . . . . ?
C28 P1 C22 C23 37.3(3) . . . . ?
C28 P1 C22 C27 -149.0(3) . . . . ?
C28 C29 C30 C31 -1.5(6) . . . . ?
C29 C28 C33 C32 -0.5(5) . . . . ?
C29 C30 C31 C32 0.2(6) . . . . ?
C30 C31 C32 C33 1.0(6) . . . . ?
C31 C32 C33 C28 -0.8(6) . . . . ?
C33 C28 C29 C30 1.6(6) . . . . ?
C34 P2 C40 C41 31.7(4) . . . . ?
C34 P2 C40 C45 -154.5(3) . . . . ?
C34 P2 C46 C47 -110.2(3) . . . . ?
C34 P2 C46 C51 62.6(3) . . . . ?
C34 C35 C36 C37 -1.3(6) . . . . ?
C35 C34 C39 C38 -0.9(6) . . . . ?
C35 C36 C37 C38 0.6(6) . . . . ?
C36 C37 C38 C39 -0.1(6) . . . . ?
C37 C38 C39 C34 0.3(6) . . . . ?
C39 C34 C35 C36 1.5(6) . . . . ?
C40 P2 C34 C35 135.4(3) . . . . ?
C40 P2 C34 C39 -51.1(4) . . . . ?
C40 P2 C46 C47 137.0(3) . . . . ?
C40 P2 C46 C51 -50.3(3) . . . . ?
C40 C41 C42 C43 -1.0(6) . . . . ?
C41 C40 C45 C44 -0.4(6) . . . . ?
C41 C42 C43 C44 -0.6(7) . . . . ?
C42 C43 C44 C45 1.7(6) . . . . ?
C43 C44 C45 C40 -1.2(6) . . . . ?
C45 C40 C41 C42 1.5(6) . . . . ?
C46 P2 C34 C35 30.7(3) . . . . ?
C46 P2 C34 C39 -155.9(3) . . . . ?
C46 P2 C40 C41 135.6(3) . . . . ?
C46 P2 C40 C45 -50.7(3) . . . . ?
C46 C47 C48 C49 -1.6(6) . . . . ?
C47 C46 C51 C50 0.3(5) . . . . ?
C47 C48 C49 C50 0.5(6) . . . . ?
C48 C49 C50 C51 0.9(6) . . . . ?
C49 C50 C51 C46 -1.4(6) . . . . ?
C51 C46 C47 C48 1.1(5) . . . . ?
C52 P3 C2 C1 119.8(3) . . . . ?
C52 P3 C2 C3 -65.3(3) . . . . ?
C52 P3 C58 C59 168.2(3) . . . . ?
C52 P3 C58 C63 -7.2(4) . . . . ?
C52 P3 C64 C65 138.3(3) . . . . ?
C52 P3 C64 C69 -41.3(3) . . . . ?
C52 C53 C54 C55 0.8(6) . . . . ?
C53 C52 C57 C56 -0.3(6) . . . . ?
C53 C54 C55 C56 -0.8(6) . . . . ?
C54 C55 C56 C57 0.2(6) . . . . ?
C55 C56 C57 C52 0.4(6) . . . . ?
C57 C52 C53 C54 -0.3(6) . . . . ?
C58 P3 C2 C1 -119.8(3) . . . . ?
C58 P3 C2 C3 55.1(3) . . . . ?
C58 P3 C52 C53 -99.7(3) . . . . ?
C58 P3 C52 C57 78.3(3) . . . . ?
C58 P3 C64 C65 20.9(4) . . . . ?
C58 P3 C64 C69 -158.7(3) . . . . ?
C58 C59 C60 C61 0.1(6) . . . . ?
C59 C58 C63 C62 -0.5(6) . . . . ?
C59 C60 C61 C62 -1.2(6) . . . . ?
C60 C61 C62 C63 1.5(6) . . . . ?
C61 C62 C63 C58 -0.7(6) . . . . ?
C63 C58 C59 C60 0.8(6) . . . . ?
C64 P3 C2 C1 1.6(4) . . . . ?
C64 P3 C2 C3 176.5(3) . . . . ?
C64 P3 C52 C53 140.6(3) . . . . ?
C64 P3 C52 C57 -41.4(3) . . . . ?
C64 P3 C58 C59 -75.7(3) . . . . ?
C64 P3 C58 C63 108.9(3) . . . . ?
C64 C65 C66 C67 2.3(6) . . . . ?
C65 C64 C69 C68 0.2(6) . . . . ?
C65 C66 C67 C68 -0.8(6) . . . . ?
C66 C67 C68 C69 -1.0(6) . . . . ?
C67 C68 C69 C64 1.3(6) . . . . ?
C69 C64 C65 C66 -2.0(6) . . . . ?
Cl1S C1S C2SA Cl3 -75.5(11) . . . . ?
Cl1S C1S C2SB Cl2S 65.1(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3b
_database_code_depnum_ccdc_archive 'CCDC 2314886'
loop_
_audit_author_name
_audit_author_address
'Complex Threeb'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_3b                  
;
PROBLEM: Check Calcd Resid. Dens.  0.86Ang From Os1             3.45 eA-3
RESPONSE: Os is a heavy element and this alert is often found for molecules of this type.
;
_vrf_PLAT971_3b_2                
;
PROBLEM: Check Calcd Resid. Dens.  1.00Ang From Os1             3.44 eA-3
RESPONSE: Os is a heavy element and this alert is often found for molecules of this type.
;
_vrf_PLAT971_3b_3                
;
PROBLEM: Check Calcd Resid. Dens.  0.90Ang From Os1             3.36 eA-3
RESPONSE: Os is a heavy element and this alert is often found for molecules of this type.
;
_vrf_PLAT971_3b_4                
;
PROBLEM: Check Calcd Resid. Dens.  0.86Ang From Os1             2.78 eA-3
RESPONSE: Os is a heavy element and this alert is often found for molecules of this type.
;
_vrf_PLAT972_3b                  
;
PROBLEM: Check Calcd Resid. Dens.  1.00Ang From Os1            -2.96 eA-3
RESPONSE: Os is a heavy element and this alert is often found for molecules of this type.
;
_vrf_PLAT972_3b_2                
;
PROBLEM: Check Calcd Resid. Dens.  1.00Ang From Os1            -2.54 eA-3
RESPONSE: Os is a heavy element and this alert is often found for molecules of this type.
;
# Added during the CSD deposition process: Sunday 17 December 2023 05:23 AM
# end Validation Reply Form

_audit_creation_date             2023-11-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H58 Cl N Os P4, 5(C H2 Cl2), 2(C24 H20 B)'
_chemical_formula_sum            'C119 H108 B2 Cl11 N Os P4'
_chemical_formula_weight         2277.71
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.7974(5)
_cell_length_b                   17.7933(5)
_cell_length_c                   20.4463(6)
_cell_angle_alpha                75.9630(10)
_cell_angle_beta                 89.7200(10)
_cell_angle_gamma                73.0860(10)
_cell_volume                     5321.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9747
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      72.15
_cell_measurement_theta_min      2.93
_shelx_estimated_absorpt_T_max   0.479
_shelx_estimated_absorpt_T_min   0.277
_exptl_absorpt_coefficient_mu    5.758
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.4264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1363 before and 0.0709 after correction.
The Ratio of minimum to maximum transmission is 0.5658.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2324
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            50036
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.154
_diffrn_reflns_theta_min         2.233
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19426
_reflns_number_total             19988
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         3.477
_refine_diff_density_min         -2.515
_refine_diff_density_rms         0.137
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1246
_refine_ls_number_reflns         19988
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0507
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0802P)²+14.3737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1345
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB), C3S(H3SA,H3SB), C4S(H4SA,H4SB), C5S(H5SA,H5SB)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), 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),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C68(H68), C69(H69), C70(H70), C71(H71),
 C72(H72), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78), C80(H80), C81(H81),
  C82(H82), C83(H83), C84(H84), C86(H86), C87(H87), C88(H88), C89(H89),
 C90(H90), C92(H92), C93(H93), C94(H94), C95(H95), C96(H96), C98(H98), C99(H99),
  C100(H100), C101(H101), C102(H102), C104(H104), C105(H105), C106(H106),
 C107(H107), C108(H108), C110(H110), C111(H111), C112(H112), C113(H113),
 C114(H114)
2.c Idealised Me refined as rotating group:
 C64(H64A,H64B,H64C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.12537(2) 0.74325(2) 0.68838(2) 0.01062(7) Uani 1 1 d . . . . .
Cl1 Cl 0.07944(6) 0.76391(6) 0.57342(4) 0.01815(17) Uani 1 1 d . . . . .
Cl1S Cl -0.40308(9) 0.89881(9) 0.86672(9) 0.0553(4) Uani 1 1 d . . . . .
Cl2S Cl -0.35728(9) 1.05070(9) 0.84659(8) 0.0501(3) Uani 1 1 d . . . . .
Cl3S Cl -0.40645(8) 0.84466(8) 0.55686(7) 0.0443(3) Uani 1 1 d . . . . .
Cl4S Cl -0.35679(9) 0.98869(7) 0.49497(6) 0.0427(3) Uani 1 1 d . . . . .
Cl5S Cl 0.38977(14) 1.02311(16) 0.94469(13) 0.0881(6) Uani 1 1 d . . . . .
Cl6S Cl 0.30993(16) 0.89262(13) 0.99223(10) 0.0829(6) Uani 1 1 d . . . . .
Cl7S Cl 0.10302(11) 0.85223(8) 1.04665(7) 0.0518(4) Uani 1 1 d . . . . .
Cl8S Cl 0.21012(7) 0.83246(7) 1.17100(6) 0.0361(2) Uani 1 1 d . . . . .
Cl9S Cl 0.22850(13) 0.55524(12) 0.46543(11) 0.0729(5) Uani 1 1 d . . . . .
Cl10 Cl 0.13421(18) 0.68744(14) 0.35306(12) 0.0925(7) Uani 1 1 d . . . . .
P1 P 0.23706(6) 0.80692(6) 0.65015(4) 0.01337(18) Uani 1 1 d . . . . .
P2 P 0.01123(6) 0.67828(5) 0.71468(4) 0.01269(17) Uani 1 1 d . . . . .
P3 P -0.01614(6) 0.95873(5) 0.78326(5) 0.01391(18) Uani 1 1 d . . . . .
P4 P 0.33856(6) 0.52242(6) 0.81963(5) 0.01788(19) Uani 1 1 d . . . . .
N1 N 0.15222(18) 0.73828(18) 0.78924(14) 0.0116(6) Uani 1 1 d . . . . .
C1 C 0.0488(2) 0.8502(2) 0.70426(19) 0.0150(7) Uani 1 1 d . . . . .
H1 H 0.011670 0.889682 0.667855 0.018 Uiso 1 1 calc R U . . .
C1S C -0.4285(5) 1.0011(4) 0.8231(4) 0.0621(18) Uani 1 1 d . . . . .
H1SA H -0.425943 1.004904 0.774029 0.075 Uiso 1 1 calc R U . . .
H1SB H -0.489980 1.029607 0.831075 0.075 Uiso 1 1 calc R U . . .
C2 C 0.0498(2) 0.8662(2) 0.76549(18) 0.0143(7) Uani 1 1 d . . . . .
C2S C -0.3425(4) 0.8862(3) 0.4961(3) 0.0390(11) Uani 1 1 d . . . . .
H2SA H -0.360576 0.882629 0.450925 0.047 Uiso 1 1 calc R U . . .
H2SB H -0.279118 0.854760 0.506661 0.047 Uiso 1 1 calc R U . . .
C3 C 0.1090(2) 0.8001(2) 0.81702(18) 0.0145(7) Uani 1 1 d . . . . .
C3S C 0.4083(6) 0.9186(6) 0.9857(4) 0.084(3) Uani 1 1 d . . . . .
H3SA H 0.449185 0.884894 0.959870 0.100 Uiso 1 1 calc R U . . .
H3SB H 0.437026 0.906899 1.031443 0.100 Uiso 1 1 calc R U . . .
C4 C 0.1249(2) 0.7954(2) 0.88512(19) 0.0180(7) Uani 1 1 d . . . . .
H4 H 0.092668 0.837807 0.904411 0.022 Uiso 1 1 calc R U . . .
C4S C 0.1688(4) 0.7848(3) 1.1182(3) 0.0417(12) Uani 1 1 d . . . . .
H4SA H 0.133052 0.752461 1.144840 0.050 Uiso 1 1 calc R U . . .
H4SB H 0.219431 0.746710 1.103009 0.050 Uiso 1 1 calc R U . . .
C5 C 0.1887(2) 0.7280(2) 0.92458(19) 0.0194(8) Uani 1 1 d . . . . .
H5 H 0.201178 0.724503 0.970822 0.023 Uiso 1 1 calc R U . . .
C5S C 0.1692(9) 0.6571(7) 0.4376(6) 0.130(5) Uani 1 1 d . . . . .
H5SA H 0.116625 0.668465 0.464322 0.156 Uiso 1 1 calc R U . . .
H5SB H 0.206750 0.690024 0.446273 0.156 Uiso 1 1 calc R U . . .
C6 C 0.2334(2) 0.6666(2) 0.89601(19) 0.0185(7) Uani 1 1 d . . . . .
H6 H 0.277707 0.620844 0.922343 0.022 Uiso 1 1 calc R U . . .
C7 C 0.2139(2) 0.6714(2) 0.82898(18) 0.0141(7) Uani 1 1 d . . . . .
C8 C 0.2518(2) 0.6131(2) 0.78949(19) 0.0149(7) Uani 1 1 d . . . . .
C9 C 0.2138(2) 0.6422(2) 0.72469(19) 0.0173(7) Uani 1 1 d . . . . .
C10 C 0.3029(2) 0.7706(2) 0.58449(18) 0.0169(7) Uani 1 1 d . . . . .
C11 C 0.3586(3) 0.8151(3) 0.5530(2) 0.0236(8) Uani 1 1 d . . . . .
H11 H 0.357831 0.864224 0.563951 0.028 Uiso 1 1 calc R U . . .
C12 C 0.4147(3) 0.7875(3) 0.5060(2) 0.0286(9) Uani 1 1 d . . . . .
H12 H 0.451991 0.818069 0.484542 0.034 Uiso 1 1 calc R U . . .
C13 C 0.4169(3) 0.7159(3) 0.4900(2) 0.0313(10) Uani 1 1 d . . . . .
H13 H 0.455181 0.697407 0.457449 0.038 Uiso 1 1 calc R U . . .
C14 C 0.3632(3) 0.6712(3) 0.5217(2) 0.0321(10) Uani 1 1 d . . . . .
H14 H 0.365312 0.621613 0.511115 0.038 Uiso 1 1 calc R U . . .
C15 C 0.3060(3) 0.6979(3) 0.5689(2) 0.0238(8) Uani 1 1 d . . . . .
H15 H 0.269339 0.666751 0.590376 0.029 Uiso 1 1 calc R U . . .
C16 C 0.1945(2) 0.9170(2) 0.61424(19) 0.0159(7) Uani 1 1 d . . . . .
C17 C 0.1366(3) 0.9440(3) 0.5559(2) 0.0233(8) Uani 1 1 d . . . . .
H17 H 0.120340 0.905617 0.537499 0.028 Uiso 1 1 calc R U . . .
C18 C 0.1027(3) 1.0260(3) 0.5249(2) 0.0239(8) Uani 1 1 d . . . . .
H18 H 0.064432 1.043428 0.484925 0.029 Uiso 1 1 calc R U . . .
C19 C 0.1244(3) 1.0825(3) 0.5520(2) 0.0261(9) Uani 1 1 d . . . . .
H19 H 0.100878 1.138795 0.530998 0.031 Uiso 1 1 calc R U . . .
C20 C 0.1807(3) 1.0565(3) 0.6100(2) 0.0292(9) Uani 1 1 d . . . . .
H20 H 0.195335 1.095241 0.628934 0.035 Uiso 1 1 calc R U . . .
C21 C 0.2161(3) 0.9742(3) 0.6408(2) 0.0264(9) Uani 1 1 d . . . . .
H21 H 0.255363 0.957078 0.680196 0.032 Uiso 1 1 calc R U . . .
C22 C 0.3210(2) 0.7940(2) 0.71628(19) 0.0172(7) Uani 1 1 d . . . . .
C23 C 0.4098(3) 0.7498(3) 0.7142(2) 0.0227(8) Uani 1 1 d . . . . .
H23 H 0.427742 0.725749 0.677725 0.027 Uiso 1 1 calc R U . . .
C24 C 0.4718(3) 0.7413(3) 0.7660(2) 0.0304(10) Uani 1 1 d . . . . .
H24 H 0.532191 0.711898 0.764322 0.036 Uiso 1 1 calc R U . . .
C25 C 0.4462(3) 0.7751(3) 0.8193(2) 0.0326(10) Uani 1 1 d . . . . .
H25 H 0.488966 0.769136 0.854213 0.039 Uiso 1 1 calc R U . . .
C26 C 0.3580(3) 0.8179(3) 0.8225(2) 0.0275(9) Uani 1 1 d . . . . .
H26 H 0.340290 0.840727 0.859634 0.033 Uiso 1 1 calc R U . . .
C27 C 0.2958(3) 0.8271(3) 0.7711(2) 0.0217(8) Uani 1 1 d . . . . .
H27 H 0.235429 0.856176 0.773310 0.026 Uiso 1 1 calc R U . . .
C28 C 0.0051(3) 0.6061(2) 0.66605(18) 0.0174(7) Uani 1 1 d . . . . .
C29 C 0.0807(3) 0.5657(3) 0.6376(2) 0.0270(9) Uani 1 1 d . . . . .
H29 H 0.134342 0.579171 0.639920 0.032 Uiso 1 1 calc R U . . .
C30 C 0.0763(4) 0.5055(3) 0.6058(2) 0.0354(11) Uani 1 1 d . . . . .
H30 H 0.127225 0.477943 0.586651 0.042 Uiso 1 1 calc R U . . .
C31 C -0.0014(4) 0.4861(3) 0.6021(2) 0.0340(10) Uani 1 1 d . . . . .
H31 H -0.003731 0.445115 0.580394 0.041 Uiso 1 1 calc R U . . .
C32 C -0.0767(3) 0.5260(3) 0.6300(2) 0.0314(10) Uani 1 1 d . . . . .
H32 H -0.130296 0.512602 0.627151 0.038 Uiso 1 1 calc R U . . .
C33 C -0.0728(3) 0.5857(3) 0.6622(2) 0.0225(8) Uani 1 1 d . . . . .
H33 H -0.123809 0.612683 0.681600 0.027 Uiso 1 1 calc R U . . .
C34 C 0.0249(2) 0.6183(2) 0.80210(18) 0.0147(7) Uani 1 1 d . . . . .
C35 C 0.0146(2) 0.6583(3) 0.85381(19) 0.0190(7) Uani 1 1 d . . . . .
H35 H -0.005372 0.715942 0.842887 0.023 Uiso 1 1 calc R U . . .
C36 C 0.0329(3) 0.6153(3) 0.9204(2) 0.0246(9) Uani 1 1 d . . . . .
H36 H 0.025751 0.643281 0.955137 0.029 Uiso 1 1 calc R U . . .
C37 C 0.0618(3) 0.5309(3) 0.9371(2) 0.0260(9) Uani 1 1 d . . . . .
H37 H 0.076381 0.501206 0.982948 0.031 Uiso 1 1 calc R U . . .
C38 C 0.0691(3) 0.4905(3) 0.8864(2) 0.0291(9) Uani 1 1 d . . . . .
H38 H 0.086497 0.432875 0.897666 0.035 Uiso 1 1 calc R U . . .
C39 C 0.0510(3) 0.5339(3) 0.8190(2) 0.0219(8) Uani 1 1 d . . . . .
H39 H 0.056438 0.505806 0.784383 0.026 Uiso 1 1 calc R U . . .
C40 C -0.1011(2) 0.7482(2) 0.70753(19) 0.0160(7) Uani 1 1 d . . . . .
C41 C -0.1262(2) 0.8165(3) 0.6530(2) 0.0225(8) Uani 1 1 d . . . . .
H41 H -0.085966 0.825096 0.619339 0.027 Uiso 1 1 calc R U . . .
C42 C -0.2104(3) 0.8723(3) 0.6477(3) 0.0313(10) Uani 1 1 d . . . . .
H42 H -0.227030 0.919132 0.610857 0.038 Uiso 1 1 calc R U . . .
C43 C -0.2695(3) 0.8595(3) 0.6961(3) 0.0326(10) Uani 1 1 d . . . . .
H43 H -0.326653 0.897757 0.692503 0.039 Uiso 1 1 calc R U . . .
C44 C -0.2460(3) 0.7912(3) 0.7496(2) 0.0294(10) Uani 1 1 d . . . . .
H44 H -0.287242 0.782267 0.782296 0.035 Uiso 1 1 calc R U . . .
C45 C -0.1616(2) 0.7350(3) 0.7558(2) 0.0212(8) Uani 1 1 d . . . . .
H45 H -0.145440 0.688128 0.792654 0.025 Uiso 1 1 calc R U . . .
C46 C -0.0753(2) 0.9311(2) 0.85625(19) 0.0178(7) Uani 1 1 d . . . . .
C47 C -0.0737(3) 0.9622(3) 0.9120(2) 0.0234(8) Uani 1 1 d . . . . .
H47 H -0.043073 1.000936 0.911865 0.028 Uiso 1 1 calc R U . . .
C48 C -0.1177(3) 0.9360(3) 0.9686(2) 0.0338(10) Uani 1 1 d . . . . .
H48 H -0.117414 0.957133 1.007002 0.041 Uiso 1 1 calc R U . . .
C49 C -0.1616(3) 0.8794(3) 0.9683(3) 0.0366(11) Uani 1 1 d . . . . .
H49 H -0.190995 0.861242 1.006947 0.044 Uiso 1 1 calc R U . . .
C50 C -0.1632(3) 0.8489(3) 0.9128(3) 0.0330(10) Uani 1 1 d . . . . .
H50 H -0.193981 0.810234 0.913101 0.040 Uiso 1 1 calc R U . . .
C51 C -0.1200(3) 0.8745(2) 0.8561(2) 0.0241(8) Uani 1 1 d . . . . .
H51 H -0.121082 0.853534 0.817667 0.029 Uiso 1 1 calc R U . . .
C52 C -0.0921(2) 1.0180(2) 0.7122(2) 0.0196(8) Uani 1 1 d . . . . .
C53 C -0.0579(3) 1.0524(3) 0.6529(2) 0.0242(8) Uani 1 1 d . . . . .
H53 H 0.004398 1.039420 0.649295 0.029 Uiso 1 1 calc R U . . .
C54 C -0.1154(3) 1.1052(3) 0.5994(2) 0.0321(10) Uani 1 1 d . . . . .
H54 H -0.092409 1.128786 0.559175 0.039 Uiso 1 1 calc R U . . .
C55 C -0.2059(3) 1.1237(3) 0.6044(2) 0.0383(11) Uani 1 1 d . . . . .
H55 H -0.244798 1.160294 0.567578 0.046 Uiso 1 1 calc R U . . .
C56 C -0.2407(3) 1.0893(3) 0.6625(3) 0.0361(11) Uani 1 1 d . . . . .
H56 H -0.303161 1.101891 0.665114 0.043 Uiso 1 1 calc R U . . .
C57 C -0.1838(3) 1.0362(3) 0.7172(2) 0.0250(9) Uani 1 1 d . . . . .
H57 H -0.207153 1.012816 0.757338 0.030 Uiso 1 1 calc R U . . .
C58 C 0.0488(2) 1.0225(2) 0.79741(19) 0.0168(7) Uani 1 1 d . . . . .
C59 C 0.1340(3) 0.9896(3) 0.8301(2) 0.0225(8) Uani 1 1 d . . . . .
H59 H 0.158074 0.932517 0.847261 0.027 Uiso 1 1 calc R U . . .
C60 C 0.1833(3) 1.0410(3) 0.8375(2) 0.0281(9) Uani 1 1 d . . . . .
H60 H 0.241207 1.018555 0.859485 0.034 Uiso 1 1 calc R U . . .
C61 C 0.1487(3) 1.1245(3) 0.8129(2) 0.0265(9) Uani 1 1 d . . . . .
H61 H 0.182578 1.159169 0.818055 0.032 Uiso 1 1 calc R U . . .
C62 C 0.0643(3) 1.1569(3) 0.7808(2) 0.0290(9) Uani 1 1 d . . . . .
H62 H 0.040420 1.213986 0.763924 0.035 Uiso 1 1 calc R U . . .
C63 C 0.0144(3) 1.1068(3) 0.7731(2) 0.0232(8) Uani 1 1 d . . . . .
H63 H -0.043470 1.129774 0.751124 0.028 Uiso 1 1 calc R U . . .
C64 C 0.4335(3) 0.5455(3) 0.8458(2) 0.0278(9) Uani 1 1 d . . . . .
H64A H 0.453111 0.579350 0.807024 0.042 Uiso 1 1 calc R U . . .
H64B H 0.481392 0.495011 0.863553 0.042 Uiso 1 1 calc R U . . .
H64C H 0.418261 0.574868 0.881081 0.042 Uiso 1 1 calc R U . . .
C65 C 0.3648(3) 0.4728(3) 0.7528(3) 0.0349(11) Uani 1 1 d . . . . .
H65A H 0.314022 0.456281 0.740935 0.052 Uiso 1 1 calc R U . . .
H65B H 0.416458 0.424696 0.767515 0.052 Uiso 1 1 calc R U . . .
H65C H 0.378180 0.510086 0.713195 0.052 Uiso 1 1 calc R U . . .
C66 C 0.3091(3) 0.4551(3) 0.8903(2) 0.0294(9) Uani 1 1 d . . . . .
H66A H 0.296856 0.481121 0.927837 0.044 Uiso 1 1 calc R U . . .
H66B H 0.358278 0.404782 0.904382 0.044 Uiso 1 1 calc R U . . .
H66C H 0.256127 0.442630 0.877216 0.044 Uiso 1 1 calc R U . . .
C67 C 0.3196(3) 1.2580(3) 0.7501(2) 0.0239(8) Uani 1 1 d . . . . .
C68 C 0.2406(3) 1.3188(3) 0.7518(2) 0.0237(8) Uani 1 1 d . . . . .
H68 H 0.210354 1.352840 0.710294 0.028 Uiso 1 1 calc R U . . .
C69 C 0.2048(3) 1.3314(3) 0.8121(2) 0.0278(9) Uani 1 1 d . . . . .
H69 H 0.150041 1.372254 0.810783 0.033 Uiso 1 1 calc R U . . .
C70 C 0.2478(3) 1.2854(3) 0.8733(2) 0.0324(10) Uani 1 1 d . . . . .
H70 H 0.222714 1.293337 0.914378 0.039 Uiso 1 1 calc R U . . .
C71 C 0.3282(4) 1.2275(4) 0.8741(2) 0.0445(13) Uani 1 1 d . . . . .
H71 H 0.359849 1.196409 0.916000 0.053 Uiso 1 1 calc R U . . .
C72 C 0.3632(3) 1.2145(4) 0.8134(2) 0.0410(12) Uani 1 1 d . . . . .
H72 H 0.418795 1.174533 0.815200 0.049 Uiso 1 1 calc R U . . .
C73 C 0.4072(3) 1.1452(3) 0.6855(2) 0.0230(8) Uani 1 1 d . . . . .
C74 C 0.4783(3) 1.1172(3) 0.6477(2) 0.0315(10) Uani 1 1 d . . . . .
H74 H 0.506367 1.154573 0.622842 0.038 Uiso 1 1 calc R U . . .
C75 C 0.5094(4) 1.0355(3) 0.6453(3) 0.0458(14) Uani 1 1 d . . . . .
H75 H 0.556904 1.018867 0.618285 0.055 Uiso 1 1 calc R U . . .
C76 C 0.4712(4) 0.9793(3) 0.6821(3) 0.0466(14) Uani 1 1 d . . . . .
H76 H 0.491977 0.924043 0.680576 0.056 Uiso 1 1 calc R U . . .
C77 C 0.4028(3) 1.0049(3) 0.7209(3) 0.0445(13) Uani 1 1 d . . . . .
H77 H 0.376680 0.966774 0.747318 0.053 Uiso 1 1 calc R U . . .
C78 C 0.3714(3) 1.0863(3) 0.7219(3) 0.0342(10) Uani 1 1 d . . . . .
H78 H 0.323229 1.102289 0.748548 0.041 Uiso 1 1 calc R U . . .
C79 C 0.4325(3) 1.2948(3) 0.6638(2) 0.0283(9) Uani 1 1 d . . . . .
C80 C 0.4111(3) 1.3750(3) 0.6247(2) 0.0338(10) Uani 1 1 d . . . . .
H80 H 0.353146 1.400476 0.603300 0.041 Uiso 1 1 calc R U . . .
C81 C 0.4729(4) 1.4189(3) 0.6162(3) 0.0439(13) Uani 1 1 d . . . . .
H81 H 0.456097 1.473000 0.588823 0.053 Uiso 1 1 calc R U . . .
C82 C 0.5569(4) 1.3852(4) 0.6466(3) 0.0447(14) Uani 1 1 d . . . . .
H82 H 0.598725 1.414938 0.639882 0.054 Uiso 1 1 calc R U . . .
C83 C 0.5793(4) 1.3076(4) 0.6871(3) 0.0457(13) Uani 1 1 d . . . . .
H83 H 0.636771 1.283833 0.709650 0.055 Uiso 1 1 calc R U . . .
C84 C 0.5188(4) 1.2631(3) 0.6955(2) 0.0388(11) Uani 1 1 d . . . . .
H84 H 0.536480 1.209338 0.723578 0.047 Uiso 1 1 calc R U . . .
C85 C 0.2811(3) 1.2686(3) 0.6186(2) 0.0246(8) Uani 1 1 d . . . . .
C86 C 0.2917(3) 1.2997(3) 0.5499(2) 0.0339(10) Uani 1 1 d . . . . .
H86 H 0.346465 1.309188 0.537511 0.041 Uiso 1 1 calc R U . . .
C87 C 0.2252(4) 1.3171(3) 0.4995(2) 0.0409(12) Uani 1 1 d . . . . .
H87 H 0.235375 1.337883 0.453777 0.049 Uiso 1 1 calc R U . . .
C88 C 0.1443(3) 1.3047(3) 0.5151(2) 0.0360(11) Uani 1 1 d . . . . .
H88 H 0.098398 1.317654 0.480638 0.043 Uiso 1 1 calc R U . . .
C89 C 0.1314(3) 1.2727(3) 0.5821(2) 0.0312(10) Uani 1 1 d . . . . .
H89 H 0.076695 1.262820 0.593909 0.037 Uiso 1 1 calc R U . . .
C90 C 0.1990(3) 1.2551(3) 0.6321(2) 0.0275(9) Uani 1 1 d . . . . .
H90 H 0.188897 1.232846 0.677574 0.033 Uiso 1 1 calc R U . . .
C91 C 0.3274(2) 0.4579(2) 1.2269(2) 0.0182(7) Uani 1 1 d . . . . .
C92 C 0.3952(3) 0.4676(2) 1.2648(2) 0.0208(8) Uani 1 1 d . . . . .
H92 H 0.422218 0.508286 1.245368 0.025 Uiso 1 1 calc R U . . .
C93 C 0.4247(3) 0.4199(3) 1.3300(2) 0.0250(8) Uani 1 1 d . . . . .
H93 H 0.470643 0.429057 1.353826 0.030 Uiso 1 1 calc R U . . .
C94 C 0.3881(3) 0.3595(3) 1.3605(2) 0.0237(8) Uani 1 1 d . . . . .
H94 H 0.408025 0.327368 1.405043 0.028 Uiso 1 1 calc R U . . .
C95 C 0.3212(3) 0.3470(3) 1.3241(2) 0.0249(8) Uani 1 1 d . . . . .
H95 H 0.295641 0.305259 1.343511 0.030 Uiso 1 1 calc R U . . .
C96 C 0.2919(2) 0.3959(3) 1.2594(2) 0.0212(8) Uani 1 1 d . . . . .
H96 H 0.245494 0.386916 1.235969 0.025 Uiso 1 1 calc R U . . .
C97 C 0.2860(2) 0.4423(2) 1.10728(18) 0.0172(7) Uani 1 1 d . . . . .
C98 C 0.2095(2) 0.4226(2) 1.0925(2) 0.0195(8) Uani 1 1 d . . . . .
H98 H 0.153860 0.453932 1.103111 0.023 Uiso 1 1 calc R U . . .
C99 C 0.2114(3) 0.3593(3) 1.0630(2) 0.0232(8) Uani 1 1 d . . . . .
H99 H 0.157901 0.348002 1.054447 0.028 Uiso 1 1 calc R U . . .
C100 C 0.2912(3) 0.3128(2) 1.0462(2) 0.0227(8) Uani 1 1 d . . . . .
H100 H 0.293109 0.269622 1.025920 0.027 Uiso 1 1 calc R U . . .
C101 C 0.3687(3) 0.3307(3) 1.0597(2) 0.0214(8) Uani 1 1 d . . . . .
H101 H 0.423952 0.299889 1.048058 0.026 Uiso 1 1 calc R U . . .
C102 C 0.3654(2) 0.3932(3) 1.0901(2) 0.0209(8) Uani 1 1 d . . . . .
H102 H 0.419376 0.403256 1.099639 0.025 Uiso 1 1 calc R U . . .
C103 C 0.3430(2) 0.5721(2) 1.1146(2) 0.0189(8) Uani 1 1 d . . . . .
C104 C 0.3573(3) 0.6282(3) 1.1480(2) 0.0232(8) Uani 1 1 d . . . . .
H104 H 0.332266 0.630296 1.190105 0.028 Uiso 1 1 calc R U . . .
C105 C 0.4064(3) 0.6808(3) 1.1224(2) 0.0281(9) Uani 1 1 d . . . . .
H105 H 0.415777 0.716513 1.147436 0.034 Uiso 1 1 calc R U . . .
C106 C 0.4415(3) 0.6810(3) 1.0602(2) 0.0280(9) Uani 1 1 d . . . . .
H106 H 0.475980 0.716081 1.042641 0.034 Uiso 1 1 calc R U . . .
C107 C 0.4257(3) 0.6296(3) 1.0239(2) 0.0274(9) Uani 1 1 d . . . . .
H107 H 0.447550 0.630866 0.980453 0.033 Uiso 1 1 calc R U . . .
C108 C 0.3778(2) 0.5760(3) 1.0508(2) 0.0218(8) Uani 1 1 d . . . . .
H108 H 0.368304 0.540911 1.025093 0.026 Uiso 1 1 calc R U . . .
C109 C 0.1842(2) 0.5690(2) 1.1501(2) 0.0171(7) Uani 1 1 d . . . . .
C110 C 0.1413(3) 0.5795(3) 1.2087(2) 0.0236(8) Uani 1 1 d . . . . .
H110 H 0.171718 0.550463 1.251481 0.028 Uiso 1 1 calc R U . . .
C111 C 0.0557(3) 0.6309(3) 1.2065(2) 0.0291(9) Uani 1 1 d . . . . .
H111 H 0.028228 0.635323 1.247422 0.035 Uiso 1 1 calc R U . . .
C112 C 0.0099(3) 0.6757(3) 1.1452(2) 0.0265(9) Uani 1 1 d . . . . .
H112 H -0.048356 0.711523 1.143648 0.032 Uiso 1 1 calc R U . . .
C113 C 0.0507(3) 0.6674(3) 1.0861(2) 0.0234(8) Uani 1 1 d . . . . .
H113 H 0.020578 0.697903 1.043601 0.028 Uiso 1 1 calc R U . . .
C114 C 0.1361(2) 0.6142(2) 1.0889(2) 0.0198(8) Uani 1 1 d . . . . .
H114 H 0.162373 0.608528 1.047838 0.024 Uiso 1 1 calc R U . . .
B1 B 0.3608(3) 1.2428(3) 0.6788(2) 0.0218(9) Uani 1 1 d . . . . .
B2 B 0.2864(3) 0.5102(3) 1.1498(2) 0.0174(8) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.3726(8) . ?
Os1 P1 2.3933(9) . ?
Os1 P2 2.4038(9) . ?
Os1 N1 2.083(3) . ?
Os1 C1 2.036(4) . ?
Os1 C9 1.907(4) . ?
Cl1S C1S 1.750(7) . ?
Cl2S C1S 1.750(6) . ?
Cl3S C2S 1.757(5) . ?
Cl4S C2S 1.765(5) . ?
Cl5S C3S 1.781(10) . ?
Cl6S C3S 1.742(10) . ?
Cl7S C4S 1.760(5) . ?
Cl8S C4S 1.756(5) . ?
Cl9S C5S 1.734(11) . ?
Cl10 C5S 1.722(10) . ?
P1 C10 1.821(4) . ?
P1 C16 1.835(4) . ?
P1 C22 1.824(4) . ?
P2 C28 1.828(4) . ?
P2 C34 1.824(4) . ?
P2 C40 1.831(4) . ?
P3 C2 1.793(4) . ?
P3 C46 1.800(4) . ?
P3 C52 1.789(4) . ?
P3 C58 1.807(4) . ?
P4 C8 1.761(4) . ?
P4 C64 1.783(4) . ?
P4 C65 1.785(5) . ?
P4 C66 1.793(4) . ?
N1 C3 1.365(5) . ?
N1 C7 1.374(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.351(5) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2 C3 1.461(5) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3 C4 1.394(5) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4 H4 0.9500 . ?
C4 C5 1.393(6) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
C5 H5 0.9500 . ?
C5 C6 1.375(5) . ?
C5S H5SA 0.9900 . ?
C5S H5SB 0.9900 . ?
C6 H6 0.9500 . ?
C6 C7 1.383(5) . ?
C7 C8 1.459(5) . ?
C8 C9 1.371(5) . ?
C10 C11 1.403(6) . ?
C10 C15 1.393(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.392(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.403(5) . ?
C16 C21 1.385(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.381(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.400(5) . ?
C22 C27 1.392(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.397(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.373(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.407(5) . ?
C28 C33 1.387(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.397(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.376(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.394(7) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.396(5) . ?
C34 C39 1.390(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.377(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.390(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.385(7) . ?
C38 H38 0.9500 . ?
C38 C39 1.392(6) . ?
C39 H39 0.9500 . ?
C40 C41 1.394(6) . ?
C40 C45 1.396(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.394(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.381(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.381(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.399(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.386(6) . ?
C46 C51 1.389(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.398(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.380(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.376(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.390(6) . ?
C51 H51 0.9500 . ?
C52 C53 1.402(6) . ?
C52 C57 1.398(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.384(6) . ?
C54 H54 0.9500 . ?
C54 C55 1.380(7) . ?
C55 H55 0.9500 . ?
C55 C56 1.388(8) . ?
C56 H56 0.9500 . ?
C56 C57 1.399(6) . ?
C57 H57 0.9500 . ?
C58 C59 1.400(5) . ?
C58 C63 1.399(6) . ?
C59 H59 0.9500 . ?
C59 C60 1.396(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.389(7) . ?
C61 H61 0.9500 . ?
C61 C62 1.384(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.385(6) . ?
C63 H63 0.9500 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.400(6) . ?
C67 C72 1.400(6) . ?
C67 B1 1.644(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.393(6) . ?
C69 H69 0.9500 . ?
C69 C70 1.374(7) . ?
C70 H70 0.9500 . ?
C70 C71 1.380(7) . ?
C71 H71 0.9500 . ?
C71 C72 1.400(7) . ?
C72 H72 0.9500 . ?
C73 C74 1.400(6) . ?
C73 C78 1.392(6) . ?
C73 B1 1.649(6) . ?
C74 H74 0.9500 . ?
C74 C75 1.405(7) . ?
C75 H75 0.9500 . ?
C75 C76 1.383(9) . ?
C76 H76 0.9500 . ?
C76 C77 1.374(9) . ?
C77 H77 0.9500 . ?
C77 C78 1.392(7) . ?
C78 H78 0.9500 . ?
C79 C80 1.401(7) . ?
C79 C84 1.406(7) . ?
C79 B1 1.643(7) . ?
C80 H80 0.9500 . ?
C80 C81 1.403(7) . ?
C81 H81 0.9500 . ?
C81 C82 1.367(9) . ?
C82 H82 0.9500 . ?
C82 C83 1.372(9) . ?
C83 H83 0.9500 . ?
C83 C84 1.394(7) . ?
C84 H84 0.9500 . ?
C85 C86 1.409(6) . ?
C85 C90 1.400(6) . ?
C85 B1 1.648(6) . ?
C86 H86 0.9500 . ?
C86 C87 1.388(7) . ?
C87 H87 0.9500 . ?
C87 C88 1.382(8) . ?
C88 H88 0.9500 . ?
C88 C89 1.390(7) . ?
C89 H89 0.9500 . ?
C89 C90 1.394(6) . ?
C90 H90 0.9500 . ?
C91 C92 1.400(5) . ?
C91 C96 1.405(6) . ?
C91 B2 1.649(6) . ?
C92 H92 0.9500 . ?
C92 C93 1.392(6) . ?
C93 H93 0.9500 . ?
C93 C94 1.382(6) . ?
C94 H94 0.9500 . ?
C94 C95 1.394(6) . ?
C95 H95 0.9500 . ?
C95 C96 1.391(6) . ?
C96 H96 0.9500 . ?
C97 C98 1.405(5) . ?
C97 C102 1.403(5) . ?
C97 B2 1.652(6) . ?
C98 H98 0.9500 . ?
C98 C99 1.394(6) . ?
C99 H99 0.9500 . ?
C99 C100 1.385(6) . ?
C100 H100 0.9500 . ?
C100 C101 1.397(6) . ?
C101 H101 0.9500 . ?
C101 C102 1.389(6) . ?
C102 H102 0.9500 . ?
C103 C104 1.407(6) . ?
C103 C108 1.407(6) . ?
C103 B2 1.646(6) . ?
C104 H104 0.9500 . ?
C104 C105 1.389(6) . ?
C105 H105 0.9500 . ?
C105 C106 1.384(6) . ?
C106 H106 0.9500 . ?
C106 C107 1.383(7) . ?
C107 H107 0.9500 . ?
C107 C108 1.395(6) . ?
C108 H108 0.9500 . ?
C109 C110 1.400(5) . ?
C109 C114 1.398(6) . ?
C109 B2 1.649(5) . ?
C110 H110 0.9500 . ?
C110 C111 1.389(6) . ?
C111 H111 0.9500 . ?
C111 C112 1.386(7) . ?
C112 H112 0.9500 . ?
C112 C113 1.386(6) . ?
C113 H113 0.9500 . ?
C113 C114 1.396(5) . ?
C114 H114 0.9500 . ?

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
Cl1 Os1 P1 88.08(3) . . ?
Cl1 Os1 P2 86.02(3) . . ?
P1 Os1 P2 173.91(3) . . ?
N1 Os1 Cl1 172.66(8) . . ?
N1 Os1 P1 93.10(8) . . ?
N1 Os1 P2 92.94(8) . . ?
C1 Os1 Cl1 99.05(11) . . ?
C1 Os1 P1 89.02(10) . . ?
C1 Os1 P2 93.35(10) . . ?
C1 Os1 N1 73.74(13) . . ?
C9 Os1 Cl1 113.69(11) . . ?
C9 Os1 P1 90.89(11) . . ?
C9 Os1 P2 90.15(11) . . ?
C9 Os1 N1 73.55(13) . . ?
C9 Os1 C1 147.24(15) . . ?
C10 P1 Os1 115.88(13) . . ?
C10 P1 C16 103.52(17) . . ?
C10 P1 C22 102.96(17) . . ?
C16 P1 Os1 114.40(11) . . ?
C22 P1 Os1 113.80(12) . . ?
C22 P1 C16 104.88(17) . . ?
C28 P2 Os1 116.39(12) . . ?
C28 P2 C40 105.58(17) . . ?
C34 P2 Os1 111.93(12) . . ?
C34 P2 C28 103.50(17) . . ?
C34 P2 C40 103.56(17) . . ?
C40 P2 Os1 114.54(12) . . ?
C2 P3 C46 107.16(17) . . ?
C2 P3 C58 113.04(17) . . ?
C46 P3 C58 110.85(18) . . ?
C52 P3 C2 109.74(17) . . ?
C52 P3 C46 110.47(18) . . ?
C52 P3 C58 105.61(18) . . ?
C8 P4 C64 109.38(19) . . ?
C8 P4 C65 108.5(2) . . ?
C8 P4 C66 112.15(19) . . ?
C64 P4 C65 109.6(2) . . ?
C64 P4 C66 108.2(2) . . ?
C65 P4 C66 109.0(2) . . ?
C3 N1 Os1 121.1(2) . . ?
C3 N1 C7 119.1(3) . . ?
C7 N1 Os1 119.8(2) . . ?
Os1 C1 H1 119.3 . . ?
C2 C1 Os1 121.3(3) . . ?
C2 C1 H1 119.3 . . ?
Cl1S C1S H1SA 108.8 . . ?
Cl1S C1S H1SB 108.8 . . ?
Cl2S C1S Cl1S 113.8(4) . . ?
Cl2S C1S H1SA 108.8 . . ?
Cl2S C1S H1SB 108.8 . . ?
H1SA C1S H1SB 107.7 . . ?
C1 C2 P3 123.8(3) . . ?
C1 C2 C3 113.7(3) . . ?
C3 C2 P3 122.5(3) . . ?
Cl3S C2S Cl4S 110.5(3) . . ?
Cl3S C2S H2SA 109.6 . . ?
Cl3S C2S H2SB 109.6 . . ?
Cl4S C2S H2SA 109.6 . . ?
Cl4S C2S H2SB 109.6 . . ?
H2SA C2S H2SB 108.1 . . ?
N1 C3 C2 110.0(3) . . ?
N1 C3 C4 121.0(3) . . ?
C4 C3 C2 129.0(3) . . ?
Cl5S C3S H3SA 109.2 . . ?
Cl5S C3S H3SB 109.2 . . ?
Cl6S C3S Cl5S 111.9(5) . . ?
Cl6S C3S H3SA 109.2 . . ?
Cl6S C3S H3SB 109.2 . . ?
H3SA C3S H3SB 107.9 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
Cl7S C4S H4SA 108.7 . . ?
Cl7S C4S H4SB 108.7 . . ?
Cl8S C4S Cl7S 114.2(3) . . ?
Cl8S C4S H4SA 108.7 . . ?
Cl8S C4S H4SB 108.7 . . ?
H4SA C4S H4SB 107.6 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.4(3) . . ?
C6 C5 H5 120.3 . . ?
Cl9S C5S H5SA 108.7 . . ?
Cl9S C5S H5SB 108.7 . . ?
Cl10 C5S Cl9S 114.0(5) . . ?
Cl10 C5S H5SA 108.7 . . ?
Cl10 C5S H5SB 108.7 . . ?
H5SA C5S H5SB 107.6 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 120.1(3) . . ?
C7 C6 H6 120.0 . . ?
N1 C7 C6 121.0(3) . . ?
N1 C7 C8 110.0(3) . . ?
C6 C7 C8 128.9(3) . . ?
C7 C8 P4 124.6(3) . . ?
C9 C8 P4 125.5(3) . . ?
C9 C8 C7 109.7(3) . . ?
C8 C9 Os1 126.9(3) . . ?
C11 C10 P1 117.4(3) . . ?
C15 C10 P1 123.0(3) . . ?
C15 C10 C11 119.3(4) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.5(4) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.6(4) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 120.9(4) . . ?
C15 C14 H14 119.5 . . ?
C10 C15 H15 120.2 . . ?
C14 C15 C10 119.6(4) . . ?
C14 C15 H15 120.2 . . ?
C17 C16 P1 117.1(3) . . ?
C21 C16 P1 124.4(3) . . ?
C21 C16 C17 118.5(4) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.8(4) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.5(4) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.7(4) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 120.3(4) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 P1 121.6(3) . . ?
C27 C22 P1 119.2(3) . . ?
C27 C22 C23 119.2(4) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.7(4) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.5(4) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(4) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.7(4) . . ?
C27 C26 H26 120.1 . . ?
C22 C27 H27 119.7 . . ?
C26 C27 C22 120.6(4) . . ?
C26 C27 H27 119.7 . . ?
C29 C28 P2 120.6(3) . . ?
C33 C28 P2 119.6(3) . . ?
C33 C28 C29 119.6(4) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 C28 119.5(4) . . ?
C30 C29 H29 120.3 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.4(4) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.5(4) . . ?
C32 C31 H31 119.8 . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.5(4) . . ?
C33 C32 H32 120.2 . . ?
C28 C33 C32 120.5(4) . . ?
C28 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C35 C34 P2 118.7(3) . . ?
C39 C34 P2 122.2(3) . . ?
C39 C34 C35 119.0(3) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 C34 120.8(4) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.2(4) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.5(4) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.4(4) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 C38 120.1(4) . . ?
C34 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 P2 119.0(3) . . ?
C41 C40 C45 119.6(3) . . ?
C45 C40 P2 121.4(3) . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.1(4) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 119.9 . . ?
C43 C42 C41 120.1(4) . . ?
C43 C42 H42 119.9 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.2(4) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.3(4) . . ?
C45 C44 H44 119.9 . . ?
C40 C45 C44 119.7(4) . . ?
C40 C45 H45 120.2 . . ?
C44 C45 H45 120.2 . . ?
C47 C46 P3 121.7(3) . . ?
C47 C46 C51 120.7(4) . . ?
C51 C46 P3 117.5(3) . . ?
C46 C47 H47 120.3 . . ?
C46 C47 C48 119.4(4) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.7(4) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.7 . . ?
C50 C49 C48 120.6(4) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 H50 119.8 . . ?
C49 C50 C51 120.3(4) . . ?
C51 C50 H50 119.8 . . ?
C46 C51 C50 119.2(4) . . ?
C46 C51 H51 120.4 . . ?
C50 C51 H51 120.4 . . ?
C53 C52 P3 118.3(3) . . ?
C57 C52 P3 121.2(3) . . ?
C57 C52 C53 120.2(4) . . ?
C52 C53 H53 120.2 . . ?
C54 C53 C52 119.7(4) . . ?
C54 C53 H53 120.2 . . ?
C53 C54 H54 119.9 . . ?
C55 C54 C53 120.2(4) . . ?
C55 C54 H54 119.9 . . ?
C54 C55 H55 119.6 . . ?
C54 C55 C56 120.8(4) . . ?
C56 C55 H55 119.6 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 119.9(4) . . ?
C57 C56 H56 120.0 . . ?
C52 C57 C56 119.2(4) . . ?
C52 C57 H57 120.4 . . ?
C56 C57 H57 120.4 . . ?
C59 C58 P3 121.6(3) . . ?
C63 C58 P3 119.2(3) . . ?
C63 C58 C59 119.2(4) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.7(4) . . ?
C60 C59 H59 120.1 . . ?
C59 C60 H60 119.7 . . ?
C61 C60 C59 120.7(4) . . ?
C61 C60 H60 119.7 . . ?
C60 C61 H61 120.3 . . ?
C62 C61 C60 119.4(4) . . ?
C62 C61 H61 120.3 . . ?
C61 C62 H62 119.7 . . ?
C61 C62 C63 120.7(4) . . ?
C63 C62 H62 119.7 . . ?
C58 C63 H63 119.8 . . ?
C62 C63 C58 120.4(4) . . ?
C62 C63 H63 119.8 . . ?
P4 C64 H64A 109.5 . . ?
P4 C64 H64B 109.5 . . ?
P4 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
P4 C65 H65A 109.5 . . ?
P4 C65 H65B 109.5 . . ?
P4 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
P4 C66 H66A 109.5 . . ?
P4 C66 H66B 109.5 . . ?
P4 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 B1 122.3(4) . . ?
C72 C67 C68 115.0(4) . . ?
C72 C67 B1 122.6(4) . . ?
C67 C68 H68 118.7 . . ?
C69 C68 C67 122.5(4) . . ?
C69 C68 H68 118.7 . . ?
C68 C69 H69 119.6 . . ?
C70 C69 C68 120.7(4) . . ?
C70 C69 H69 119.6 . . ?
C69 C70 H70 120.6 . . ?
C69 C70 C71 118.7(4) . . ?
C71 C70 H70 120.6 . . ?
C70 C71 H71 119.9 . . ?
C70 C71 C72 120.2(5) . . ?
C72 C71 H71 119.9 . . ?
C67 C72 H72 118.7 . . ?
C71 C72 C67 122.7(4) . . ?
C71 C72 H72 118.7 . . ?
C74 C73 B1 121.8(4) . . ?
C78 C73 C74 115.4(4) . . ?
C78 C73 B1 122.3(4) . . ?
C73 C74 H74 119.0 . . ?
C73 C74 C75 122.0(5) . . ?
C75 C74 H74 119.0 . . ?
C74 C75 H75 119.8 . . ?
C76 C75 C74 120.4(5) . . ?
C76 C75 H75 119.8 . . ?
C75 C76 H76 120.6 . . ?
C77 C76 C75 118.7(5) . . ?
C77 C76 H76 120.6 . . ?
C76 C77 H77 119.8 . . ?
C76 C77 C78 120.4(5) . . ?
C78 C77 H77 119.8 . . ?
C73 C78 C77 123.1(5) . . ?
C73 C78 H78 118.5 . . ?
C77 C78 H78 118.5 . . ?
C80 C79 C84 115.0(4) . . ?
C80 C79 B1 123.6(4) . . ?
C84 C79 B1 121.1(4) . . ?
C79 C80 H80 119.1 . . ?
C79 C80 C81 121.9(5) . . ?
C81 C80 H80 119.1 . . ?
C80 C81 H81 119.4 . . ?
C82 C81 C80 121.3(5) . . ?
C82 C81 H81 119.4 . . ?
C81 C82 H82 120.8 . . ?
C81 C82 C83 118.5(5) . . ?
C83 C82 H82 120.8 . . ?
C82 C83 H83 119.6 . . ?
C82 C83 C84 120.8(6) . . ?
C84 C83 H83 119.6 . . ?
C79 C84 H84 118.8 . . ?
C83 C84 C79 122.5(5) . . ?
C83 C84 H84 118.8 . . ?
C86 C85 B1 123.4(4) . . ?
C90 C85 C86 114.9(4) . . ?
C90 C85 B1 121.6(4) . . ?
C85 C86 H86 118.8 . . ?
C87 C86 C85 122.5(5) . . ?
C87 C86 H86 118.8 . . ?
C86 C87 H87 119.6 . . ?
C88 C87 C86 120.8(5) . . ?
C88 C87 H87 119.6 . . ?
C87 C88 H88 120.7 . . ?
C87 C88 C89 118.6(4) . . ?
C89 C88 H88 120.7 . . ?
C88 C89 H89 120.0 . . ?
C88 C89 C90 119.9(5) . . ?
C90 C89 H89 120.0 . . ?
C85 C90 H90 118.4 . . ?
C89 C90 C85 123.2(4) . . ?
C89 C90 H90 118.4 . . ?
C92 C91 C96 114.8(4) . . ?
C92 C91 B2 127.4(4) . . ?
C96 C91 B2 117.8(3) . . ?
C91 C92 H92 118.7 . . ?
C93 C92 C91 122.6(4) . . ?
C93 C92 H92 118.7 . . ?
C92 C93 H93 119.5 . . ?
C94 C93 C92 121.1(4) . . ?
C94 C93 H93 119.5 . . ?
C93 C94 H94 120.9 . . ?
C93 C94 C95 118.3(4) . . ?
C95 C94 H94 120.9 . . ?
C94 C95 H95 120.1 . . ?
C96 C95 C94 119.8(4) . . ?
C96 C95 H95 120.1 . . ?
C91 C96 H96 118.3 . . ?
C95 C96 C91 123.5(4) . . ?
C95 C96 H96 118.3 . . ?
C98 C97 B2 123.7(3) . . ?
C102 C97 C98 114.9(4) . . ?
C102 C97 B2 121.0(3) . . ?
C97 C98 H98 118.4 . . ?
C99 C98 C97 123.2(4) . . ?
C99 C98 H98 118.4 . . ?
C98 C99 H99 119.9 . . ?
C100 C99 C98 120.1(4) . . ?
C100 C99 H99 119.9 . . ?
C99 C100 H100 120.7 . . ?
C99 C100 C101 118.5(4) . . ?
C101 C100 H100 120.7 . . ?
C100 C101 H101 119.8 . . ?
C102 C101 C100 120.4(4) . . ?
C102 C101 H101 119.8 . . ?
C97 C102 H102 118.6 . . ?
C101 C102 C97 122.8(4) . . ?
C101 C102 H102 118.6 . . ?
C104 C103 B2 119.9(3) . . ?
C108 C103 C104 115.0(4) . . ?
C108 C103 B2 125.1(4) . . ?
C103 C104 H104 118.4 . . ?
C105 C104 C103 123.1(4) . . ?
C105 C104 H104 118.4 . . ?
C104 C105 H105 120.1 . . ?
C106 C105 C104 119.8(4) . . ?
C106 C105 H105 120.1 . . ?
C105 C106 H106 120.4 . . ?
C107 C106 C105 119.2(4) . . ?
C107 C106 H106 120.4 . . ?
C106 C107 H107 119.8 . . ?
C106 C107 C108 120.4(4) . . ?
C108 C107 H107 119.8 . . ?
C103 C108 H108 118.9 . . ?
C107 C108 C103 122.3(4) . . ?
C107 C108 H108 118.9 . . ?
C110 C109 B2 124.2(3) . . ?
C114 C109 C110 115.9(3) . . ?
C114 C109 B2 119.8(3) . . ?
C109 C110 H110 118.9 . . ?
C111 C110 C109 122.2(4) . . ?
C111 C110 H110 118.9 . . ?
C110 C111 H111 119.7 . . ?
C112 C111 C110 120.6(4) . . ?
C112 C111 H111 119.7 . . ?
C111 C112 H112 120.7 . . ?
C113 C112 C111 118.7(4) . . ?
C113 C112 H112 120.7 . . ?
C112 C113 H113 119.9 . . ?
C112 C113 C114 120.2(4) . . ?
C114 C113 H113 119.9 . . ?
C109 C114 H114 118.8 . . ?
C113 C114 C109 122.4(4) . . ?
C113 C114 H114 118.8 . . ?
C67 B1 C73 110.7(3) . . ?
C67 B1 C85 110.7(3) . . ?
C79 B1 C67 105.1(3) . . ?
C79 B1 C73 112.5(3) . . ?
C79 B1 C85 114.6(4) . . ?
C85 B1 C73 103.3(3) . . ?
C91 B2 C97 105.8(3) . . ?
C103 B2 C91 112.2(3) . . ?
C103 B2 C97 112.8(3) . . ?
C103 B2 C109 105.3(3) . . ?
C109 B2 C91 111.3(3) . . ?
C109 B2 C97 109.5(3) . . ?

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 C10 C11 169.7(3) . . . . ?
Os1 P1 C10 C15 -16.1(4) . . . . ?
Os1 P1 C16 C17 -62.7(3) . . . . ?
Os1 P1 C16 C21 117.6(3) . . . . ?
Os1 P1 C22 C23 114.9(3) . . . . ?
Os1 P1 C22 C27 -63.4(3) . . . . ?
Os1 P2 C28 C29 25.8(4) . . . . ?
Os1 P2 C28 C33 -159.8(3) . . . . ?
Os1 P2 C34 C35 66.4(3) . . . . ?
Os1 P2 C34 C39 -109.3(3) . . . . ?
Os1 P2 C40 C41 41.8(3) . . . . ?
Os1 P2 C40 C45 -137.6(3) . . . . ?
Os1 N1 C3 C2 -3.2(4) . . . . ?
Os1 N1 C3 C4 177.8(3) . . . . ?
Os1 N1 C7 C6 179.7(3) . . . . ?
Os1 N1 C7 C8 0.5(4) . . . . ?
Os1 C1 C2 P3 -179.68(18) . . . . ?
Os1 C1 C2 C3 -0.6(4) . . . . ?
P1 C10 C11 C12 175.6(3) . . . . ?
P1 C10 C15 C14 -175.0(3) . . . . ?
P1 C16 C17 C18 -178.8(3) . . . . ?
P1 C16 C21 C20 179.9(3) . . . . ?
P1 C22 C23 C24 -179.9(3) . . . . ?
P1 C22 C27 C26 179.6(3) . . . . ?
P2 C28 C29 C30 174.3(4) . . . . ?
P2 C28 C33 C32 -174.8(3) . . . . ?
P2 C34 C35 C36 -173.5(3) . . . . ?
P2 C34 C39 C38 173.6(3) . . . . ?
P2 C40 C41 C42 -177.7(3) . . . . ?
P2 C40 C45 C44 178.1(3) . . . . ?
P3 C2 C3 N1 -178.6(2) . . . . ?
P3 C2 C3 C4 0.3(5) . . . . ?
P3 C46 C47 C48 -177.2(3) . . . . ?
P3 C46 C51 C50 177.1(3) . . . . ?
P3 C52 C53 C54 -173.5(3) . . . . ?
P3 C52 C57 C56 173.7(3) . . . . ?
P3 C58 C59 C60 177.3(3) . . . . ?
P3 C58 C63 C62 -177.4(3) . . . . ?
P4 C8 C9 Os1 -175.5(2) . . . . ?
N1 C3 C4 C5 2.7(5) . . . . ?
N1 C7 C8 P4 175.5(3) . . . . ?
N1 C7 C8 C9 -0.6(4) . . . . ?
C1 C2 C3 N1 2.3(4) . . . . ?
C1 C2 C3 C4 -178.8(4) . . . . ?
C2 P3 C46 C47 128.4(3) . . . . ?
C2 P3 C46 C51 -48.9(3) . . . . ?
C2 P3 C52 C53 -68.8(4) . . . . ?
C2 P3 C52 C57 116.9(3) . . . . ?
C2 P3 C58 C59 -35.5(4) . . . . ?
C2 P3 C58 C63 142.3(3) . . . . ?
C2 C3 C4 C5 -176.1(4) . . . . ?
C3 N1 C7 C6 -0.9(5) . . . . ?
C3 N1 C7 C8 180.0(3) . . . . ?
C3 C4 C5 C6 -1.3(6) . . . . ?
C4 C5 C6 C7 -1.1(6) . . . . ?
C5 C6 C7 N1 2.2(6) . . . . ?
C5 C6 C7 C8 -178.8(4) . . . . ?
C6 C7 C8 P4 -3.6(6) . . . . ?
C6 C7 C8 C9 -179.7(4) . . . . ?
C7 N1 C3 C2 177.4(3) . . . . ?
C7 N1 C3 C4 -1.6(5) . . . . ?
C7 C8 C9 Os1 0.5(5) . . . . ?
C10 P1 C16 C17 64.4(3) . . . . ?
C10 P1 C16 C21 -115.4(3) . . . . ?
C10 P1 C22 C23 -11.3(4) . . . . ?
C10 P1 C22 C27 170.4(3) . . . . ?
C10 C11 C12 C13 -0.5(7) . . . . ?
C11 C10 C15 C14 -1.0(6) . . . . ?
C11 C12 C13 C14 -0.5(7) . . . . ?
C12 C13 C14 C15 0.8(7) . . . . ?
C13 C14 C15 C10 0.0(7) . . . . ?
C15 C10 C11 C12 1.2(6) . . . . ?
C16 P1 C10 C11 43.7(3) . . . . ?
C16 P1 C10 C15 -142.2(3) . . . . ?
C16 P1 C22 C23 -119.4(3) . . . . ?
C16 P1 C22 C27 62.3(3) . . . . ?
C16 C17 C18 C19 -1.3(6) . . . . ?
C17 C16 C21 C20 0.1(6) . . . . ?
C17 C18 C19 C20 0.5(6) . . . . ?
C18 C19 C20 C21 0.6(7) . . . . ?
C19 C20 C21 C16 -0.9(7) . . . . ?
C21 C16 C17 C18 1.0(6) . . . . ?
C22 P1 C10 C11 -65.4(3) . . . . ?
C22 P1 C10 C15 108.8(3) . . . . ?
C22 P1 C16 C17 172.0(3) . . . . ?
C22 P1 C16 C21 -7.8(4) . . . . ?
C22 C23 C24 C25 0.8(7) . . . . ?
C23 C22 C27 C26 1.3(6) . . . . ?
C23 C24 C25 C26 0.3(7) . . . . ?
C24 C25 C26 C27 -0.6(7) . . . . ?
C25 C26 C27 C22 -0.2(6) . . . . ?
C27 C22 C23 C24 -1.6(6) . . . . ?
C28 P2 C34 C35 -167.5(3) . . . . ?
C28 P2 C34 C39 16.8(3) . . . . ?
C28 P2 C40 C41 -87.6(3) . . . . ?
C28 P2 C40 C45 93.1(3) . . . . ?
C28 C29 C30 C31 0.2(7) . . . . ?
C29 C28 C33 C32 -0.4(6) . . . . ?
C29 C30 C31 C32 0.0(8) . . . . ?
C30 C31 C32 C33 -0.4(7) . . . . ?
C31 C32 C33 C28 0.6(7) . . . . ?
C33 C28 C29 C30 0.0(6) . . . . ?
C34 P2 C28 C29 -97.4(3) . . . . ?
C34 P2 C28 C33 77.0(3) . . . . ?
C34 P2 C40 C41 163.9(3) . . . . ?
C34 P2 C40 C45 -15.4(3) . . . . ?
C34 C35 C36 C37 -0.2(6) . . . . ?
C35 C34 C39 C38 -2.0(6) . . . . ?
C35 C36 C37 C38 -2.2(6) . . . . ?
C36 C37 C38 C39 2.5(6) . . . . ?
C37 C38 C39 C34 -0.4(6) . . . . ?
C39 C34 C35 C36 2.4(5) . . . . ?
C40 P2 C28 C29 154.1(3) . . . . ?
C40 P2 C28 C33 -31.5(4) . . . . ?
C40 P2 C34 C35 -57.5(3) . . . . ?
C40 P2 C34 C39 126.8(3) . . . . ?
C40 C41 C42 C43 -0.9(7) . . . . ?
C41 C40 C45 C44 -1.2(6) . . . . ?
C41 C42 C43 C44 -0.4(7) . . . . ?
C42 C43 C44 C45 0.9(7) . . . . ?
C43 C44 C45 C40 -0.1(6) . . . . ?
C45 C40 C41 C42 1.7(6) . . . . ?
C46 P3 C2 C1 127.8(3) . . . . ?
C46 P3 C2 C3 -51.1(3) . . . . ?
C46 P3 C52 C53 173.2(3) . . . . ?
C46 P3 C52 C57 -1.0(4) . . . . ?
C46 P3 C58 C59 84.8(3) . . . . ?
C46 P3 C58 C63 -97.4(3) . . . . ?
C46 C47 C48 C49 0.4(7) . . . . ?
C47 C46 C51 C50 -0.2(6) . . . . ?
C47 C48 C49 C50 -0.6(7) . . . . ?
C48 C49 C50 C51 0.4(7) . . . . ?
C49 C50 C51 C46 0.0(7) . . . . ?
C51 C46 C47 C48 0.0(6) . . . . ?
C52 P3 C2 C1 7.8(4) . . . . ?
C52 P3 C2 C3 -171.1(3) . . . . ?
C52 P3 C46 C47 -112.1(3) . . . . ?
C52 P3 C46 C51 70.6(3) . . . . ?
C52 P3 C58 C59 -155.5(3) . . . . ?
C52 P3 C58 C63 22.3(3) . . . . ?
C52 C53 C54 C55 -0.4(7) . . . . ?
C53 C52 C57 C56 -0.4(6) . . . . ?
C53 C54 C55 C56 -0.5(7) . . . . ?
C54 C55 C56 C57 0.9(8) . . . . ?
C55 C56 C57 C52 -0.5(7) . . . . ?
C57 C52 C53 C54 0.8(6) . . . . ?
C58 P3 C2 C1 -109.8(3) . . . . ?
C58 P3 C2 C3 71.3(3) . . . . ?
C58 P3 C46 C47 4.7(4) . . . . ?
C58 P3 C46 C51 -172.7(3) . . . . ?
C58 P3 C52 C53 53.3(3) . . . . ?
C58 P3 C52 C57 -120.9(3) . . . . ?
C58 C59 C60 C61 0.3(6) . . . . ?
C59 C58 C63 C62 0.5(6) . . . . ?
C59 C60 C61 C62 0.0(7) . . . . ?
C60 C61 C62 C63 0.0(7) . . . . ?
C61 C62 C63 C58 -0.3(6) . . . . ?
C63 C58 C59 C60 -0.5(6) . . . . ?
C64 P4 C8 C7 -58.6(4) . . . . ?
C64 P4 C8 C9 116.9(4) . . . . ?
C65 P4 C8 C7 -178.2(3) . . . . ?
C65 P4 C8 C9 -2.6(4) . . . . ?
C66 P4 C8 C7 61.4(4) . . . . ?
C66 P4 C8 C9 -123.1(4) . . . . ?
C67 C68 C69 C70 2.1(7) . . . . ?
C68 C67 C72 C71 3.5(8) . . . . ?
C68 C67 B1 C73 -143.7(4) . . . . ?
C68 C67 B1 C79 94.6(5) . . . . ?
C68 C67 B1 C85 -29.8(6) . . . . ?
C68 C69 C70 C71 1.3(7) . . . . ?
C69 C70 C71 C72 -2.1(9) . . . . ?
C70 C71 C72 C67 -0.4(10) . . . . ?
C72 C67 C68 C69 -4.4(7) . . . . ?
C72 C67 B1 C73 40.3(6) . . . . ?
C72 C67 B1 C79 -81.4(5) . . . . ?
C72 C67 B1 C85 154.2(5) . . . . ?
C73 C74 C75 C76 -1.5(8) . . . . ?
C74 C73 C78 C77 -0.4(7) . . . . ?
C74 C73 B1 C67 -150.9(4) . . . . ?
C74 C73 B1 C79 -33.6(5) . . . . ?
C74 C73 B1 C85 90.6(5) . . . . ?
C74 C75 C76 C77 -0.1(8) . . . . ?
C75 C76 C77 C78 1.4(8) . . . . ?
C76 C77 C78 C73 -1.1(8) . . . . ?
C78 C73 C74 C75 1.7(7) . . . . ?
C78 C73 B1 C67 37.8(6) . . . . ?
C78 C73 B1 C79 155.1(4) . . . . ?
C78 C73 B1 C85 -80.8(5) . . . . ?
C79 C80 C81 C82 -0.8(7) . . . . ?
C80 C79 C84 C83 -1.6(7) . . . . ?
C80 C79 B1 C67 -92.3(5) . . . . ?
C80 C79 B1 C73 147.1(4) . . . . ?
C80 C79 B1 C85 29.5(5) . . . . ?
C80 C81 C82 C83 -1.3(7) . . . . ?
C81 C82 C83 C84 1.9(8) . . . . ?
C82 C83 C84 C79 -0.4(8) . . . . ?
C84 C79 C80 C81 2.1(6) . . . . ?
C84 C79 B1 C67 81.6(5) . . . . ?
C84 C79 B1 C73 -39.0(5) . . . . ?
C84 C79 B1 C85 -156.6(4) . . . . ?
C85 C86 C87 C88 0.2(8) . . . . ?
C86 C85 C90 C89 -1.6(6) . . . . ?
C86 C85 B1 C67 148.4(4) . . . . ?
C86 C85 B1 C73 -93.0(5) . . . . ?
C86 C85 B1 C79 29.7(6) . . . . ?
C86 C87 C88 C89 -1.3(8) . . . . ?
C87 C88 C89 C90 1.0(7) . . . . ?
C88 C89 C90 C85 0.5(7) . . . . ?
C90 C85 C86 C87 1.2(7) . . . . ?
C90 C85 B1 C67 -36.5(5) . . . . ?
C90 C85 B1 C73 82.1(4) . . . . ?
C90 C85 B1 C79 -155.2(4) . . . . ?
C91 C92 C93 C94 0.4(6) . . . . ?
C92 C91 C96 C95 -0.3(6) . . . . ?
C92 C91 B2 C97 130.6(4) . . . . ?
C92 C91 B2 C103 7.2(5) . . . . ?
C92 C91 B2 C109 -110.5(4) . . . . ?
C92 C93 C94 C95 0.5(6) . . . . ?
C93 C94 C95 C96 -1.2(6) . . . . ?
C94 C95 C96 C91 1.2(6) . . . . ?
C96 C91 C92 C93 -0.5(5) . . . . ?
C96 C91 B2 C97 -49.1(4) . . . . ?
C96 C91 B2 C103 -172.5(3) . . . . ?
C96 C91 B2 C109 69.8(4) . . . . ?
C97 C98 C99 C100 -0.7(6) . . . . ?
C98 C97 C102 C101 1.0(6) . . . . ?
C98 C97 B2 C91 102.4(4) . . . . ?
C98 C97 B2 C103 -134.6(4) . . . . ?
C98 C97 B2 C109 -17.7(5) . . . . ?
C98 C99 C100 C101 0.3(6) . . . . ?
C99 C100 C101 C102 0.7(6) . . . . ?
C100 C101 C102 C97 -1.4(6) . . . . ?
C102 C97 C98 C99 0.0(6) . . . . ?
C102 C97 B2 C91 -70.2(4) . . . . ?
C102 C97 B2 C103 52.8(5) . . . . ?
C102 C97 B2 C109 169.7(3) . . . . ?
C103 C104 C105 C106 1.9(7) . . . . ?
C104 C103 C108 C107 2.2(6) . . . . ?
C104 C103 B2 C91 -54.2(4) . . . . ?
C104 C103 B2 C97 -173.6(3) . . . . ?
C104 C103 B2 C109 67.0(4) . . . . ?
C104 C105 C106 C107 1.2(7) . . . . ?
C105 C106 C107 C108 -2.4(7) . . . . ?
C106 C107 C108 C103 0.7(6) . . . . ?
C108 C103 C104 C105 -3.5(6) . . . . ?
C108 C103 B2 C91 127.7(4) . . . . ?
C108 C103 B2 C97 8.3(5) . . . . ?
C108 C103 B2 C109 -111.0(4) . . . . ?
C109 C110 C111 C112 -1.6(7) . . . . ?
C110 C109 C114 C113 0.7(6) . . . . ?
C110 C109 B2 C91 6.2(5) . . . . ?
C110 C109 B2 C97 122.9(4) . . . . ?
C110 C109 B2 C103 -115.6(4) . . . . ?
C110 C111 C112 C113 0.9(7) . . . . ?
C111 C112 C113 C114 0.5(6) . . . . ?
C112 C113 C114 C109 -1.3(6) . . . . ?
C114 C109 C110 C111 0.8(6) . . . . ?
C114 C109 B2 C91 -175.9(3) . . . . ?
C114 C109 B2 C97 -59.2(4) . . . . ?
C114 C109 B2 C103 62.3(4) . . . . ?
B1 C67 C68 C69 179.3(4) . . . . ?
B1 C67 C72 C71 179.8(5) . . . . ?
B1 C73 C74 C75 -170.2(4) . . . . ?
B1 C73 C78 C77 171.4(4) . . . . ?
B1 C79 C80 C81 176.4(4) . . . . ?
B1 C79 C84 C83 -176.0(4) . . . . ?
B1 C85 C86 C87 176.5(4) . . . . ?
B1 C85 C90 C89 -177.0(4) . . . . ?
B2 C91 C92 C93 179.8(4) . . . . ?
B2 C91 C96 C95 179.5(4) . . . . ?
B2 C97 C98 C99 -172.9(4) . . . . ?
B2 C97 C102 C101 174.2(4) . . . . ?
B2 C103 C104 C105 178.2(4) . . . . ?
B2 C103 C108 C107 -179.6(4) . . . . ?
B2 C109 C110 C111 178.7(4) . . . . ?
B2 C109 C114 C113 -177.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_11a
_database_code_depnum_ccdc_archive 'CCDC 2314892'
loop_
_audit_author_name
_audit_author_address
'Complex Elevena'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-03-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C69 H53 Cl2 N Os P3 S, 2(C2 H4 Cl2), B F4'
_chemical_formula_sum            'C73 H61 B Cl6 F4 N Os P3 S'
_chemical_formula_weight         1566.90
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
B B 0.0070 0.0029 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -6.0803 4.9890 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9632(9)
_cell_length_b                   11.5217(10)
_cell_length_c                   29.202(3)
_cell_angle_alpha                78.917(3)
_cell_angle_beta                 82.668(3)
_cell_angle_gamma                88.004(3)
_cell_volume                     3262.6(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9511
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      55.94
_cell_measurement_theta_min      3.41
_shelx_estimated_absorpt_T_max   0.637
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    4.957
_exptl_absorpt_correction_T_max  0.7510
_exptl_absorpt_correction_T_min  0.6235
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1263 before and 0.0924 after correction.
The Ratio of minimum to maximum transmission is 0.8302.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_unetI/netI     0.0489
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            60506
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.995
_diffrn_reflns_theta_min         3.413
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           3.57
_diffrn_source_power             0.24947159999999996
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           69.88
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11911
_reflns_number_total             12772
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.949
_refine_diff_density_min         -2.014
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     839
_refine_ls_number_reflns         12772
_refine_ls_number_restraints     99
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0294P)²+26.2175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1193
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 F2A-B1 \\sim F3-B1
 with sigma of 0.02
 F3A-B1 \\sim F4-B1
 with sigma of 0.02
 F4A-B1 \\sim F2-B1
 with sigma of 0.02
 F4-B1 \\sim F3A-B1 \\sim F3-B1 \\sim F1-B1 \\sim F2A-B1 \\sim F4A-B1 \\sim
F2-B1
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2A \\sim F3A \\sim F4A \\sim F2 \\sim F3 \\sim F4 \\sim B1: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
4. Others
 Sof(F2)=Sof(F3)=Sof(F4)=1-FVAR(1)
 Sof(F2A)=Sof(F3A)=Sof(F4A)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB), C3S(H3SA,H3SB), C4S(H4SA,H4SB)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C10(H10), C13(H13), C14(H14), C15(H15),
 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), C33(H33),
 C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42), C43(H43),
  C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51),
 C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60), C61(H61),
  C62(H62), C63(H63), C65(H65), C66(H66), C67(H67), C68(H68), C69(H69)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.23271(2) 0.43361(2) 0.79883(2) 0.01240(7) Uani 1 1 d . . . . .
Cl1 Cl 0.60341(12) 0.44975(12) 0.88100(4) 0.0252(3) Uani 1 1 d . . . . .
Cl2 Cl -0.00666(10) 0.41010(9) 0.79587(4) 0.0170(2) Uani 1 1 d . . . . .
S1 S 0.07442(14) 0.19566(12) 0.95228(5) 0.0282(3) Uani 1 1 d . . . . .
P1 P 0.28964(11) 0.23275(10) 0.79051(4) 0.0146(2) Uani 1 1 d . . . . .
P2 P 0.18206(11) 0.62887(10) 0.81342(4) 0.0133(2) Uani 1 1 d . . . . .
P3 P 0.32133(12) 0.55682(11) 0.63376(4) 0.0170(2) Uani 1 1 d . . . . .
N1 N 0.4296(4) 0.4865(3) 0.76478(13) 0.0128(7) Uani 1 1 d . . . . .
C1 C 0.2213(5) 0.4846(4) 0.72743(16) 0.0137(9) Uani 1 1 d . . . . .
H1 H 0.135668 0.483259 0.716465 0.016 Uiso 1 1 calc R U . . .
C2 C 0.3306(5) 0.5198(4) 0.69559(16) 0.0154(9) Uani 1 1 d . . . . .
C3 C 0.4555(5) 0.5169(4) 0.71697(16) 0.0157(9) Uani 1 1 d . . . . .
C4 C 0.5851(5) 0.5405(4) 0.69473(18) 0.0200(10) Uani 1 1 d . . . . .
H4 H 0.601756 0.558102 0.661373 0.024 Uiso 1 1 calc R U . . .
C5 C 0.6916(5) 0.5383(4) 0.72173(18) 0.0204(10) Uani 1 1 d . . . . .
H5 H 0.781438 0.552970 0.706815 0.024 Uiso 1 1 calc R U . . .
C6 C 0.6658(5) 0.5149(4) 0.76999(18) 0.0201(10) Uani 1 1 d . . . . .
H6 H 0.736693 0.517757 0.788621 0.024 Uiso 1 1 calc R U . . .
C7 C 0.5350(5) 0.4871(4) 0.79123(17) 0.0155(9) Uani 1 1 d . . . . .
C8 C 0.4912(5) 0.4530(4) 0.83990(17) 0.0152(9) Uani 1 1 d . . . . .
C9 C 0.3626(5) 0.4193(4) 0.85084(16) 0.0149(9) Uani 1 1 d . . . . .
C10 C 0.2789(5) 0.3689(4) 0.89223(18) 0.0210(10) Uani 1 1 d . . . . .
H10 H 0.299682 0.347153 0.923618 0.025 Uiso 1 1 calc R U . . .
C11 C 0.1622(5) 0.3605(4) 0.87491(17) 0.0181(9) Uani 1 1 d . . . . .
C12 C 0.0436(5) 0.3059(4) 0.90449(18) 0.0229(10) Uani 1 1 d . . . . .
C13 C -0.0955(5) 0.3246(4) 0.90444(18) 0.0216(10) Uani 1 1 d . . . . .
H13 H -0.135004 0.380891 0.881638 0.026 Uiso 1 1 calc R U . . .
C14 C -0.1714(6) 0.2488(5) 0.9427(2) 0.0292(12) Uani 1 1 d . . . . .
H14 H -0.267462 0.249997 0.947973 0.035 Uiso 1 1 calc R U . . .
C15 C -0.0949(7) 0.1757(6) 0.9708(2) 0.0360(14) Uani 1 1 d . . . . .
H15 H -0.130372 0.119807 0.997530 0.043 Uiso 1 1 calc R U . . .
C16 C 0.2138(5) 0.1144(4) 0.83683(17) 0.0170(9) Uani 1 1 d . . . . .
C17 C 0.0721(5) 0.1137(4) 0.84384(17) 0.0181(9) Uani 1 1 d . . . . .
H17 H 0.022474 0.175995 0.827038 0.022 Uiso 1 1 calc R U . . .
C18 C 0.0038(5) 0.0225(4) 0.87520(18) 0.0211(10) Uani 1 1 d . . . . .
H18 H -0.092339 0.022589 0.879657 0.025 Uiso 1 1 calc R U . . .
C19 C 0.0749(6) -0.0683(4) 0.89996(19) 0.0243(11) Uani 1 1 d . . . . .
H19 H 0.028110 -0.130267 0.921646 0.029 Uiso 1 1 calc R U . . .
C20 C 0.2146(6) -0.0681(4) 0.8929(2) 0.0257(11) Uani 1 1 d . . . . .
H20 H 0.263604 -0.130186 0.910116 0.031 Uiso 1 1 calc R U . . .
C21 C 0.2846(5) 0.0215(4) 0.86105(19) 0.0239(11) Uani 1 1 d . . . . .
H21 H 0.380670 0.019161 0.855873 0.029 Uiso 1 1 calc R U . . .
C22 C 0.2425(5) 0.1798(4) 0.73928(17) 0.0189(10) Uani 1 1 d . . . . .
C23 C 0.1319(5) 0.2270(4) 0.71689(17) 0.0192(10) Uani 1 1 d . . . . .
H23 H 0.082926 0.292214 0.726499 0.023 Uiso 1 1 calc R U . . .
C24 C 0.0929(6) 0.1787(5) 0.68048(18) 0.0254(11) Uani 1 1 d . . . . .
H24 H 0.015849 0.209944 0.666030 0.031 Uiso 1 1 calc R U . . .
C25 C 0.1654(6) 0.0852(5) 0.66499(19) 0.0297(12) Uani 1 1 d . . . . .
H25 H 0.140861 0.054985 0.639187 0.036 Uiso 1 1 calc R U . . .
C26 C 0.2737(6) 0.0369(5) 0.6877(2) 0.0284(12) Uani 1 1 d . . . . .
H26 H 0.323050 -0.027636 0.677686 0.034 Uiso 1 1 calc R U . . .
C27 C 0.3110(5) 0.0816(4) 0.72506(19) 0.0232(11) Uani 1 1 d . . . . .
H27 H 0.383431 0.045619 0.741094 0.028 Uiso 1 1 calc R U . . .
C28 C 0.4731(5) 0.2102(4) 0.78621(18) 0.0187(10) Uani 1 1 d . . . . .
C29 C 0.5507(5) 0.2229(4) 0.7422(2) 0.0228(10) Uani 1 1 d . . . . .
H29 H 0.506976 0.237088 0.714591 0.027 Uiso 1 1 calc R U . . .
C30 C 0.6921(5) 0.2150(5) 0.7384(2) 0.0288(12) Uani 1 1 d . . . . .
H30 H 0.743677 0.221794 0.708361 0.035 Uiso 1 1 calc R U . . .
C31 C 0.7562(5) 0.1976(5) 0.7781(2) 0.0299(12) Uani 1 1 d . . . . .
H31 H 0.852103 0.191888 0.775415 0.036 Uiso 1 1 calc R U . . .
C32 C 0.6814(6) 0.1880(5) 0.8226(2) 0.0289(12) Uani 1 1 d . . . . .
H32 H 0.726185 0.177052 0.849989 0.035 Uiso 1 1 calc R U . . .
C33 C 0.5397(5) 0.1948(4) 0.8264(2) 0.0226(10) Uani 1 1 d . . . . .
H33 H 0.488447 0.188792 0.856476 0.027 Uiso 1 1 calc R U . . .
C34 C 0.3377(5) 0.7142(4) 0.80772(17) 0.0165(9) Uani 1 1 d . . . . .
C35 C 0.3918(5) 0.7639(4) 0.76217(18) 0.0203(10) Uani 1 1 d . . . . .
H35 H 0.344065 0.757056 0.736665 0.024 Uiso 1 1 calc R U . . .
C36 C 0.5143(5) 0.8234(5) 0.7531(2) 0.0271(11) Uani 1 1 d . . . . .
H36 H 0.550070 0.856015 0.721715 0.032 Uiso 1 1 calc R U . . .
C37 C 0.5836(5) 0.8349(5) 0.7901(2) 0.0295(12) Uani 1 1 d . . . . .
H37 H 0.666440 0.876719 0.784307 0.035 Uiso 1 1 calc R U . . .
C38 C 0.5322(5) 0.7855(5) 0.8353(2) 0.0279(12) Uani 1 1 d . . . . .
H38 H 0.580217 0.793263 0.860630 0.034 Uiso 1 1 calc R U . . .
C39 C 0.4105(5) 0.7241(5) 0.84450(19) 0.0244(11) Uani 1 1 d . . . . .
H39 H 0.377161 0.688944 0.875868 0.029 Uiso 1 1 calc R U . . .
C40 C 0.0826(5) 0.7345(4) 0.77569(16) 0.0153(9) Uani 1 1 d . . . . .
C41 C 0.0057(5) 0.7062(4) 0.74288(17) 0.0190(10) Uani 1 1 d . . . . .
H41 H 0.008841 0.627992 0.736815 0.023 Uiso 1 1 calc R U . . .
C42 C -0.0749(5) 0.7904(5) 0.71908(18) 0.0228(10) Uani 1 1 d . . . . .
H42 H -0.125291 0.769850 0.696348 0.027 Uiso 1 1 calc R U . . .
C43 C -0.0836(5) 0.9043(4) 0.72778(18) 0.0203(10) Uani 1 1 d . . . . .
H43 H -0.139506 0.961871 0.711294 0.024 Uiso 1 1 calc R U . . .
C44 C -0.0086(5) 0.9335(4) 0.76125(18) 0.0201(10) Uani 1 1 d . . . . .
H44 H -0.014612 1.011157 0.767884 0.024 Uiso 1 1 calc R U . . .
C45 C 0.0737(5) 0.8504(4) 0.78461(17) 0.0189(10) Uani 1 1 d . . . . .
H45 H 0.125019 0.871483 0.806977 0.023 Uiso 1 1 calc R U . . .
C46 C 0.0807(5) 0.6317(4) 0.87044(16) 0.0156(9) Uani 1 1 d . . . . .
C47 C -0.0599(5) 0.6497(4) 0.87043(18) 0.0211(10) Uani 1 1 d . . . . .
H47 H -0.097869 0.662257 0.841615 0.025 Uiso 1 1 calc R U . . .
C48 C -0.1431(5) 0.6490(5) 0.91236(19) 0.0251(11) Uani 1 1 d . . . . .
H48 H -0.237860 0.660442 0.911989 0.030 Uiso 1 1 calc R U . . .
C49 C -0.0905(6) 0.6322(5) 0.95433(19) 0.0269(12) Uani 1 1 d . . . . .
H49 H -0.148231 0.633318 0.982761 0.032 Uiso 1 1 calc R U . . .
C50 C 0.0474(6) 0.6135(4) 0.95504(18) 0.0242(11) Uani 1 1 d . . . . .
H50 H 0.084353 0.602261 0.984015 0.029 Uiso 1 1 calc R U . . .
C51 C 0.1317(5) 0.6111(4) 0.91347(17) 0.0188(10) Uani 1 1 d . . . . .
H51 H 0.225606 0.595283 0.914455 0.023 Uiso 1 1 calc R U . . .
C52 C 0.4356(5) 0.4596(5) 0.60515(17) 0.0216(10) Uani 1 1 d . . . . .
C53 C 0.5242(5) 0.5047(5) 0.56511(18) 0.0232(10) Uani 1 1 d . . . . .
H53 H 0.521580 0.586268 0.551277 0.028 Uiso 1 1 calc R U . . .
C54 C 0.6167(6) 0.4280(5) 0.54569(19) 0.0281(12) Uani 1 1 d . . . . .
H54 H 0.677471 0.457690 0.518466 0.034 Uiso 1 1 calc R U . . .
C55 C 0.6204(6) 0.3092(5) 0.5658(2) 0.0302(12) Uani 1 1 d . . . . .
H55 H 0.685055 0.257853 0.552973 0.036 Uiso 1 1 calc R U . . .
C56 C 0.5295(6) 0.2653(5) 0.6049(2) 0.0285(12) Uani 1 1 d . . . . .
H56 H 0.530671 0.183281 0.618112 0.034 Uiso 1 1 calc R U . . .
C57 C 0.4366(5) 0.3397(5) 0.62485(18) 0.0229(10) Uani 1 1 d . . . . .
H57 H 0.374609 0.309081 0.651613 0.027 Uiso 1 1 calc R U . . .
C58 C 0.3641(5) 0.7083(4) 0.60691(17) 0.0215(10) Uani 1 1 d . . . . .
C59 C 0.3211(6) 0.7524(5) 0.56396(19) 0.0274(11) Uani 1 1 d . . . . .
H59 H 0.268844 0.704838 0.549841 0.033 Uiso 1 1 calc R U . . .
C60 C 0.3547(6) 0.8673(5) 0.5413(2) 0.0322(13) Uani 1 1 d . . . . .
H60 H 0.324340 0.898906 0.511876 0.039 Uiso 1 1 calc R U . . .
C61 C 0.4324(6) 0.9352(5) 0.5619(2) 0.0307(12) Uani 1 1 d . . . . .
H61 H 0.454514 1.013933 0.546603 0.037 Uiso 1 1 calc R U . . .
C62 C 0.4786(6) 0.8887(5) 0.60492(19) 0.0259(11) Uani 1 1 d . . . . .
H62 H 0.534085 0.934722 0.618524 0.031 Uiso 1 1 calc R U . . .
C63 C 0.4433(5) 0.7754(4) 0.62760(18) 0.0223(10) Uani 1 1 d . . . . .
H63 H 0.472976 0.743584 0.657152 0.027 Uiso 1 1 calc R U . . .
C64 C 0.1499(5) 0.5399(5) 0.62356(17) 0.0208(10) Uani 1 1 d . . . . .
C65 C 0.1090(6) 0.4391(5) 0.60961(18) 0.0262(11) Uani 1 1 d . . . . .
H65 H 0.172555 0.378115 0.604424 0.031 Uiso 1 1 calc R U . . .
C66 C -0.0267(6) 0.4283(6) 0.6033(2) 0.0314(13) Uani 1 1 d . . . . .
H66 H -0.056437 0.358245 0.595231 0.038 Uiso 1 1 calc R U . . .
C67 C -0.1173(6) 0.5196(6) 0.6088(2) 0.0344(14) Uani 1 1 d . . . . .
H67 H -0.208537 0.512997 0.603438 0.041 Uiso 1 1 calc R U . . .
C68 C -0.0763(6) 0.6203(6) 0.62190(18) 0.0292(12) Uani 1 1 d . . . . .
H68 H -0.139685 0.682193 0.625836 0.035 Uiso 1 1 calc R U . . .
C69 C 0.0563(5) 0.6317(5) 0.62936(18) 0.0242(11) Uani 1 1 d . . . . .
H69 H 0.084140 0.701253 0.638365 0.029 Uiso 1 1 calc R U . . .
Cl1S Cl 0.03047(18) 0.67950(18) 0.50095(6) 0.0505(4) Uani 1 1 d . . . . .
Cl2S Cl -0.29032(19) 0.75225(16) 0.47576(7) 0.0504(4) Uani 1 1 d . . . . .
C1S C -0.0544(9) 0.8201(8) 0.5036(3) 0.060(2) Uani 1 1 d . . . . .
H1SA H -0.016917 0.857588 0.526898 0.072 Uiso 1 1 calc R U . . .
H1SB H -0.037177 0.873116 0.472516 0.072 Uiso 1 1 calc R U . . .
C2S C -0.2099(10) 0.8046(8) 0.5175(3) 0.063(2) Uani 1 1 d . . . . .
H2SA H -0.250807 0.881836 0.521946 0.076 Uiso 1 1 calc R U . . .
H2SB H -0.226302 0.748833 0.547886 0.076 Uiso 1 1 calc R U . . .
Cl3S Cl 0.4811(2) 0.68516(16) 0.97160(6) 0.0525(4) Uani 1 1 d . . . . .
C3S C 0.4376(7) 0.5341(6) 0.9919(2) 0.0429(16) Uani 1 1 d . . . . .
H3SA H 0.363529 0.526880 1.018262 0.051 Uiso 1 1 calc R U . . .
H3SB H 0.406126 0.501276 0.966203 0.051 Uiso 1 1 calc R U . . .
Cl4S Cl 0.3840(4) 0.0293(3) 1.06431(12) 0.1136(12) Uani 1 1 d . . . . .
C4S C 0.4322(15) 0.0210(18) 0.9996(8) 0.181(10) Uani 1 1 d . . . . .
H4SA H 0.374507 -0.035129 0.989403 0.217 Uiso 1 1 calc R U . . .
H4SB H 0.427237 0.099626 0.978964 0.217 Uiso 1 1 calc R U . . .
F1 F -0.2413(4) 1.0431(4) 0.56565(13) 0.0497(8) Uani 1 1 d D U . . .
F2A F -0.1014(9) 1.1126(7) 0.6081(3) 0.0590(10) Uani 0.578(6) 1 d D U P A 1
F3A F -0.1195(10) 0.9117(7) 0.6091(3) 0.0614(10) Uani 0.578(6) 1 d D U P A 1
F4A F -0.2808(8) 1.0145(8) 0.6456(2) 0.0578(10) Uani 0.578(6) 1 d D U P A 1
F2 F -0.1552(13) 1.1093(10) 0.6264(4) 0.0588(11) Uani 0.422(6) 1 d D U P A 2
F3 F -0.0513(11) 0.9588(10) 0.5975(4) 0.0589(11) Uani 0.422(6) 1 d D U P A 2
F4 F -0.2461(12) 0.9270(10) 0.6395(3) 0.0607(11) Uani 0.422(6) 1 d D U P A 2
B1 B -0.1799(8) 1.0169(7) 0.6064(3) 0.0574(9) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl2 2.4239(11) . ?
Os1 P1 2.4138(11) . ?
Os1 P2 2.3941(11) . ?
Os1 N1 2.135(4) . ?
Os1 C1 2.071(5) . ?
Os1 C9 2.098(4) . ?
Os1 C11 2.250(5) . ?
Cl1 C8 1.736(5) . ?
S1 C12 1.748(5) . ?
S1 C15 1.714(7) . ?
P1 C16 1.833(5) . ?
P1 C22 1.839(5) . ?
P1 C28 1.829(5) . ?
P2 C34 1.838(5) . ?
P2 C40 1.832(5) . ?
P2 C46 1.839(5) . ?
P3 C2 1.787(5) . ?
P3 C52 1.810(5) . ?
P3 C58 1.812(5) . ?
P3 C64 1.795(5) . ?
N1 C3 1.366(6) . ?
N1 C7 1.382(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.358(7) . ?
C2 C3 1.458(6) . ?
C3 C4 1.380(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.397(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.375(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(7) . ?
C7 C8 1.415(7) . ?
C8 C9 1.333(7) . ?
C9 C10 1.414(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.340(7) . ?
C11 C12 1.456(7) . ?
C12 C13 1.395(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.428(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.346(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.400(7) . ?
C16 C21 1.388(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.381(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.380(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.394(7) . ?
C22 C27 1.405(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.392(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.384(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(7) . ?
C28 C33 1.399(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.400(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.372(9) . ?
C31 H31 0.9500 . ?
C31 C32 1.399(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.403(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(7) . ?
C34 C39 1.394(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.391(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.384(8) . ?
C37 H37 0.9500 . ?
C37 C38 1.373(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.396(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.391(7) . ?
C40 C45 1.407(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.378(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.381(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.398(7) . ?
C44 H44 0.9500 . ?
C44 C45 1.375(7) . ?
C45 H45 0.9500 . ?
C46 C47 1.409(7) . ?
C46 C51 1.391(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.387(7) . ?
C48 H48 0.9500 . ?
C48 C49 1.371(8) . ?
C49 H49 0.9500 . ?
C49 C50 1.385(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.390(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.397(7) . ?
C52 C57 1.391(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.398(8) . ?
C54 H54 0.9500 . ?
C54 C55 1.383(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.387(8) . ?
C56 H56 0.9500 . ?
C56 C57 1.390(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.376(8) . ?
C58 C63 1.389(7) . ?
C59 H59 0.9500 . ?
C59 C60 1.393(8) . ?
C60 H60 0.9500 . ?
C60 C61 1.383(9) . ?
C61 H61 0.9500 . ?
C61 C62 1.397(8) . ?
C62 H62 0.9500 . ?
C62 C63 1.380(7) . ?
C63 H63 0.9500 . ?
C64 C65 1.393(7) . ?
C64 C69 1.406(7) . ?
C65 H65 0.9500 . ?
C65 C66 1.400(8) . ?
C66 H66 0.9500 . ?
C66 C67 1.381(9) . ?
C67 H67 0.9500 . ?
C67 C68 1.380(9) . ?
C68 H68 0.9500 . ?
C68 C69 1.380(8) . ?
C69 H69 0.9500 . ?
Cl1S C1S 1.811(9) . ?
Cl2S C2S 1.748(9) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2S 1.558(13) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
Cl3S C3S 1.777(7) . ?
C3S C3S 1.526(14) 2_667 ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
Cl4S C4S 1.91(2) . ?
C4S C4S 1.42(3) 2_657 ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
F1 B1 1.384(7) . ?
F2A B1 1.386(10) . ?
F3A B1 1.327(10) . ?
F4A B1 1.421(9) . ?
F2 B1 1.352(11) . ?
F3 B1 1.443(11) . ?
F4 B1 1.393(10) . ?

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
P1 Os1 Cl2 93.91(4) . . ?
P2 Os1 Cl2 88.11(4) . . ?
P2 Os1 P1 175.27(4) . . ?
N1 Os1 Cl2 150.46(11) . . ?
N1 Os1 P1 89.12(10) . . ?
N1 Os1 P2 91.23(10) . . ?
N1 Os1 C11 130.29(17) . . ?
C1 Os1 Cl2 78.74(13) . . ?
C1 Os1 P1 91.65(12) . . ?
C1 Os1 P2 92.94(12) . . ?
C1 Os1 N1 71.80(16) . . ?
C1 Os1 C9 143.96(19) . . ?
C1 Os1 C11 157.79(18) . . ?
C9 Os1 Cl2 137.11(13) . . ?
C9 Os1 P1 89.53(13) . . ?
C9 Os1 P2 86.08(13) . . ?
C9 Os1 N1 72.20(17) . . ?
C9 Os1 C11 58.24(19) . . ?
C11 Os1 Cl2 79.24(13) . . ?
C11 Os1 P1 86.99(12) . . ?
C11 Os1 P2 89.19(12) . . ?
C15 S1 C12 92.4(3) . . ?
C16 P1 Os1 117.09(15) . . ?
C16 P1 C22 98.6(2) . . ?
C22 P1 Os1 118.75(17) . . ?
C28 P1 Os1 110.10(15) . . ?
C28 P1 C16 107.1(2) . . ?
C28 P1 C22 103.8(2) . . ?
C34 P2 Os1 110.86(15) . . ?
C34 P2 C46 110.4(2) . . ?
C40 P2 Os1 121.77(16) . . ?
C40 P2 C34 99.7(2) . . ?
C40 P2 C46 98.9(2) . . ?
C46 P2 Os1 113.73(15) . . ?
C2 P3 C52 108.3(2) . . ?
C2 P3 C58 114.9(2) . . ?
C2 P3 C64 108.7(2) . . ?
C52 P3 C58 108.4(2) . . ?
C64 P3 C52 111.4(2) . . ?
C64 P3 C58 105.3(2) . . ?
C3 N1 Os1 121.6(3) . . ?
C3 N1 C7 118.6(4) . . ?
C7 N1 Os1 119.8(3) . . ?
Os1 C1 H1 118.5 . . ?
C2 C1 Os1 122.9(3) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 P3 122.6(4) . . ?
C1 C2 C3 112.9(4) . . ?
C3 C2 P3 124.3(3) . . ?
N1 C3 C2 110.5(4) . . ?
N1 C3 C4 121.5(4) . . ?
C4 C3 C2 128.0(4) . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(5) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.7(4) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.3 . . ?
C5 C6 C7 119.3(5) . . ?
C7 C6 H6 120.3 . . ?
N1 C7 C6 121.2(4) . . ?
N1 C7 C8 111.4(4) . . ?
C6 C7 C8 127.4(4) . . ?
C7 C8 Cl1 120.7(3) . . ?
C9 C8 Cl1 123.9(4) . . ?
C9 C8 C7 115.4(4) . . ?
C8 C9 Os1 120.9(3) . . ?
C8 C9 C10 136.2(5) . . ?
C10 C9 Os1 102.9(3) . . ?
C9 C10 H10 129.7 . . ?
C11 C10 C9 100.6(4) . . ?
C11 C10 H10 129.7 . . ?
C10 C11 Os1 98.2(3) . . ?
C10 C11 C12 121.6(5) . . ?
C12 C11 Os1 140.0(4) . . ?
C11 C12 S1 116.4(4) . . ?
C13 C12 S1 109.8(4) . . ?
C13 C12 C11 133.8(5) . . ?
C12 C13 H13 124.0 . . ?
C12 C13 C14 111.9(5) . . ?
C14 C13 H13 124.0 . . ?
C13 C14 H14 122.9 . . ?
C15 C14 C13 114.1(5) . . ?
C15 C14 H14 122.9 . . ?
S1 C15 H15 124.1 . . ?
C14 C15 S1 111.7(4) . . ?
C14 C15 H15 124.1 . . ?
C17 C16 P1 115.5(4) . . ?
C21 C16 P1 125.2(4) . . ?
C21 C16 C17 119.0(5) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(5) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.3(5) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.4(5) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 121.0(5) . . ?
C21 C20 H20 119.5 . . ?
C16 C21 C20 119.8(5) . . ?
C16 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 P1 121.8(4) . . ?
C23 C22 C27 118.7(5) . . ?
C27 C22 P1 119.3(4) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.9(5) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 120.5 . . ?
C26 C25 C24 119.0(5) . . ?
C26 C25 H25 120.5 . . ?
C25 C26 H26 119.6 . . ?
C25 C26 C27 120.8(5) . . ?
C27 C26 H26 119.6 . . ?
C22 C27 H27 119.8 . . ?
C26 C27 C22 120.4(5) . . ?
C26 C27 H27 119.8 . . ?
C29 C28 P1 120.3(4) . . ?
C29 C28 C33 118.7(5) . . ?
C33 C28 P1 120.6(4) . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.8(5) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(5) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.6(5) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.3 . . ?
C31 C32 C33 119.4(5) . . ?
C33 C32 H32 120.3 . . ?
C28 C33 C32 120.6(5) . . ?
C28 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C35 C34 P2 116.1(4) . . ?
C35 C34 C39 118.2(5) . . ?
C39 C34 P2 125.4(4) . . ?
C34 C35 H35 119.3 . . ?
C34 C35 C36 121.4(5) . . ?
C36 C35 H35 119.3 . . ?
C35 C36 H36 120.2 . . ?
C37 C36 C35 119.6(5) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.7(5) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 119.5 . . ?
C37 C38 C39 120.9(5) . . ?
C39 C38 H38 119.5 . . ?
C34 C39 C38 120.1(5) . . ?
C34 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 P2 125.3(4) . . ?
C41 C40 C45 118.3(4) . . ?
C45 C40 P2 116.1(4) . . ?
C40 C41 H41 119.6 . . ?
C42 C41 C40 120.7(4) . . ?
C42 C41 H41 119.6 . . ?
C41 C42 H42 119.5 . . ?
C41 C42 C43 121.0(5) . . ?
C43 C42 H42 119.5 . . ?
C42 C43 H43 120.5 . . ?
C42 C43 C44 118.9(5) . . ?
C44 C43 H43 120.5 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 H44 119.8 . . ?
C40 C45 H45 119.7 . . ?
C44 C45 C40 120.6(5) . . ?
C44 C45 H45 119.7 . . ?
C47 C46 P2 117.1(4) . . ?
C51 C46 P2 124.7(4) . . ?
C51 C46 C47 118.0(4) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.2(5) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 119.5 . . ?
C49 C48 C47 120.9(5) . . ?
C49 C48 H48 119.5 . . ?
C48 C49 H49 120.2 . . ?
C48 C49 C50 119.6(5) . . ?
C50 C49 H49 120.2 . . ?
C49 C50 H50 119.9 . . ?
C49 C50 C51 120.1(5) . . ?
C51 C50 H50 119.9 . . ?
C46 C51 H51 119.5 . . ?
C50 C51 C46 121.0(5) . . ?
C50 C51 H51 119.5 . . ?
C53 C52 P3 120.7(4) . . ?
C57 C52 P3 118.6(4) . . ?
C57 C52 C53 120.7(5) . . ?
C52 C53 H53 120.5 . . ?
C52 C53 C54 119.0(5) . . ?
C54 C53 H53 120.5 . . ?
C53 C54 H54 119.8 . . ?
C55 C54 C53 120.5(5) . . ?
C55 C54 H54 119.8 . . ?
C54 C55 H55 120.1 . . ?
C54 C55 C56 119.8(5) . . ?
C56 C55 H55 120.1 . . ?
C55 C56 H56 119.6 . . ?
C55 C56 C57 120.9(5) . . ?
C57 C56 H56 119.6 . . ?
C52 C57 H57 120.4 . . ?
C56 C57 C52 119.1(5) . . ?
C56 C57 H57 120.4 . . ?
C59 C58 P3 117.4(4) . . ?
C59 C58 C63 121.1(5) . . ?
C63 C58 P3 121.4(4) . . ?
C58 C59 H59 120.3 . . ?
C58 C59 C60 119.5(5) . . ?
C60 C59 H59 120.3 . . ?
C59 C60 H60 120.1 . . ?
C61 C60 C59 119.8(5) . . ?
C61 C60 H60 120.1 . . ?
C60 C61 H61 119.9 . . ?
C60 C61 C62 120.3(5) . . ?
C62 C61 H61 119.9 . . ?
C61 C62 H62 120.1 . . ?
C63 C62 C61 119.7(5) . . ?
C63 C62 H62 120.1 . . ?
C58 C63 H63 120.2 . . ?
C62 C63 C58 119.5(5) . . ?
C62 C63 H63 120.2 . . ?
C65 C64 P3 121.4(4) . . ?
C65 C64 C69 119.9(5) . . ?
C69 C64 P3 118.7(4) . . ?
C64 C65 H65 120.3 . . ?
C64 C65 C66 119.4(5) . . ?
C66 C65 H65 120.3 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0(5) . . ?
C67 C66 H66 120.0 . . ?
C66 C67 H67 119.7 . . ?
C68 C67 C66 120.6(5) . . ?
C68 C67 H67 119.7 . . ?
C67 C68 H68 119.8 . . ?
C67 C68 C69 120.4(5) . . ?
C69 C68 H68 119.8 . . ?
C64 C69 H69 120.2 . . ?
C68 C69 C64 119.6(5) . . ?
C68 C69 H69 120.2 . . ?
Cl1S C1S H1SA 109.3 . . ?
Cl1S C1S H1SB 109.3 . . ?
H1SA C1S H1SB 108.0 . . ?
C2S C1S Cl1S 111.6(6) . . ?
C2S C1S H1SA 109.3 . . ?
C2S C1S H1SB 109.3 . . ?
Cl2S C2S H2SA 108.9 . . ?
Cl2S C2S H2SB 108.9 . . ?
C1S C2S Cl2S 113.5(6) . . ?
C1S C2S H2SA 108.9 . . ?
C1S C2S H2SB 108.9 . . ?
H2SA C2S H2SB 107.7 . . ?
Cl3S C3S H3SA 110.0 . . ?
Cl3S C3S H3SB 110.0 . . ?
C3S C3S Cl3S 108.6(6) 2_667 . ?
C3S C3S H3SA 110.0 2_667 . ?
C3S C3S H3SB 110.0 2_667 . ?
H3SA C3S H3SB 108.3 . . ?
Cl4S C4S H4SA 111.7 . . ?
Cl4S C4S H4SB 111.7 . . ?
C4S C4S Cl4S 100(2) 2_657 . ?
C4S C4S H4SA 111.7 2_657 . ?
C4S C4S H4SB 111.7 2_657 . ?
H4SA C4S H4SB 109.5 . . ?
F1 B1 F2A 108.0(6) . . ?
F1 B1 F4A 108.7(6) . . ?
F1 B1 F3 110.0(7) . . ?
F1 B1 F4 112.1(7) . . ?
F2A B1 F4A 103.2(7) . . ?
F3A B1 F1 109.5(6) . . ?
F3A B1 F2A 117.7(8) . . ?
F3A B1 F4A 109.4(7) . . ?
F2 B1 F1 116.6(7) . . ?
F2 B1 F3 106.4(9) . . ?
F2 B1 F4 110.9(9) . . ?
F4 B1 F3 99.4(8) . . ?

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 C16 C17 58.7(4) . . . . ?
Os1 P1 C16 C21 -128.3(4) . . . . ?
Os1 P1 C22 C23 -27.5(5) . . . . ?
Os1 P1 C22 C27 158.8(3) . . . . ?
Os1 P1 C28 C29 -94.5(4) . . . . ?
Os1 P1 C28 C33 77.5(4) . . . . ?
Os1 P2 C34 C35 80.6(4) . . . . ?
Os1 P2 C34 C39 -93.5(4) . . . . ?
Os1 P2 C40 C41 14.2(5) . . . . ?
Os1 P2 C40 C45 -172.6(3) . . . . ?
Os1 P2 C46 C47 -98.0(4) . . . . ?
Os1 P2 C46 C51 78.4(4) . . . . ?
Os1 N1 C3 C2 6.2(5) . . . . ?
Os1 N1 C3 C4 -173.9(3) . . . . ?
Os1 N1 C7 C6 176.5(3) . . . . ?
Os1 N1 C7 C8 -1.6(5) . . . . ?
Os1 C1 C2 P3 176.9(2) . . . . ?
Os1 C1 C2 C3 0.4(6) . . . . ?
Os1 C9 C10 C11 -1.0(4) . . . . ?
Os1 C11 C12 S1 143.9(4) . . . . ?
Os1 C11 C12 C13 -38.6(9) . . . . ?
Cl1 C8 C9 Os1 177.3(2) . . . . ?
Cl1 C8 C9 C10 -4.1(8) . . . . ?
S1 C12 C13 C14 -0.3(6) . . . . ?
P1 C16 C17 C18 174.6(4) . . . . ?
P1 C16 C21 C20 -175.0(4) . . . . ?
P1 C22 C23 C24 -175.1(4) . . . . ?
P1 C22 C27 C26 177.3(4) . . . . ?
P1 C28 C29 C30 175.0(4) . . . . ?
P1 C28 C33 C32 -174.3(4) . . . . ?
P2 C34 C35 C36 -175.5(4) . . . . ?
P2 C34 C39 C38 175.9(4) . . . . ?
P2 C40 C41 C42 174.3(4) . . . . ?
P2 C40 C45 C44 -174.0(4) . . . . ?
P2 C46 C47 C48 178.0(4) . . . . ?
P2 C46 C51 C50 -179.2(4) . . . . ?
P3 C2 C3 N1 179.6(3) . . . . ?
P3 C2 C3 C4 -0.3(7) . . . . ?
P3 C52 C53 C54 176.1(4) . . . . ?
P3 C52 C57 C56 -176.2(4) . . . . ?
P3 C58 C59 C60 -178.2(4) . . . . ?
P3 C58 C63 C62 177.1(4) . . . . ?
P3 C64 C65 C66 178.3(4) . . . . ?
P3 C64 C69 C68 -179.7(4) . . . . ?
N1 C3 C4 C5 -2.8(7) . . . . ?
N1 C7 C8 Cl1 -178.5(3) . . . . ?
N1 C7 C8 C9 4.6(6) . . . . ?
C1 C2 C3 N1 -4.0(6) . . . . ?
C1 C2 C3 C4 176.1(5) . . . . ?
C2 P3 C52 C53 -133.3(4) . . . . ?
C2 P3 C52 C57 44.5(5) . . . . ?
C2 P3 C58 C59 -160.9(4) . . . . ?
C2 P3 C58 C63 22.4(5) . . . . ?
C2 P3 C64 C65 -99.4(4) . . . . ?
C2 P3 C64 C69 81.4(4) . . . . ?
C2 C3 C4 C5 177.0(5) . . . . ?
C3 N1 C7 C6 -1.6(6) . . . . ?
C3 N1 C7 C8 -179.7(4) . . . . ?
C3 C4 C5 C6 -1.2(7) . . . . ?
C4 C5 C6 C7 3.7(7) . . . . ?
C5 C6 C7 N1 -2.3(7) . . . . ?
C5 C6 C7 C8 175.5(5) . . . . ?
C6 C7 C8 Cl1 3.5(7) . . . . ?
C6 C7 C8 C9 -173.4(5) . . . . ?
C7 N1 C3 C2 -175.7(4) . . . . ?
C7 N1 C3 C4 4.2(6) . . . . ?
C7 C8 C9 Os1 -5.9(6) . . . . ?
C7 C8 C9 C10 172.7(5) . . . . ?
C8 C9 C10 C11 -179.8(6) . . . . ?
C9 C10 C11 Os1 0.9(4) . . . . ?
C9 C10 C11 C12 176.4(4) . . . . ?
C10 C11 C12 S1 -29.1(6) . . . . ?
C10 C11 C12 C13 148.4(6) . . . . ?
C11 C12 C13 C14 -177.9(5) . . . . ?
C12 S1 C15 C14 -0.5(5) . . . . ?
C12 C13 C14 C15 -0.1(7) . . . . ?
C13 C14 C15 S1 0.4(7) . . . . ?
C15 S1 C12 C11 178.5(4) . . . . ?
C15 S1 C12 C13 0.5(4) . . . . ?
C16 P1 C22 C23 99.9(4) . . . . ?
C16 P1 C22 C27 -73.8(4) . . . . ?
C16 P1 C28 C29 137.2(4) . . . . ?
C16 P1 C28 C33 -50.8(4) . . . . ?
C16 C17 C18 C19 0.2(7) . . . . ?
C17 C16 C21 C20 -2.2(7) . . . . ?
C17 C18 C19 C20 -0.6(8) . . . . ?
C18 C19 C20 C21 -0.5(8) . . . . ?
C19 C20 C21 C16 1.9(8) . . . . ?
C21 C16 C17 C18 1.2(7) . . . . ?
C22 P1 C16 C17 -69.8(4) . . . . ?
C22 P1 C16 C21 103.1(5) . . . . ?
C22 P1 C28 C29 33.6(4) . . . . ?
C22 P1 C28 C33 -154.5(4) . . . . ?
C22 C23 C24 C25 -1.8(8) . . . . ?
C23 C22 C27 C26 3.5(7) . . . . ?
C23 C24 C25 C26 2.9(8) . . . . ?
C24 C25 C26 C27 -0.8(8) . . . . ?
C25 C26 C27 C22 -2.4(8) . . . . ?
C27 C22 C23 C24 -1.4(7) . . . . ?
C28 P1 C16 C17 -177.2(3) . . . . ?
C28 P1 C16 C21 -4.2(5) . . . . ?
C28 P1 C22 C23 -150.1(4) . . . . ?
C28 P1 C22 C27 36.3(4) . . . . ?
C28 C29 C30 C31 -1.6(8) . . . . ?
C29 C28 C33 C32 -2.2(7) . . . . ?
C29 C30 C31 C32 -0.3(8) . . . . ?
C30 C31 C32 C33 0.9(8) . . . . ?
C31 C32 C33 C28 0.4(8) . . . . ?
C33 C28 C29 C30 2.8(7) . . . . ?
C34 P2 C40 C41 136.3(4) . . . . ?
C34 P2 C40 C45 -50.5(4) . . . . ?
C34 P2 C46 C47 136.6(4) . . . . ?
C34 P2 C46 C51 -46.9(5) . . . . ?
C34 C35 C36 C37 -0.7(8) . . . . ?
C35 C34 C39 C38 1.8(7) . . . . ?
C35 C36 C37 C38 1.2(8) . . . . ?
C36 C37 C38 C39 -0.2(8) . . . . ?
C37 C38 C39 C34 -1.3(8) . . . . ?
C39 C34 C35 C36 -0.8(7) . . . . ?
C40 P2 C34 C35 -48.9(4) . . . . ?
C40 P2 C34 C39 136.9(4) . . . . ?
C40 P2 C46 C47 32.7(4) . . . . ?
C40 P2 C46 C51 -150.9(4) . . . . ?
C40 C41 C42 C43 -1.2(8) . . . . ?
C41 C40 C45 C44 -0.3(7) . . . . ?
C41 C42 C43 C44 0.1(8) . . . . ?
C42 C43 C44 C45 0.9(8) . . . . ?
C43 C44 C45 C40 -0.8(7) . . . . ?
C45 C40 C41 C42 1.3(7) . . . . ?
C46 P2 C34 C35 -152.4(4) . . . . ?
C46 P2 C34 C39 33.4(5) . . . . ?
C46 P2 C40 C41 -111.1(4) . . . . ?
C46 P2 C40 C45 62.2(4) . . . . ?
C46 C47 C48 C49 0.6(8) . . . . ?
C47 C46 C51 C50 -2.8(7) . . . . ?
C47 C48 C49 C50 -1.1(8) . . . . ?
C48 C49 C50 C51 -0.4(8) . . . . ?
C49 C50 C51 C46 2.4(7) . . . . ?
C51 C46 C47 C48 1.3(7) . . . . ?
C52 P3 C2 C1 -120.7(4) . . . . ?
C52 P3 C2 C3 55.3(4) . . . . ?
C52 P3 C58 C59 77.9(5) . . . . ?
C52 P3 C58 C63 -98.8(4) . . . . ?
C52 P3 C64 C65 19.8(5) . . . . ?
C52 P3 C64 C69 -159.4(4) . . . . ?
C52 C53 C54 C55 0.0(8) . . . . ?
C53 C52 C57 C56 1.6(8) . . . . ?
C53 C54 C55 C56 1.6(8) . . . . ?
C54 C55 C56 C57 -1.7(9) . . . . ?
C55 C56 C57 C52 0.1(8) . . . . ?
C57 C52 C53 C54 -1.7(8) . . . . ?
C58 P3 C2 C1 118.0(4) . . . . ?
C58 P3 C2 C3 -65.9(5) . . . . ?
C58 P3 C52 C53 -8.1(5) . . . . ?
C58 P3 C52 C57 169.7(4) . . . . ?
C58 P3 C64 C65 137.0(4) . . . . ?
C58 P3 C64 C69 -42.2(4) . . . . ?
C58 C59 C60 C61 0.9(9) . . . . ?
C59 C58 C63 C62 0.5(8) . . . . ?
C59 C60 C61 C62 0.7(9) . . . . ?
C60 C61 C62 C63 -1.7(8) . . . . ?
C61 C62 C63 C58 1.1(8) . . . . ?
C63 C58 C59 C60 -1.6(8) . . . . ?
C64 P3 C2 C1 0.4(5) . . . . ?
C64 P3 C2 C3 176.5(4) . . . . ?
C64 P3 C52 C53 107.3(4) . . . . ?
C64 P3 C52 C57 -74.9(5) . . . . ?
C64 P3 C58 C59 -41.4(5) . . . . ?
C64 P3 C58 C63 141.9(4) . . . . ?
C64 C65 C66 C67 3.0(8) . . . . ?
C65 C64 C69 C68 1.1(8) . . . . ?
C65 C66 C67 C68 -2.0(9) . . . . ?
C66 C67 C68 C69 0.6(9) . . . . ?
C67 C68 C69 C64 -0.1(8) . . . . ?
C69 C64 C65 C66 -2.5(8) . . . . ?
Cl1S C1S C2S Cl2S -64.8(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_8
_database_code_depnum_ccdc_archive 'CCDC 2314890'
loop_
_audit_author_name
_audit_author_address
'Complex Eight'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2022-11-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H50 Cl2 N Os P3, 2(Cl)'
_chemical_formula_sum            'C63 H50 Cl4 N Os P3'
_chemical_formula_weight         1245.95
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.5847(5)
_cell_length_b                   20.8470(8)
_cell_length_c                   21.1394(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.8120(10)
_cell_angle_gamma                90
_cell_volume                     5533.7(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9617
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      72.32
_cell_measurement_theta_min      4.11
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.262
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5146
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1144 before and 0.0571 after correction. The Ratio of minimum to maximum transmission is 0.6829. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            95746
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.322
_diffrn_reflns_theta_min         2.980
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10625
_reflns_number_total             10922
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.640
_refine_diff_density_min         -1.743
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         10922
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0316
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0371P)²+18.7166P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0830
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: Cl2S(0.5) Cl3S(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), 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), C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41),
  C42(H42), C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49),
 C50(H50), C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59),
  C60(H60), C61(H61), C62(H62), C63(H63)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.42081(2) 0.14511(2) 0.39145(2) 0.01399(5) Uani 1 1 d . . . . .
Cl1 Cl 0.31230(8) 0.25782(5) 0.20871(4) 0.0353(2) Uani 1 1 d . . . . .
Cl2 Cl 0.47068(6) 0.03598(3) 0.39977(4) 0.02043(15) Uani 1 1 d . . . . .
P1 P 0.24115(6) 0.11123(3) 0.39690(3) 0.01392(14) Uani 1 1 d . . . . .
P2 P 0.60047(6) 0.17430(4) 0.37996(4) 0.01639(15) Uani 1 1 d . . . . .
P3 P 0.39960(6) 0.25482(4) 0.58281(4) 0.02120(17) Uani 1 1 d . . . . .
N1 N 0.3696(2) 0.23985(12) 0.39315(12) 0.0179(5) Uani 1 1 d . . . . .
C1 C 0.4320(2) 0.16966(16) 0.48434(14) 0.0189(6) Uani 1 1 d . . . . .
H1 H 0.457756 0.139435 0.515308 0.023 Uiso 1 1 calc R . . . .
C2 C 0.4025(3) 0.22963(16) 0.50255(15) 0.0205(6) Uani 1 1 d . . . . .
C3 C 0.3649(3) 0.27069(16) 0.44986(16) 0.0220(7) Uani 1 1 d . . . . .
C4 C 0.3266(4) 0.33283(17) 0.45207(19) 0.0357(9) Uani 1 1 d . . . . .
H4 H 0.326970 0.355215 0.491233 0.043 Uiso 1 1 calc R . . . .
C5 C 0.2873(4) 0.36212(18) 0.3959(2) 0.0416(11) Uani 1 1 d . . . . .
H5 H 0.258197 0.404127 0.396816 0.050 Uiso 1 1 calc R . . . .
C6 C 0.2909(3) 0.32984(19) 0.33898(19) 0.0335(8) Uani 1 1 d . . . . .
H6 H 0.263639 0.349328 0.300654 0.040 Uiso 1 1 calc R . . . .
C7 C 0.3345(3) 0.26901(16) 0.33819(16) 0.0227(7) Uani 1 1 d . . . . .
C8 C 0.3484(3) 0.22761(18) 0.28426(15) 0.0240(7) Uani 1 1 d . . . . .
C9 C 0.3879(3) 0.16847(17) 0.29573(15) 0.0213(6) Uani 1 1 d . . . . .
H9 H 0.400066 0.139177 0.262564 0.026 Uiso 1 1 calc R . . . .
C10 C 0.1959(2) 0.04740(14) 0.34138(14) 0.0168(6) Uani 1 1 d . . . . .
C11 C 0.0982(3) 0.01845(17) 0.34715(16) 0.0238(7) Uani 1 1 d . . . . .
H11 H 0.055026 0.031679 0.379951 0.029 Uiso 1 1 calc R . . . .
C12 C 0.0623(3) -0.02978(17) 0.30563(17) 0.0264(7) Uani 1 1 d . . . . .
H12 H -0.004541 -0.049672 0.310534 0.032 Uiso 1 1 calc R . . . .
C13 C 0.1238(3) -0.04877(16) 0.25731(16) 0.0239(7) Uani 1 1 d . . . . .
H13 H 0.099057 -0.081502 0.228734 0.029 Uiso 1 1 calc R . . . .
C14 C 0.2213(3) -0.02011(16) 0.25056(16) 0.0234(7) Uani 1 1 d . . . . .
H14 H 0.263551 -0.032835 0.217147 0.028 Uiso 1 1 calc R . . . .
C15 C 0.2574(3) 0.02744(16) 0.29283(15) 0.0209(6) Uani 1 1 d . . . . .
H15 H 0.325020 0.046545 0.288453 0.025 Uiso 1 1 calc R . . . .
C16 C 0.2051(2) 0.08114(14) 0.47420(14) 0.0169(6) Uani 1 1 d . . . . .
C17 C 0.1008(3) 0.08492(15) 0.49341(15) 0.0196(6) Uani 1 1 d . . . . .
H17 H 0.046398 0.103625 0.466078 0.023 Uiso 1 1 calc R . . . .
C18 C 0.0768(3) 0.06149(16) 0.55204(16) 0.0229(7) Uani 1 1 d . . . . .
H18 H 0.005917 0.063957 0.564720 0.028 Uiso 1 1 calc R . . . .
C19 C 0.1562(3) 0.03438(17) 0.59240(16) 0.0262(7) Uani 1 1 d . . . . .
H19 H 0.139585 0.018689 0.632768 0.031 Uiso 1 1 calc R . . . .
C20 C 0.2590(3) 0.03024(16) 0.57389(16) 0.0237(7) Uani 1 1 d . . . . .
H20 H 0.313133 0.011820 0.601622 0.028 Uiso 1 1 calc R . . . .
C21 C 0.2835(3) 0.05283(15) 0.51506(15) 0.0198(6) Uani 1 1 d . . . . .
H21 H 0.354261 0.049064 0.502327 0.024 Uiso 1 1 calc R . . . .
C22 C 0.1454(2) 0.17576(15) 0.37952(15) 0.0175(6) Uani 1 1 d . . . . .
C23 C 0.1197(3) 0.21809(16) 0.42741(16) 0.0231(7) Uani 1 1 d . . . . .
H23 H 0.148676 0.211452 0.469557 0.028 Uiso 1 1 calc R . . . .
C24 C 0.0524(3) 0.26973(17) 0.41405(18) 0.0309(8) Uani 1 1 d . . . . .
H24 H 0.034526 0.297920 0.447031 0.037 Uiso 1 1 calc R . . . .
C25 C 0.0112(3) 0.28007(19) 0.3524(2) 0.0360(9) Uani 1 1 d . . . . .
H25 H -0.036471 0.314678 0.343180 0.043 Uiso 1 1 calc R . . . .
C26 C 0.0398(3) 0.23969(19) 0.30435(18) 0.0317(8) Uani 1 1 d . . . . .
H26 H 0.013788 0.247832 0.261893 0.038 Uiso 1 1 calc R . . . .
C27 C 0.1060(3) 0.18757(17) 0.31746(16) 0.0238(7) Uani 1 1 d . . . . .
H27 H 0.124447 0.159934 0.284182 0.029 Uiso 1 1 calc R . . . .
C28 C 0.6873(3) 0.17184(16) 0.45298(15) 0.0206(6) Uani 1 1 d . . . . .
C29 C 0.6814(3) 0.11718(16) 0.49086(16) 0.0222(7) Uani 1 1 d . . . . .
H29 H 0.630679 0.084732 0.479394 0.027 Uiso 1 1 calc R . . . .
C30 C 0.7487(3) 0.10984(17) 0.54498(16) 0.0254(7) Uani 1 1 d . . . . .
H30 H 0.745626 0.071869 0.569638 0.030 Uiso 1 1 calc R . . . .
C31 C 0.8203(3) 0.15782(19) 0.56309(17) 0.0284(8) Uani 1 1 d . . . . .
H31 H 0.864677 0.153402 0.600983 0.034 Uiso 1 1 calc R . . . .
C32 C 0.8275(3) 0.2123(2) 0.52613(18) 0.0342(9) Uani 1 1 d . . . . .
H32 H 0.876729 0.245146 0.538663 0.041 Uiso 1 1 calc R . . . .
C33 C 0.7622(3) 0.21884(19) 0.47035(18) 0.0300(8) Uani 1 1 d . . . . .
H33 H 0.769063 0.255495 0.444228 0.036 Uiso 1 1 calc R . . . .
C34 C 0.6778(3) 0.12632(16) 0.32656(15) 0.0200(6) Uani 1 1 d . . . . .
C35 C 0.6294(3) 0.08145(17) 0.28516(16) 0.0254(7) Uani 1 1 d . . . . .
H35 H 0.554652 0.074623 0.284482 0.030 Uiso 1 1 calc R . . . .
C36 C 0.6907(3) 0.04666(17) 0.24482(17) 0.0303(8) Uani 1 1 d . . . . .
H36 H 0.657695 0.015930 0.216724 0.036 Uiso 1 1 calc R . . . .
C37 C 0.7993(3) 0.05660(17) 0.24544(18) 0.0311(8) Uani 1 1 d . . . . .
H37 H 0.840746 0.033059 0.217523 0.037 Uiso 1 1 calc R . . . .
C38 C 0.8474(3) 0.10075(19) 0.28667(18) 0.0317(8) Uani 1 1 d . . . . .
H38 H 0.922170 0.107312 0.287246 0.038 Uiso 1 1 calc R . . . .
C39 C 0.7874(3) 0.13557(18) 0.32722(17) 0.0268(7) Uani 1 1 d . . . . .
H39 H 0.821084 0.165823 0.355545 0.032 Uiso 1 1 calc R . . . .
C40 C 0.6126(2) 0.25573(16) 0.34914(16) 0.0218(6) Uani 1 1 d . . . . .
C41 C 0.6250(3) 0.26663(18) 0.28545(17) 0.0282(7) Uani 1 1 d . . . . .
H41 H 0.631795 0.231523 0.257355 0.034 Uiso 1 1 calc R . . . .
C42 C 0.6275(3) 0.3292(2) 0.2628(2) 0.0365(9) Uani 1 1 d . . . . .
H42 H 0.634065 0.336721 0.218888 0.044 Uiso 1 1 calc R . . . .
C43 C 0.6204(3) 0.38025(19) 0.3035(2) 0.0387(9) Uani 1 1 d . . . . .
H43 H 0.626482 0.422785 0.288028 0.046 Uiso 1 1 calc R . . . .
C44 C 0.6047(4) 0.37012(19) 0.3663(2) 0.0405(10) Uani 1 1 d . . . . .
H44 H 0.597881 0.405433 0.394103 0.049 Uiso 1 1 calc R . . . .
C45 C 0.5990(3) 0.30776(18) 0.38869(19) 0.0314(8) Uani 1 1 d . . . . .
H45 H 0.585536 0.300580 0.431812 0.038 Uiso 1 1 calc R . . . .
C46 C 0.4915(3) 0.3193(2) 0.59914(18) 0.0332(9) Uani 1 1 d . . . . .
C47 C 0.4892(3) 0.35635(18) 0.65260(18) 0.0301(8) Uani 1 1 d . . . . .
H47 H 0.433976 0.350462 0.680551 0.036 Uiso 1 1 calc R . . . .
C48 C 0.5666(4) 0.4021(2) 0.66612(19) 0.0396(10) Uani 1 1 d . . . . .
H48 H 0.560449 0.431005 0.700414 0.048 Uiso 1 1 calc R . . . .
C49 C 0.6539(5) 0.4055(3) 0.6291(3) 0.0681(18) Uani 1 1 d . . . . .
H49 H 0.706885 0.437369 0.637748 0.082 Uiso 1 1 calc R . . . .
C50 C 0.6640(5) 0.3628(3) 0.5796(3) 0.0695(18) Uani 1 1 d . . . . .
H50 H 0.725671 0.363559 0.556056 0.083 Uiso 1 1 calc R . . . .
C51 C 0.5834(4) 0.3188(3) 0.5648(2) 0.0579(14) Uani 1 1 d . . . . .
H51 H 0.590287 0.288567 0.531640 0.070 Uiso 1 1 calc R . . . .
C52 C 0.2646(3) 0.27579(17) 0.59798(15) 0.0220(7) Uani 1 1 d . . . . .
C53 C 0.1907(3) 0.22595(18) 0.59352(16) 0.0261(7) Uani 1 1 d . . . . .
H53 H 0.212283 0.183929 0.582614 0.031 Uiso 1 1 calc R . . . .
C54 C 0.0856(3) 0.2382(2) 0.60512(17) 0.0306(8) Uani 1 1 d . . . . .
H54 H 0.035095 0.204248 0.603008 0.037 Uiso 1 1 calc R . . . .
C55 C 0.0537(3) 0.2998(2) 0.61978(17) 0.0324(8) Uani 1 1 d . . . . .
H55 H -0.018355 0.307770 0.628109 0.039 Uiso 1 1 calc R . . . .
C56 C 0.1260(3) 0.34936(19) 0.62233(19) 0.0334(8) Uani 1 1 d . . . . .
H56 H 0.103370 0.391636 0.631476 0.040 Uiso 1 1 calc R . . . .
C57 C 0.2326(3) 0.33765(18) 0.61148(17) 0.0267(7) Uani 1 1 d . . . . .
H57 H 0.282733 0.371781 0.613350 0.032 Uiso 1 1 calc R . . . .
C58 C 0.4425(3) 0.19069(18) 0.63600(16) 0.0262(7) Uani 1 1 d . . . . .
C59 C 0.3788(3) 0.16824(19) 0.68261(17) 0.0295(8) Uani 1 1 d . . . . .
H59 H 0.309746 0.185709 0.686067 0.035 Uiso 1 1 calc R . . . .
C60 C 0.4159(3) 0.12053(19) 0.72393(18) 0.0330(8) Uani 1 1 d . . . . .
H60 H 0.371919 0.105147 0.755454 0.040 Uiso 1 1 calc R . . . .
C61 C 0.5164(3) 0.0952(2) 0.7195(2) 0.0383(9) Uani 1 1 d . . . . .
H61 H 0.540740 0.061564 0.747131 0.046 Uiso 1 1 calc R . . . .
C62 C 0.5819(4) 0.1191(2) 0.6747(2) 0.0422(10) Uani 1 1 d . . . . .
H62 H 0.651992 0.102675 0.672650 0.051 Uiso 1 1 calc R . . . .
C63 C 0.5455(3) 0.1664(2) 0.63312(19) 0.0365(9) Uani 1 1 d . . . . .
H63 H 0.590538 0.182569 0.602504 0.044 Uiso 1 1 calc R . . . .
Cl1S Cl 0.42495(10) 0.01900(7) 0.13829(7) 0.0626(3) Uani 1 1 d . . . . .
Cl2S Cl -0.0777(4) 0.3886(2) 0.5127(2) 0.1102(14) Uani 0.5 1 d . . P . .
Cl3S Cl 0.1274(5) 0.4381(3) 0.4883(2) 0.1244(17) Uani 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl2 2.3635(7) . ?
Os1 P1 2.3788(7) . ?
Os1 P2 2.3693(8) . ?
Os1 N1 2.078(3) . ?
Os1 C1 2.025(3) . ?
Os1 C9 2.096(3) . ?
Cl1 C8 1.749(3) . ?
P1 C10 1.840(3) . ?
P1 C16 1.835(3) . ?
P1 C22 1.827(3) . ?
P2 C28 1.832(3) . ?
P2 C34 1.835(3) . ?
P2 C40 1.828(3) . ?
P3 C2 1.779(3) . ?
P3 C46 1.792(4) . ?
P3 C52 1.804(3) . ?
P3 C58 1.806(4) . ?
N1 C3 1.365(4) . ?
N1 C7 1.359(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.367(5) . ?
C2 C3 1.458(5) . ?
C3 C4 1.384(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.396(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.382(5) . ?
C7 C8 1.449(5) . ?
C8 C9 1.345(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(5) . ?
C10 C15 1.390(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.390(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.380(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.380(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.401(4) . ?
C16 C21 1.398(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.390(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.379(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.397(5) . ?
C22 C27 1.393(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.388(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.385(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.398(5) . ?
C28 C33 1.392(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.386(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.383(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.384(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.398(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.393(5) . ?
C34 C39 1.392(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.391(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.382(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.380(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.384(5) . ?
C40 C45 1.387(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.391(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.375(6) . ?
C43 H43 0.9500 . ?
C43 C44 1.371(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.387(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.370(5) . ?
C46 C51 1.407(6) . ?
C47 H47 0.9500 . ?
C47 C48 1.379(5) . ?
C48 H48 0.9500 . ?
C48 C49 1.393(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.386(8) . ?
C50 H50 0.9500 . ?
C50 C51 1.387(7) . ?
C51 H51 0.9500 . ?
C52 C53 1.393(5) . ?
C52 C57 1.386(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.386(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.386(6) . ?
C55 H55 0.9500 . ?
C55 C56 1.375(6) . ?
C56 H56 0.9500 . ?
C56 C57 1.398(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.392(5) . ?
C58 C63 1.396(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.384(6) . ?
C60 H60 0.9500 . ?
C60 C61 1.379(6) . ?
C61 H61 0.9500 . ?
C61 C62 1.389(6) . ?
C62 H62 0.9500 . ?
C62 C63 1.380(6) . ?
C63 H63 0.9500 . ?

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
Cl2 Os1 P1 87.66(3) . . ?
Cl2 Os1 P2 90.25(3) . . ?
P2 Os1 P1 176.13(3) . . ?
N1 Os1 Cl2 173.96(7) . . ?
N1 Os1 P1 89.12(7) . . ?
N1 Os1 P2 93.25(7) . . ?
N1 Os1 C9 75.78(12) . . ?
C1 Os1 Cl2 99.79(10) . . ?
C1 Os1 P1 91.88(9) . . ?
C1 Os1 P2 91.68(9) . . ?
C1 Os1 N1 75.21(12) . . ?
C1 Os1 C9 150.94(14) . . ?
C9 Os1 Cl2 109.27(10) . . ?
C9 Os1 P1 89.32(9) . . ?
C9 Os1 P2 88.29(9) . . ?
C10 P1 Os1 116.03(10) . . ?
C16 P1 Os1 115.89(10) . . ?
C16 P1 C10 103.67(14) . . ?
C22 P1 Os1 112.82(10) . . ?
C22 P1 C10 103.42(14) . . ?
C22 P1 C16 103.42(14) . . ?
C28 P2 Os1 115.24(11) . . ?
C28 P2 C34 101.07(15) . . ?
C34 P2 Os1 118.15(11) . . ?
C40 P2 Os1 112.21(10) . . ?
C40 P2 C28 105.47(15) . . ?
C40 P2 C34 103.10(15) . . ?
C2 P3 C46 110.58(16) . . ?
C2 P3 C52 108.68(15) . . ?
C2 P3 C58 110.55(16) . . ?
C46 P3 C52 112.78(18) . . ?
C46 P3 C58 105.85(18) . . ?
C52 P3 C58 108.37(16) . . ?
C3 N1 Os1 119.6(2) . . ?
C7 N1 Os1 119.6(2) . . ?
C7 N1 C3 120.6(3) . . ?
Os1 C1 H1 119.9 . . ?
C2 C1 Os1 120.1(2) . . ?
C2 C1 H1 119.9 . . ?
C1 C2 P3 124.2(3) . . ?
C1 C2 C3 113.7(3) . . ?
C3 C2 P3 121.9(2) . . ?
N1 C3 C2 111.3(3) . . ?
N1 C3 C4 120.4(3) . . ?
C4 C3 C2 128.3(3) . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.8(4) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.2 . . ?
C5 C6 C7 119.6(4) . . ?
C7 C6 H6 120.2 . . ?
N1 C7 C6 120.5(3) . . ?
N1 C7 C8 110.9(3) . . ?
C6 C7 C8 128.6(3) . . ?
C7 C8 Cl1 117.8(3) . . ?
C9 C8 Cl1 124.4(3) . . ?
C9 C8 C7 117.8(3) . . ?
Os1 C9 H9 122.1 . . ?
C8 C9 Os1 115.7(2) . . ?
C8 C9 H9 122.1 . . ?
C11 C10 P1 119.9(2) . . ?
C11 C10 C15 118.5(3) . . ?
C15 C10 P1 121.6(2) . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 120.9(3) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.9(3) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.8(3) . . ?
C15 C14 H14 120.1 . . ?
C10 C15 C14 120.9(3) . . ?
C10 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C17 C16 P1 122.0(2) . . ?
C21 C16 P1 119.2(2) . . ?
C21 C16 C17 118.7(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.3(3) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(3) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.2(3) . . ?
C21 C20 H20 119.9 . . ?
C16 C21 H21 119.7 . . ?
C20 C21 C16 120.5(3) . . ?
C20 C21 H21 119.7 . . ?
C23 C22 P1 120.0(2) . . ?
C27 C22 P1 120.6(2) . . ?
C27 C22 C23 119.1(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.7(3) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.6 . . ?
C25 C26 C27 120.8(3) . . ?
C27 C26 H26 119.6 . . ?
C22 C27 H27 120.0 . . ?
C26 C27 C22 119.9(3) . . ?
C26 C27 H27 120.0 . . ?
C29 C28 P2 117.0(2) . . ?
C33 C28 P2 123.9(3) . . ?
C33 C28 C29 118.9(3) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.7(3) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.2(3) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C28 C33 C32 120.2(3) . . ?
C28 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 P2 121.6(3) . . ?
C39 C34 P2 118.9(3) . . ?
C39 C34 C35 119.4(3) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 C34 119.8(3) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.3(4) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 119.9(3) . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.4(4) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.9 . . ?
C38 C39 C34 120.1(4) . . ?
C38 C39 H39 119.9 . . ?
C41 C40 P2 121.1(3) . . ?
C41 C40 C45 119.0(3) . . ?
C45 C40 P2 119.6(3) . . ?
C40 C41 H41 120.1 . . ?
C40 C41 C42 119.7(4) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.4(4) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.4(4) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 120.4 . . ?
C43 C44 C45 119.3(4) . . ?
C45 C44 H44 120.4 . . ?
C40 C45 C44 121.0(4) . . ?
C40 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C47 C46 P3 122.2(3) . . ?
C47 C46 C51 119.6(4) . . ?
C51 C46 P3 115.9(3) . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C48 120.5(4) . . ?
C48 C47 H47 119.8 . . ?
C47 C48 H48 120.3 . . ?
C47 C48 C49 119.4(4) . . ?
C49 C48 H48 120.3 . . ?
C48 C49 H49 119.8 . . ?
C50 C49 C48 120.4(5) . . ?
C50 C49 H49 119.8 . . ?
C49 C50 H50 120.2 . . ?
C49 C50 C51 119.6(5) . . ?
C51 C50 H50 120.2 . . ?
C46 C51 H51 120.3 . . ?
C50 C51 C46 119.4(5) . . ?
C50 C51 H51 120.3 . . ?
C53 C52 P3 116.1(3) . . ?
C57 C52 P3 123.5(3) . . ?
C57 C52 C53 120.4(3) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 C52 119.4(3) . . ?
C54 C53 H53 120.3 . . ?
C53 C54 H54 119.9 . . ?
C53 C54 C55 120.3(4) . . ?
C55 C54 H54 119.9 . . ?
C54 C55 H55 119.9 . . ?
C56 C55 C54 120.3(3) . . ?
C56 C55 H55 119.9 . . ?
C55 C56 H56 119.9 . . ?
C55 C56 C57 120.1(4) . . ?
C57 C56 H56 119.9 . . ?
C52 C57 C56 119.4(3) . . ?
C52 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C59 C58 P3 121.8(3) . . ?
C59 C58 C63 119.3(4) . . ?
C63 C58 P3 118.8(3) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 C58 120.2(4) . . ?
C60 C59 H59 119.9 . . ?
C59 C60 H60 119.8 . . ?
C61 C60 C59 120.3(4) . . ?
C61 C60 H60 119.8 . . ?
C60 C61 H61 120.1 . . ?
C60 C61 C62 119.8(4) . . ?
C62 C61 H61 120.1 . . ?
C61 C62 H62 119.9 . . ?
C63 C62 C61 120.3(4) . . ?
C63 C62 H62 119.9 . . ?
C58 C63 H63 120.0 . . ?
C62 C63 C58 120.1(4) . . ?
C62 C63 H63 120.0 . . ?

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 C10 C11 170.8(2) . . . . ?
Os1 P1 C10 C15 -9.7(3) . . . . ?
Os1 P1 C16 C17 152.6(2) . . . . ?
Os1 P1 C16 C21 -28.2(3) . . . . ?
Os1 P1 C22 C23 -84.2(3) . . . . ?
Os1 P1 C22 C27 88.9(3) . . . . ?
Os1 P2 C28 C29 47.0(3) . . . . ?
Os1 P2 C28 C33 -137.1(3) . . . . ?
Os1 P2 C34 C35 11.4(3) . . . . ?
Os1 P2 C34 C39 -169.2(2) . . . . ?
Os1 P2 C40 C41 -98.5(3) . . . . ?
Os1 P2 C40 C45 75.2(3) . . . . ?
Os1 N1 C3 C2 2.0(4) . . . . ?
Os1 N1 C3 C4 -177.1(3) . . . . ?
Os1 N1 C7 C6 173.9(3) . . . . ?
Os1 N1 C7 C8 -5.0(3) . . . . ?
Os1 C1 C2 P3 175.27(16) . . . . ?
Os1 C1 C2 C3 -0.2(4) . . . . ?
Cl1 C8 C9 Os1 -178.78(18) . . . . ?
P1 C10 C11 C12 179.9(3) . . . . ?
P1 C10 C15 C14 -178.9(2) . . . . ?
P1 C16 C17 C18 179.8(2) . . . . ?
P1 C16 C21 C20 179.4(3) . . . . ?
P1 C22 C23 C24 175.9(3) . . . . ?
P1 C22 C27 C26 -175.1(3) . . . . ?
P2 C28 C29 C30 176.3(3) . . . . ?
P2 C28 C33 C32 -178.2(3) . . . . ?
P2 C34 C35 C36 179.1(3) . . . . ?
P2 C34 C39 C38 -178.9(3) . . . . ?
P2 C40 C41 C42 176.1(3) . . . . ?
P2 C40 C45 C44 -178.2(3) . . . . ?
P3 C2 C3 N1 -176.7(2) . . . . ?
P3 C2 C3 C4 2.3(5) . . . . ?
P3 C46 C47 C48 174.6(3) . . . . ?
P3 C46 C51 C50 -172.8(5) . . . . ?
P3 C52 C53 C54 179.4(3) . . . . ?
P3 C52 C57 C56 179.7(3) . . . . ?
P3 C58 C59 C60 -177.8(3) . . . . ?
P3 C58 C63 C62 177.6(3) . . . . ?
N1 C3 C4 C5 3.6(6) . . . . ?
N1 C7 C8 Cl1 -177.7(2) . . . . ?
N1 C7 C8 C9 2.4(4) . . . . ?
C1 C2 C3 N1 -1.2(4) . . . . ?
C1 C2 C3 C4 177.9(4) . . . . ?
C2 P3 C46 C47 166.0(4) . . . . ?
C2 P3 C46 C51 -31.5(4) . . . . ?
C2 P3 C52 C53 64.3(3) . . . . ?
C2 P3 C52 C57 -113.8(3) . . . . ?
C2 P3 C58 C59 -123.6(3) . . . . ?
C2 P3 C58 C63 61.2(3) . . . . ?
C2 C3 C4 C5 -175.4(4) . . . . ?
C3 N1 C7 C6 -1.6(5) . . . . ?
C3 N1 C7 C8 179.4(3) . . . . ?
C3 C4 C5 C6 -2.4(6) . . . . ?
C4 C5 C6 C7 -0.7(6) . . . . ?
C5 C6 C7 N1 2.7(5) . . . . ?
C5 C6 C7 C8 -178.5(4) . . . . ?
C6 C7 C8 Cl1 3.5(5) . . . . ?
C6 C7 C8 C9 -176.4(4) . . . . ?
C7 N1 C3 C2 177.6(3) . . . . ?
C7 N1 C3 C4 -1.5(5) . . . . ?
C7 C8 C9 Os1 1.1(4) . . . . ?
C10 P1 C16 C17 -79.1(3) . . . . ?
C10 P1 C16 C21 100.1(3) . . . . ?
C10 P1 C22 C23 149.6(3) . . . . ?
C10 P1 C22 C27 -37.2(3) . . . . ?
C10 C11 C12 C13 -0.9(5) . . . . ?
C11 C10 C15 C14 0.6(5) . . . . ?
C11 C12 C13 C14 0.5(5) . . . . ?
C12 C13 C14 C15 0.5(5) . . . . ?
C13 C14 C15 C10 -1.0(5) . . . . ?
C15 C10 C11 C12 0.3(5) . . . . ?
C16 P1 C10 C11 42.6(3) . . . . ?
C16 P1 C10 C15 -137.9(3) . . . . ?
C16 P1 C22 C23 41.7(3) . . . . ?
C16 P1 C22 C27 -145.1(3) . . . . ?
C16 C17 C18 C19 0.4(5) . . . . ?
C17 C16 C21 C20 -1.4(5) . . . . ?
C17 C18 C19 C20 -0.6(5) . . . . ?
C18 C19 C20 C21 -0.2(5) . . . . ?
C19 C20 C21 C16 1.2(5) . . . . ?
C21 C16 C17 C18 0.6(5) . . . . ?
C22 P1 C10 C11 -65.1(3) . . . . ?
C22 P1 C10 C15 114.4(3) . . . . ?
C22 P1 C16 C17 28.6(3) . . . . ?
C22 P1 C16 C21 -152.2(2) . . . . ?
C22 C23 C24 C25 -0.9(6) . . . . ?
C23 C22 C27 C26 -1.8(5) . . . . ?
C23 C24 C25 C26 -1.7(6) . . . . ?
C24 C25 C26 C27 2.5(6) . . . . ?
C25 C26 C27 C22 -0.7(6) . . . . ?
C27 C22 C23 C24 2.6(5) . . . . ?
C28 P2 C34 C35 138.0(3) . . . . ?
C28 P2 C34 C39 -42.5(3) . . . . ?
C28 P2 C40 C41 135.3(3) . . . . ?
C28 P2 C40 C45 -51.0(3) . . . . ?
C28 C29 C30 C31 2.1(5) . . . . ?
C29 C28 C33 C32 -2.4(5) . . . . ?
C29 C30 C31 C32 -2.2(5) . . . . ?
C30 C31 C32 C33 0.0(6) . . . . ?
C31 C32 C33 C28 2.3(6) . . . . ?
C33 C28 C29 C30 0.2(5) . . . . ?
C34 P2 C28 C29 -81.6(3) . . . . ?
C34 P2 C28 C33 94.3(3) . . . . ?
C34 P2 C40 C41 29.7(3) . . . . ?
C34 P2 C40 C45 -156.6(3) . . . . ?
C34 C35 C36 C37 -0.3(5) . . . . ?
C35 C34 C39 C38 0.5(5) . . . . ?
C35 C36 C37 C38 0.6(5) . . . . ?
C36 C37 C38 C39 -0.4(5) . . . . ?
C37 C38 C39 C34 -0.1(5) . . . . ?
C39 C34 C35 C36 -0.3(5) . . . . ?
C40 P2 C28 C29 171.4(3) . . . . ?
C40 P2 C28 C33 -12.8(3) . . . . ?
C40 P2 C34 C35 -113.0(3) . . . . ?
C40 P2 C34 C39 66.4(3) . . . . ?
C40 C41 C42 C43 1.7(6) . . . . ?
C41 C40 C45 C44 -4.3(6) . . . . ?
C41 C42 C43 C44 -3.8(6) . . . . ?
C42 C43 C44 C45 1.8(6) . . . . ?
C43 C44 C45 C40 2.3(6) . . . . ?
C45 C40 C41 C42 2.3(5) . . . . ?
C46 P3 C2 C1 117.7(3) . . . . ?
C46 P3 C2 C3 -67.3(3) . . . . ?
C46 P3 C52 C53 -172.8(3) . . . . ?
C46 P3 C52 C57 9.2(4) . . . . ?
C46 P3 C58 C59 116.6(3) . . . . ?
C46 P3 C58 C63 -58.6(3) . . . . ?
C46 C47 C48 C49 -7.3(7) . . . . ?
C47 C46 C51 C50 -9.8(8) . . . . ?
C47 C48 C49 C50 -1.0(9) . . . . ?
C48 C49 C50 C51 3.8(11) . . . . ?
C49 C50 C51 C46 1.6(10) . . . . ?
C51 C46 C47 C48 12.7(7) . . . . ?
C52 P3 C2 C1 -118.0(3) . . . . ?
C52 P3 C2 C3 57.0(3) . . . . ?
C52 P3 C46 C47 44.0(4) . . . . ?
C52 P3 C46 C51 -153.4(4) . . . . ?
C52 P3 C58 C59 -4.6(3) . . . . ?
C52 P3 C58 C63 -179.8(3) . . . . ?
C52 C53 C54 C55 1.3(5) . . . . ?
C53 C52 C57 C56 1.7(5) . . . . ?
C53 C54 C55 C56 0.6(6) . . . . ?
C54 C55 C56 C57 -1.4(6) . . . . ?
C55 C56 C57 C52 0.2(6) . . . . ?
C57 C52 C53 C54 -2.5(5) . . . . ?
C58 P3 C2 C1 0.8(3) . . . . ?
C58 P3 C2 C3 175.9(3) . . . . ?
C58 P3 C46 C47 -74.3(4) . . . . ?
C58 P3 C46 C51 88.3(4) . . . . ?
C58 P3 C52 C53 -55.9(3) . . . . ?
C58 P3 C52 C57 126.0(3) . . . . ?
C58 C59 C60 C61 0.5(6) . . . . ?
C59 C58 C63 C62 2.3(6) . . . . ?
C59 C60 C61 C62 1.9(6) . . . . ?
C60 C61 C62 C63 -2.2(7) . . . . ?
C61 C62 C63 C58 0.1(7) . . . . ?
C63 C58 C59 C60 -2.6(5) . . . . ?

_smtbx_masks_special_details     ?
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 0.000 175.9 49.2 ?
2 -0.500 0.500 0.500 175.9 49.2 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Int1'
_database_code_depnum_ccdc_archive 'CCDC 2314895'
loop_
_audit_author_name
_audit_author_address
'Complex Intone'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-12-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H50 Cl N O Os P3, 3(C H2 Cl2), C24 H20 B'
_chemical_formula_sum            'C91 H76 B Cl7 N O Os P3'
_chemical_formula_weight         1741.59
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.0545(4)
_cell_length_b                   17.0441(5)
_cell_length_c                   17.7828(6)
_cell_angle_alpha                78.0980(10)
_cell_angle_beta                 81.6520(10)
_cell_angle_gamma                70.8870(10)
_cell_volume                     3924.5(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9610
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      72.13
_cell_measurement_theta_min      4.37
_shelx_estimated_absorpt_T_max   0.455
_shelx_estimated_absorpt_T_min   0.369
_exptl_absorpt_coefficient_mu    6.221
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.4050
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1436 before and 0.0854 after correction.
The Ratio of minimum to maximum transmission is 0.5374.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1764
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            76359
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.146
_diffrn_reflns_theta_min         2.784
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15355
_reflns_number_total             15401
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_refine_diff_density_max         1.933
_refine_diff_density_min         -1.634
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         15401
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0521P)²+8.2818P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.0958
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C9) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB), C2S(H2SA,H2SB), C3S(H3SA,H3SB)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C42(H42), C43(H43),
  C44(H44), C45(H45), C46(H46), C48(H48), C49(H49), C50(H50), C51(H51),
 C52(H52), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C60(H60), C61(H61),
  C62(H62), C63(H63), C64(H64), C66(H66), C67(H67), C68(H68), C69(H69),
 C70(H70), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C78(H78), C79(H79),
  C80(H80), C81(H81), C82(H82), C84(H84), C85(H85), C86(H86), C87(H87), C88(H88)
3.c :
 C9(H9)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.63005(2) 0.24644(2) 0.37236(2) 0.00917(5) Uani 1 1 d . . . . .
Cl1 Cl 0.56131(5) 0.26788(4) 0.50237(4) 0.01470(13) Uani 1 1 d . . . . .
Cl1S Cl 0.70913(9) 0.04389(6) 0.04340(5) 0.0429(2) Uani 1 1 d . . . . .
Cl2S Cl 0.68621(7) -0.09978(5) 0.15938(5) 0.03585(19) Uani 1 1 d . . . . .
Cl3S Cl 0.41909(8) 0.11010(6) 0.01902(6) 0.0406(2) Uani 1 1 d . . . . .
Cl4S Cl 0.36124(12) 0.06514(9) 0.18198(7) 0.0645(3) Uani 1 1 d . . . . .
Cl5S Cl 0.40125(8) 0.11135(6) 0.61114(5) 0.0385(2) Uani 1 1 d . . . . .
Cl6S Cl 0.46087(10) 0.20310(8) 0.70786(6) 0.0547(3) Uani 1 1 d . . . . .
P1 P 0.48270(5) 0.34389(4) 0.31741(4) 0.01072(14) Uani 1 1 d . . . . .
P2 P 0.77480(5) 0.14208(4) 0.42742(4) 0.01164(14) Uani 1 1 d . . . . .
P3 P 0.80994(5) 0.43934(4) 0.28282(4) 0.01033(13) Uani 1 1 d . . . . .
O1 O 0.51400(19) 0.12228(16) 0.37915(15) 0.0311(5) Uani 1 1 d . . . . .
N1 N 0.70566(17) 0.24973(14) 0.26147(13) 0.0116(4) Uani 1 1 d . . . . .
C1 C 0.6963(2) 0.33957(17) 0.36487(16) 0.0105(5) Uani 1 1 d . . . . .
H1 H 0.692376 0.366062 0.407774 0.013 Uiso 1 1 calc R U . . .
C1S C 0.7700(3) -0.0423(2) 0.1125(2) 0.0323(8) Uani 1 1 d . . . . .
H1SA H 0.794718 -0.021319 0.151369 0.039 Uiso 1 1 calc R U . . .
H1SB H 0.829197 -0.080269 0.086622 0.039 Uiso 1 1 calc R U . . .
C2 C 0.7455(2) 0.36157(17) 0.29683(16) 0.0107(5) Uani 1 1 d . . . . .
C2S C 0.4182(4) 0.0262(3) 0.0965(3) 0.0563(13) Uani 1 1 d . . . . .
H2SA H 0.380543 -0.008610 0.083671 0.068 Uiso 1 1 calc R U . . .
H2SB H 0.488413 -0.010045 0.104359 0.068 Uiso 1 1 calc R U . . .
C3 C 0.7516(2) 0.31206(17) 0.23693(15) 0.0112(5) Uani 1 1 d . . . . .
C3S C 0.5028(3) 0.1219(2) 0.6525(2) 0.0337(8) Uani 1 1 d . . . . .
H3SA H 0.535729 0.068139 0.685652 0.040 Uiso 1 1 calc R U . . .
H3SB H 0.553629 0.134224 0.611009 0.040 Uiso 1 1 calc R U . . .
C4 C 0.7998(2) 0.3227(2) 0.16362(17) 0.0171(6) Uani 1 1 d . . . . .
H4 H 0.828502 0.367354 0.147865 0.021 Uiso 1 1 calc R U . . .
C5 C 0.8065(2) 0.2690(2) 0.11308(17) 0.0214(6) Uani 1 1 d . . . . .
H5 H 0.839834 0.275934 0.062848 0.026 Uiso 1 1 calc R U . . .
C6 C 0.7634(2) 0.2049(2) 0.13771(18) 0.0203(6) Uani 1 1 d . . . . .
H6 H 0.767800 0.166461 0.104574 0.024 Uiso 1 1 calc R U . . .
C7 C 0.7135(2) 0.19677(18) 0.21113(18) 0.0164(6) Uani 1 1 d . . . . .
C8 C 0.6743(3) 0.1276(2) 0.2345(2) 0.0282(7) Uani 1 1 d . . . . .
C9 C 0.6420(4) 0.0680(3) 0.2426(3) 0.0462(10) Uani 1 1 d . U . . .
H9 H 0.616872 0.021435 0.248901 0.055 Uiso 1 1 calc R U . . .
C10 C 0.5611(2) 0.1644(2) 0.37531(19) 0.0201(6) Uani 1 1 d . . . . .
C11 C 0.3598(2) 0.32916(17) 0.35538(16) 0.0129(5) Uani 1 1 d . . . . .
C12 C 0.3470(2) 0.28022(19) 0.42737(17) 0.0174(6) Uani 1 1 d . . . . .
H12 H 0.403515 0.250707 0.456485 0.021 Uiso 1 1 calc R U . . .
C13 C 0.2515(2) 0.2747(2) 0.45636(19) 0.0214(6) Uani 1 1 d . . . . .
H13 H 0.243187 0.241034 0.505047 0.026 Uiso 1 1 calc R U . . .
C14 C 0.1687(2) 0.3180(2) 0.4148(2) 0.0224(6) Uani 1 1 d . . . . .
H14 H 0.103651 0.314106 0.434969 0.027 Uiso 1 1 calc R U . . .
C15 C 0.1804(2) 0.3673(2) 0.34337(19) 0.0192(6) Uani 1 1 d . . . . .
H15 H 0.123371 0.397041 0.314866 0.023 Uiso 1 1 calc R U . . .
C16 C 0.2750(2) 0.37303(19) 0.31377(17) 0.0163(6) Uani 1 1 d . . . . .
H16 H 0.282543 0.406835 0.265010 0.020 Uiso 1 1 calc R U . . .
C17 C 0.4871(2) 0.33747(18) 0.21551(16) 0.0145(5) Uani 1 1 d . . . . .
C18 C 0.4510(3) 0.2793(2) 0.19426(19) 0.0241(7) Uani 1 1 d . . . . .
H18 H 0.417284 0.247125 0.232121 0.029 Uiso 1 1 calc R U . . .
C19 C 0.4638(3) 0.2677(2) 0.1177(2) 0.0328(8) Uani 1 1 d . . . . .
H19 H 0.437750 0.228412 0.103651 0.039 Uiso 1 1 calc R U . . .
C20 C 0.5141(3) 0.3129(2) 0.06206(19) 0.0311(8) Uani 1 1 d . . . . .
H20 H 0.522690 0.304608 0.009993 0.037 Uiso 1 1 calc R U . . .
C21 C 0.5516(2) 0.3700(2) 0.08239(18) 0.0252(7) Uani 1 1 d . . . . .
H21 H 0.586763 0.400901 0.044465 0.030 Uiso 1 1 calc R U . . .
C22 C 0.5380(2) 0.3825(2) 0.15859(17) 0.0184(6) Uani 1 1 d . . . . .
H22 H 0.563784 0.422260 0.172182 0.022 Uiso 1 1 calc R U . . .
C23 C 0.4550(2) 0.45570(17) 0.32092(16) 0.0126(5) Uani 1 1 d . . . . .
C24 C 0.4807(2) 0.47781(18) 0.38432(16) 0.0143(5) Uani 1 1 d . . . . .
H24 H 0.518027 0.435319 0.422055 0.017 Uiso 1 1 calc R U . . .
C25 C 0.4519(2) 0.56250(19) 0.39290(17) 0.0177(6) Uani 1 1 d . . . . .
H25 H 0.469652 0.577314 0.436413 0.021 Uiso 1 1 calc R U . . .
C26 C 0.3976(2) 0.62470(19) 0.33803(18) 0.0188(6) Uani 1 1 d . . . . .
H26 H 0.378581 0.682171 0.343683 0.023 Uiso 1 1 calc R U . . .
C27 C 0.3709(2) 0.60294(19) 0.27469(18) 0.0201(6) Uani 1 1 d . . . . .
H27 H 0.333183 0.645588 0.237298 0.024 Uiso 1 1 calc R U . . .
C28 C 0.3993(2) 0.51908(19) 0.26593(17) 0.0170(6) Uani 1 1 d . . . . .
H28 H 0.380897 0.504533 0.222538 0.020 Uiso 1 1 calc R U . . .
C29 C 0.7503(2) 0.06133(18) 0.50682(16) 0.0152(6) Uani 1 1 d . . . . .
C30 C 0.6880(3) 0.0159(2) 0.49733(19) 0.0229(7) Uani 1 1 d . . . . .
H30 H 0.655621 0.029282 0.450952 0.027 Uiso 1 1 calc R U . . .
C31 C 0.6724(3) -0.0486(2) 0.5546(2) 0.0267(7) Uani 1 1 d . . . . .
H31 H 0.630325 -0.079484 0.546895 0.032 Uiso 1 1 calc R U . . .
C32 C 0.7180(3) -0.0682(2) 0.62294(19) 0.0259(7) Uani 1 1 d . . . . .
H32 H 0.707021 -0.112160 0.662221 0.031 Uiso 1 1 calc R U . . .
C33 C 0.7793(3) -0.0234(2) 0.63364(18) 0.0245(7) Uani 1 1 d . . . . .
H33 H 0.810229 -0.036517 0.680633 0.029 Uiso 1 1 calc R U . . .
C34 C 0.7964(2) 0.04125(19) 0.57573(17) 0.0191(6) Uani 1 1 d . . . . .
H34 H 0.839365 0.071399 0.583379 0.023 Uiso 1 1 calc R U . . .
C35 C 0.8592(2) 0.17960(18) 0.47022(16) 0.0147(5) Uani 1 1 d . . . . .
C36 C 0.8160(2) 0.23709(19) 0.52083(17) 0.0171(6) Uani 1 1 d . . . . .
H36 H 0.744674 0.260759 0.527146 0.020 Uiso 1 1 calc R U . . .
C37 C 0.8769(3) 0.2599(2) 0.56200(18) 0.0216(6) Uani 1 1 d . . . . .
H37 H 0.846986 0.297667 0.597435 0.026 Uiso 1 1 calc R U . . .
C38 C 0.9815(3) 0.2274(2) 0.55138(19) 0.0256(7) Uani 1 1 d . . . . .
H38 H 1.023070 0.243435 0.579106 0.031 Uiso 1 1 calc R U . . .
C39 C 1.0251(2) 0.1715(2) 0.5002(2) 0.0267(7) Uani 1 1 d . . . . .
H39 H 1.096609 0.150255 0.492094 0.032 Uiso 1 1 calc R U . . .
C40 C 0.9649(2) 0.1464(2) 0.46073(18) 0.0201(6) Uani 1 1 d . . . . .
H40 H 0.995286 0.106578 0.427158 0.024 Uiso 1 1 calc R U . . .
C41 C 0.8593(2) 0.08020(19) 0.35756(17) 0.0181(6) Uani 1 1 d . . . . .
C42 C 0.9127(2) 0.1211(2) 0.29890(18) 0.0200(6) Uani 1 1 d . . . . .
H42 H 0.906104 0.178568 0.297774 0.024 Uiso 1 1 calc R U . . .
C43 C 0.9753(3) 0.0792(2) 0.24228(19) 0.0283(8) Uani 1 1 d . . . . .
H43 H 1.011663 0.107815 0.203227 0.034 Uiso 1 1 calc R U . . .
C44 C 0.9847(3) -0.0041(2) 0.2427(2) 0.0402(10) Uani 1 1 d . . . . .
H44 H 1.026551 -0.032619 0.203416 0.048 Uiso 1 1 calc R U . . .
C45 C 0.9326(4) -0.0462(2) 0.3009(2) 0.0468(12) Uani 1 1 d . . . . .
H45 H 0.939822 -0.103766 0.301869 0.056 Uiso 1 1 calc R U . . .
C46 C 0.8700(3) -0.0039(2) 0.3576(2) 0.0343(9) Uani 1 1 d . . . . .
H46 H 0.834200 -0.032830 0.396900 0.041 Uiso 1 1 calc R U . . .
C47 C 0.8024(2) 0.47212(18) 0.37376(16) 0.0131(5) Uani 1 1 d . . . . .
C48 C 0.7149(2) 0.5340(2) 0.39545(18) 0.0181(6) Uani 1 1 d . . . . .
H48 H 0.663483 0.560520 0.360958 0.022 Uiso 1 1 calc R U . . .
C49 C 0.7035(3) 0.5565(2) 0.46776(19) 0.0230(7) Uani 1 1 d . . . . .
H49 H 0.643781 0.597806 0.483246 0.028 Uiso 1 1 calc R U . . .
C50 C 0.7794(3) 0.5186(2) 0.51720(18) 0.0241(7) Uani 1 1 d . . . . .
H50 H 0.771118 0.533744 0.566814 0.029 Uiso 1 1 calc R U . . .
C51 C 0.8675(3) 0.4588(2) 0.49506(18) 0.0227(6) Uani 1 1 d . . . . .
H51 H 0.919903 0.434177 0.528918 0.027 Uiso 1 1 calc R U . . .
C52 C 0.8791(2) 0.43496(19) 0.42289(17) 0.0182(6) Uani 1 1 d . . . . .
H52 H 0.938972 0.393643 0.407571 0.022 Uiso 1 1 calc R U . . .
C53 C 0.9391(2) 0.39031(18) 0.24896(16) 0.0132(5) Uani 1 1 d . . . . .
C54 C 0.9910(2) 0.4264(2) 0.18575(17) 0.0189(6) Uani 1 1 d . . . . .
H54 H 0.961682 0.482768 0.161395 0.023 Uiso 1 1 calc R U . . .
C55 C 1.0859(3) 0.3793(2) 0.15867(19) 0.0277(7) Uani 1 1 d . . . . .
H55 H 1.121712 0.403883 0.115922 0.033 Uiso 1 1 calc R U . . .
C56 C 1.1288(3) 0.2970(2) 0.1933(2) 0.0289(7) Uani 1 1 d . . . . .
H56 H 1.192855 0.264775 0.173162 0.035 Uiso 1 1 calc R U . . .
C57 C 1.0788(2) 0.2610(2) 0.2573(2) 0.0235(7) Uani 1 1 d . . . . .
H57 H 1.109071 0.204793 0.281636 0.028 Uiso 1 1 calc R U . . .
C58 C 0.9846(2) 0.30765(19) 0.28559(17) 0.0170(6) Uani 1 1 d . . . . .
H58 H 0.950640 0.283576 0.329908 0.020 Uiso 1 1 calc R U . . .
C59 C 0.7485(2) 0.53340(18) 0.21847(16) 0.0133(5) Uani 1 1 d . . . . .
C60 C 0.6521(2) 0.54343(19) 0.19971(17) 0.0177(6) Uani 1 1 d . . . . .
H60 H 0.623768 0.498513 0.215476 0.021 Uiso 1 1 calc R U . . .
C61 C 0.5972(2) 0.6191(2) 0.15791(19) 0.0233(7) Uani 1 1 d . . . . .
H61 H 0.531410 0.625888 0.144941 0.028 Uiso 1 1 calc R U . . .
C62 C 0.6384(3) 0.6844(2) 0.13528(19) 0.0231(7) Uani 1 1 d . . . . .
H62 H 0.601199 0.735771 0.105981 0.028 Uiso 1 1 calc R U . . .
C63 C 0.7339(3) 0.6753(2) 0.15513(18) 0.0220(6) Uani 1 1 d . . . . .
H63 H 0.761308 0.720845 0.139823 0.026 Uiso 1 1 calc R U . . .
C64 C 0.7895(2) 0.60043(19) 0.19709(17) 0.0180(6) Uani 1 1 d . . . . .
H64 H 0.854485 0.594533 0.211182 0.022 Uiso 1 1 calc R U . . .
C65 C 0.8575(2) 0.3759(2) -0.08094(16) 0.0176(6) Uani 1 1 d . . . . .
C66 C 0.7624(3) 0.4282(2) -0.1031(2) 0.0259(7) Uani 1 1 d . . . . .
H66 H 0.732340 0.412558 -0.139906 0.031 Uiso 1 1 calc R U . . .
C67 C 0.7093(3) 0.5023(2) -0.0741(2) 0.0298(7) Uani 1 1 d . . . . .
H67 H 0.645534 0.535802 -0.091942 0.036 Uiso 1 1 calc R U . . .
C68 C 0.7491(3) 0.5268(2) -0.01970(19) 0.0264(7) Uani 1 1 d . . . . .
H68 H 0.712605 0.576076 0.001410 0.032 Uiso 1 1 calc R U . . .
C69 C 0.8430(3) 0.4780(2) 0.00335(19) 0.0280(7) Uani 1 1 d . . . . .
H69 H 0.872004 0.494314 0.040276 0.034 Uiso 1 1 calc R U . . .
C70 C 0.8962(3) 0.4047(2) -0.02694(19) 0.0236(7) Uani 1 1 d . . . . .
H70 H 0.961160 0.373102 -0.010349 0.028 Uiso 1 1 calc R U . . .
C71 C 0.9845(2) 0.31540(19) -0.19873(16) 0.0167(6) Uani 1 1 d . . . . .
C72 C 0.9518(2) 0.3923(2) -0.24915(18) 0.0195(6) Uani 1 1 d . . . . .
H72 H 0.891588 0.433647 -0.234387 0.023 Uiso 1 1 calc R U . . .
C73 C 1.0042(2) 0.4103(2) -0.32004(17) 0.0202(6) Uani 1 1 d . . . . .
H73 H 0.979314 0.463131 -0.352413 0.024 Uiso 1 1 calc R U . . .
C74 C 1.0923(2) 0.3517(2) -0.34355(17) 0.0213(6) Uani 1 1 d . . . . .
H74 H 1.128066 0.363720 -0.391888 0.026 Uiso 1 1 calc R U . . .
C75 C 1.1275(2) 0.2751(2) -0.29532(19) 0.0217(6) Uani 1 1 d . . . . .
H75 H 1.188252 0.234454 -0.310263 0.026 Uiso 1 1 calc R U . . .
C76 C 1.0739(2) 0.2578(2) -0.22494(18) 0.0196(6) Uani 1 1 d . . . . .
H76 H 1.098955 0.204548 -0.193246 0.024 Uiso 1 1 calc R U . . .
C77 C 0.9892(2) 0.2187(2) -0.05674(17) 0.0206(6) Uani 1 1 d . . . . .
C78 C 0.9707(3) 0.1433(2) -0.02030(18) 0.0247(7) Uani 1 1 d . . . . .
H78 H 0.915585 0.130395 -0.034506 0.030 Uiso 1 1 calc R U . . .
C79 C 1.0299(3) 0.0863(2) 0.0360(2) 0.0331(8) Uani 1 1 d . . . . .
H79 H 1.014923 0.035856 0.059272 0.040 Uiso 1 1 calc R U . . .
C80 C 1.1107(3) 0.1036(3) 0.0580(2) 0.0369(9) Uani 1 1 d . . . . .
H80 H 1.150516 0.065697 0.096982 0.044 Uiso 1 1 calc R U . . .
C81 C 1.1328(3) 0.1764(3) 0.0227(2) 0.0346(9) Uani 1 1 d . . . . .
H81 H 1.188307 0.188580 0.037083 0.041 Uiso 1 1 calc R U . . .
C82 C 1.0737(3) 0.2320(2) -0.0337(2) 0.0278(7) Uani 1 1 d . . . . .
H82 H 1.091036 0.281206 -0.057947 0.033 Uiso 1 1 calc R U . . .
C83 C 0.8339(2) 0.25061(19) -0.14233(17) 0.0176(6) Uani 1 1 d . . . . .
C84 C 0.7485(2) 0.2434(2) -0.09297(18) 0.0214(6) Uani 1 1 d . . . . .
H84 H 0.735931 0.264896 -0.046069 0.026 Uiso 1 1 calc R U . . .
C85 C 0.6815(3) 0.2060(2) -0.1098(2) 0.0251(7) Uani 1 1 d . . . . .
H85 H 0.624458 0.202756 -0.074869 0.030 Uiso 1 1 calc R U . . .
C86 C 0.6979(3) 0.1733(2) -0.1779(2) 0.0260(7) Uani 1 1 d . . . . .
H86 H 0.652806 0.147203 -0.189550 0.031 Uiso 1 1 calc R U . . .
C87 C 0.7809(3) 0.1796(2) -0.2282(2) 0.0251(7) Uani 1 1 d . . . . .
H87 H 0.792710 0.158002 -0.275091 0.030 Uiso 1 1 calc R U . . .
C88 C 0.8474(2) 0.21734(19) -0.21063(18) 0.0199(6) Uani 1 1 d . . . . .
H88 H 0.903881 0.220731 -0.246144 0.024 Uiso 1 1 calc R U . . .
B1 B 0.9166(3) 0.2902(2) -0.11920(19) 0.0168(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.4249(6) . ?
Os1 P1 2.3808(7) . ?
Os1 P2 2.3982(7) . ?
Os1 N1 2.099(2) . ?
Os1 C1 2.061(3) . ?
Os1 C10 1.934(3) . ?
Cl1S C1S 1.772(4) . ?
Cl2S C1S 1.782(4) . ?
Cl3S C2S 1.771(5) . ?
Cl4S C2S 1.763(5) . ?
Cl5S C3S 1.772(4) . ?
Cl6S C3S 1.758(4) . ?
P1 C11 1.838(3) . ?
P1 C17 1.829(3) . ?
P1 C23 1.828(3) . ?
P2 C29 1.837(3) . ?
P2 C35 1.832(3) . ?
P2 C41 1.832(3) . ?
P3 C2 1.796(3) . ?
P3 C47 1.795(3) . ?
P3 C53 1.803(3) . ?
P3 C59 1.802(3) . ?
O1 C10 1.111(4) . ?
N1 C3 1.382(3) . ?
N1 C7 1.366(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.350(4) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2 C3 1.467(4) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3 C4 1.385(4) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4 H4 0.9500 . ?
C4 C5 1.383(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.392(4) . ?
C7 C8 1.423(4) . ?
C8 C9 1.217(6) . ?
C9 H9 0.9500 . ?
C11 C12 1.399(4) . ?
C11 C16 1.405(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.392(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.381(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.391(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.383(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(4) . ?
C17 C22 1.398(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.376(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.388(4) . ?
C23 C28 1.403(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.400(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.385(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.388(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.392(4) . ?
C29 C34 1.397(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.377(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.403(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.398(4) . ?
C35 C40 1.404(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.391(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.390(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.387(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.398(4) . ?
C41 C46 1.391(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.387(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.381(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.392(6) . ?
C45 H45 0.9500 . ?
C45 C46 1.393(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.398(4) . ?
C47 C52 1.388(4) . ?
C48 H48 0.9500 . ?
C48 C49 1.389(4) . ?
C49 H49 0.9500 . ?
C49 C50 1.384(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.387(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.397(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.395(4) . ?
C53 C58 1.404(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.388(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.381(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.388(5) . ?
C57 H57 0.9500 . ?
C57 C58 1.386(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.390(4) . ?
C59 C64 1.403(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.390(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.380(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.390(5) . ?
C63 H63 0.9500 . ?
C63 C64 1.386(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.402(4) . ?
C65 C70 1.407(4) . ?
C65 B1 1.655(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.399(5) . ?
C67 H67 0.9500 . ?
C67 C68 1.378(5) . ?
C68 H68 0.9500 . ?
C68 C69 1.378(5) . ?
C69 H69 0.9500 . ?
C69 C70 1.399(5) . ?
C70 H70 0.9500 . ?
C71 C72 1.405(4) . ?
C71 C76 1.404(4) . ?
C71 B1 1.650(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.395(4) . ?
C73 H73 0.9500 . ?
C73 C74 1.386(5) . ?
C74 H74 0.9500 . ?
C74 C75 1.386(5) . ?
C75 H75 0.9500 . ?
C75 C76 1.393(4) . ?
C76 H76 0.9500 . ?
C77 C78 1.402(5) . ?
C77 C82 1.409(5) . ?
C77 B1 1.648(4) . ?
C78 H78 0.9500 . ?
C78 C79 1.397(5) . ?
C79 H79 0.9500 . ?
C79 C80 1.387(6) . ?
C80 H80 0.9500 . ?
C80 C81 1.380(6) . ?
C81 H81 0.9500 . ?
C81 C82 1.389(5) . ?
C82 H82 0.9500 . ?
C83 C84 1.405(4) . ?
C83 C88 1.407(4) . ?
C83 B1 1.656(4) . ?
C84 H84 0.9500 . ?
C84 C85 1.391(5) . ?
C85 H85 0.9500 . ?
C85 C86 1.394(5) . ?
C86 H86 0.9500 . ?
C86 C87 1.383(5) . ?
C87 H87 0.9500 . ?
C87 C88 1.396(5) . ?
C88 H88 0.9500 . ?

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
P1 Os1 Cl1 92.63(2) . . ?
P1 Os1 P2 176.82(2) . . ?
P2 Os1 Cl1 87.78(2) . . ?
N1 Os1 Cl1 166.26(7) . . ?
N1 Os1 P1 88.68(6) . . ?
N1 Os1 P2 91.67(6) . . ?
C1 Os1 Cl1 89.31(8) . . ?
C1 Os1 P1 92.21(7) . . ?
C1 Os1 P2 90.95(7) . . ?
C1 Os1 N1 76.96(10) . . ?
C10 Os1 Cl1 91.50(10) . . ?
C10 Os1 P1 84.07(9) . . ?
C10 Os1 P2 92.77(9) . . ?
C10 Os1 N1 102.24(12) . . ?
C10 Os1 C1 176.22(11) . . ?
C11 P1 Os1 118.01(9) . . ?
C17 P1 Os1 110.23(9) . . ?
C17 P1 C11 102.15(13) . . ?
C17 P1 C23 105.69(13) . . ?
C23 P1 Os1 118.53(9) . . ?
C23 P1 C11 100.33(13) . . ?
C29 P2 Os1 116.82(10) . . ?
C35 P2 Os1 117.08(10) . . ?
C35 P2 C29 101.05(13) . . ?
C35 P2 C41 103.52(14) . . ?
C41 P2 Os1 113.12(9) . . ?
C41 P2 C29 103.33(14) . . ?
C2 P3 C53 107.24(13) . . ?
C2 P3 C59 112.04(13) . . ?
C47 P3 C2 107.91(13) . . ?
C47 P3 C53 111.48(13) . . ?
C47 P3 C59 105.40(13) . . ?
C59 P3 C53 112.73(13) . . ?
C3 N1 Os1 116.57(18) . . ?
C7 N1 Os1 126.53(19) . . ?
C7 N1 C3 116.9(2) . . ?
Os1 C1 H1 121.2 . . ?
C2 C1 Os1 117.6(2) . . ?
C2 C1 H1 121.2 . . ?
Cl1S C1S Cl2S 111.2(2) . . ?
Cl1S C1S H1SA 109.4 . . ?
Cl1S C1S H1SB 109.4 . . ?
Cl2S C1S H1SA 109.4 . . ?
Cl2S C1S H1SB 109.4 . . ?
H1SA C1S H1SB 108.0 . . ?
C1 C2 P3 122.5(2) . . ?
C1 C2 C3 115.7(2) . . ?
C3 C2 P3 121.6(2) . . ?
Cl3S C2S H2SA 109.5 . . ?
Cl3S C2S H2SB 109.5 . . ?
Cl4S C2S Cl3S 110.7(3) . . ?
Cl4S C2S H2SA 109.5 . . ?
Cl4S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 108.1 . . ?
N1 C3 C2 112.9(2) . . ?
N1 C3 C4 121.7(3) . . ?
C4 C3 C2 125.5(2) . . ?
Cl5S C3S H3SA 109.4 . . ?
Cl5S C3S H3SB 109.4 . . ?
Cl6S C3S Cl5S 111.3(2) . . ?
Cl6S C3S H3SA 109.4 . . ?
Cl6S C3S H3SB 109.4 . . ?
H3SA C3S H3SB 108.0 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(3) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.9 . . ?
C6 C5 C4 118.1(3) . . ?
C6 C5 H5 120.9 . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 119.9(3) . . ?
C7 C6 H6 120.0 . . ?
N1 C7 C6 122.6(3) . . ?
N1 C7 C8 119.9(3) . . ?
C6 C7 C8 117.4(3) . . ?
C9 C8 C7 170.1(4) . . ?
C8 C9 H9 180.0 . . ?
O1 C10 Os1 173.9(3) . . ?
C12 C11 P1 121.7(2) . . ?
C12 C11 C16 119.0(3) . . ?
C16 C11 P1 119.2(2) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0(3) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C11 C16 H16 119.8 . . ?
C15 C16 C11 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C18 C17 P1 120.0(2) . . ?
C18 C17 C22 118.3(3) . . ?
C22 C17 P1 121.2(2) . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.3(3) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.7(3) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.7(3) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 120.1 . . ?
C20 C21 C22 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C17 C22 H22 119.4 . . ?
C21 C22 C17 121.1(3) . . ?
C21 C22 H22 119.4 . . ?
C24 C23 P1 118.6(2) . . ?
C24 C23 C28 119.2(3) . . ?
C28 C23 P1 121.8(2) . . ?
C23 C24 H24 119.9 . . ?
C23 C24 C25 120.3(3) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.1(3) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.9(3) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C23 C28 H28 119.9 . . ?
C27 C28 C23 120.3(3) . . ?
C27 C28 H28 119.9 . . ?
C30 C29 P2 119.6(2) . . ?
C30 C29 C34 118.6(3) . . ?
C34 C29 P2 121.7(2) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 C29 121.0(3) . . ?
C31 C30 H30 119.5 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(3) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.6(3) . . ?
C33 C32 H32 120.2 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.6(3) . . ?
C34 C33 H33 119.7 . . ?
C29 C34 C33 120.0(3) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 P2 118.1(2) . . ?
C36 C35 C40 118.9(3) . . ?
C40 C35 P2 122.6(2) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.4(3) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.1(3) . . ?
C38 C37 H37 119.9 . . ?
C37 C38 H38 120.1 . . ?
C39 C38 C37 119.8(3) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 119.8 . . ?
C40 C39 C38 120.4(3) . . ?
C40 C39 H39 119.8 . . ?
C35 C40 H40 119.9 . . ?
C39 C40 C35 120.3(3) . . ?
C39 C40 H40 119.9 . . ?
C42 C41 P2 117.9(2) . . ?
C46 C41 P2 123.9(3) . . ?
C46 C41 C42 118.2(3) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 C41 121.2(3) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.0(3) . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 120.2 . . ?
C43 C44 C45 119.7(3) . . ?
C45 C44 H44 120.2 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.1(4) . . ?
C46 C45 H45 120.0 . . ?
C41 C46 C45 120.8(3) . . ?
C41 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C48 C47 P3 118.1(2) . . ?
C52 C47 P3 121.3(2) . . ?
C52 C47 C48 120.5(3) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 C47 119.6(3) . . ?
C49 C48 H48 120.2 . . ?
C48 C49 H49 120.1 . . ?
C50 C49 C48 119.9(3) . . ?
C50 C49 H49 120.1 . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.7(3) . . ?
C51 C50 H50 119.7 . . ?
C50 C51 H51 120.1 . . ?
C50 C51 C52 119.9(3) . . ?
C52 C51 H51 120.1 . . ?
C47 C52 C51 119.4(3) . . ?
C47 C52 H52 120.3 . . ?
C51 C52 H52 120.3 . . ?
C54 C53 P3 124.1(2) . . ?
C54 C53 C58 119.5(3) . . ?
C58 C53 P3 116.1(2) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 C53 119.6(3) . . ?
C55 C54 H54 120.2 . . ?
C54 C55 H55 119.7 . . ?
C56 C55 C54 120.6(3) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 H56 119.9 . . ?
C55 C56 C57 120.3(3) . . ?
C57 C56 H56 119.9 . . ?
C56 C57 H57 120.2 . . ?
C58 C57 C56 119.7(3) . . ?
C58 C57 H57 120.2 . . ?
C53 C58 H58 119.9 . . ?
C57 C58 C53 120.2(3) . . ?
C57 C58 H58 119.9 . . ?
C60 C59 P3 118.1(2) . . ?
C60 C59 C64 120.1(3) . . ?
C64 C59 P3 121.1(2) . . ?
C59 C60 H60 120.0 . . ?
C61 C60 C59 120.1(3) . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 C60 119.9(3) . . ?
C62 C61 H61 120.0 . . ?
C61 C62 H62 119.8 . . ?
C61 C62 C63 120.3(3) . . ?
C63 C62 H62 119.8 . . ?
C62 C63 H63 119.7 . . ?
C64 C63 C62 120.5(3) . . ?
C64 C63 H63 119.7 . . ?
C59 C64 H64 120.5 . . ?
C63 C64 C59 119.1(3) . . ?
C63 C64 H64 120.5 . . ?
C66 C65 C70 114.1(3) . . ?
C66 C65 B1 120.7(3) . . ?
C70 C65 B1 125.2(3) . . ?
C65 C66 H66 118.2 . . ?
C67 C66 C65 123.5(3) . . ?
C67 C66 H66 118.2 . . ?
C66 C67 H67 119.9 . . ?
C68 C67 C66 120.3(3) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 120.8 . . ?
C67 C68 C69 118.4(3) . . ?
C69 C68 H68 120.8 . . ?
C68 C69 H69 119.6 . . ?
C68 C69 C70 120.8(3) . . ?
C70 C69 H69 119.6 . . ?
C65 C70 H70 118.6 . . ?
C69 C70 C65 122.8(3) . . ?
C69 C70 H70 118.6 . . ?
C72 C71 B1 122.5(3) . . ?
C76 C71 C72 115.1(3) . . ?
C76 C71 B1 122.0(3) . . ?
C71 C72 H72 118.7 . . ?
C73 C72 C71 122.6(3) . . ?
C73 C72 H72 118.7 . . ?
C72 C73 H73 119.8 . . ?
C74 C73 C72 120.4(3) . . ?
C74 C73 H73 119.8 . . ?
C73 C74 H74 120.6 . . ?
C73 C74 C75 118.9(3) . . ?
C75 C74 H74 120.6 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 120.1(3) . . ?
C76 C75 H75 120.0 . . ?
C71 C76 H76 118.5 . . ?
C75 C76 C71 123.0(3) . . ?
C75 C76 H76 118.5 . . ?
C78 C77 C82 115.1(3) . . ?
C78 C77 B1 124.0(3) . . ?
C82 C77 B1 120.9(3) . . ?
C77 C78 H78 118.7 . . ?
C79 C78 C77 122.7(3) . . ?
C79 C78 H78 118.7 . . ?
C78 C79 H79 120.1 . . ?
C80 C79 C78 119.9(4) . . ?
C80 C79 H79 120.1 . . ?
C79 C80 H80 120.3 . . ?
C81 C80 C79 119.4(3) . . ?
C81 C80 H80 120.3 . . ?
C80 C81 H81 120.0 . . ?
C80 C81 C82 120.0(4) . . ?
C82 C81 H81 120.0 . . ?
C77 C82 H82 118.5 . . ?
C81 C82 C77 122.9(4) . . ?
C81 C82 H82 118.5 . . ?
C84 C83 C88 115.3(3) . . ?
C84 C83 B1 122.3(3) . . ?
C88 C83 B1 122.4(3) . . ?
C83 C84 H84 118.6 . . ?
C85 C84 C83 122.8(3) . . ?
C85 C84 H84 118.6 . . ?
C84 C85 H85 119.9 . . ?
C84 C85 C86 120.2(3) . . ?
C86 C85 H85 119.9 . . ?
C85 C86 H86 120.6 . . ?
C87 C86 C85 118.8(3) . . ?
C87 C86 H86 120.6 . . ?
C86 C87 H87 119.8 . . ?
C86 C87 C88 120.4(3) . . ?
C88 C87 H87 119.8 . . ?
C83 C88 H88 118.7 . . ?
C87 C88 C83 122.6(3) . . ?
C87 C88 H88 118.7 . . ?
C65 B1 C83 110.4(2) . . ?
C71 B1 C65 109.0(2) . . ?
C71 B1 C83 108.1(2) . . ?
C77 B1 C65 109.8(2) . . ?
C77 B1 C71 110.7(2) . . ?
C77 B1 C83 108.8(2) . . ?

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 C11 C12 18.8(3) . . . . ?
Os1 P1 C11 C16 -165.98(19) . . . . ?
Os1 P1 C17 C18 86.9(3) . . . . ?
Os1 P1 C17 C22 -84.8(2) . . . . ?
Os1 P1 C23 C24 -33.9(3) . . . . ?
Os1 P1 C23 C28 153.1(2) . . . . ?
Os1 P2 C29 C30 52.2(3) . . . . ?
Os1 P2 C29 C34 -130.8(2) . . . . ?
Os1 P2 C35 C36 48.0(2) . . . . ?
Os1 P2 C35 C40 -138.9(2) . . . . ?
Os1 P2 C41 C42 68.5(3) . . . . ?
Os1 P2 C41 C46 -108.7(3) . . . . ?
Os1 N1 C3 C2 4.6(3) . . . . ?
Os1 N1 C3 C4 -177.1(2) . . . . ?
Os1 N1 C7 C6 178.5(2) . . . . ?
Os1 N1 C7 C8 -4.7(4) . . . . ?
Os1 C1 C2 P3 -178.06(13) . . . . ?
Os1 C1 C2 C3 -3.8(3) . . . . ?
P1 C11 C12 C13 176.0(2) . . . . ?
P1 C11 C16 C15 -175.9(2) . . . . ?
P1 C17 C18 C19 -173.1(3) . . . . ?
P1 C17 C22 C21 172.3(2) . . . . ?
P1 C23 C24 C25 -173.7(2) . . . . ?
P1 C23 C28 C27 173.4(2) . . . . ?
P2 C29 C30 C31 176.5(3) . . . . ?
P2 C29 C34 C33 -177.1(2) . . . . ?
P2 C35 C36 C37 172.3(2) . . . . ?
P2 C35 C40 C39 -174.0(2) . . . . ?
P2 C41 C42 C43 -177.7(2) . . . . ?
P2 C41 C46 C45 177.4(3) . . . . ?
P3 C2 C3 N1 173.72(19) . . . . ?
P3 C2 C3 C4 -4.5(4) . . . . ?
P3 C47 C48 C49 175.4(2) . . . . ?
P3 C47 C52 C51 -176.2(2) . . . . ?
P3 C53 C54 C55 -172.2(2) . . . . ?
P3 C53 C58 C57 171.9(2) . . . . ?
P3 C59 C60 C61 172.3(2) . . . . ?
P3 C59 C64 C63 -172.3(2) . . . . ?
N1 C3 C4 C5 -2.2(4) . . . . ?
C1 C2 C3 N1 -0.5(4) . . . . ?
C1 C2 C3 C4 -178.8(3) . . . . ?
C2 P3 C47 C48 -83.2(2) . . . . ?
C2 P3 C47 C52 94.2(2) . . . . ?
C2 P3 C53 C54 132.0(3) . . . . ?
C2 P3 C53 C58 -42.1(2) . . . . ?
C2 P3 C59 C60 12.5(3) . . . . ?
C2 P3 C59 C64 -177.1(2) . . . . ?
C2 C3 C4 C5 175.9(3) . . . . ?
C3 N1 C7 C6 -1.2(4) . . . . ?
C3 N1 C7 C8 175.6(3) . . . . ?
C3 C4 C5 C6 0.3(5) . . . . ?
C4 C5 C6 C7 1.0(5) . . . . ?
C5 C6 C7 N1 -0.6(5) . . . . ?
C5 C6 C7 C8 -177.5(3) . . . . ?
C7 N1 C3 C2 -175.7(2) . . . . ?
C7 N1 C3 C4 2.6(4) . . . . ?
C11 P1 C17 C18 -39.4(3) . . . . ?
C11 P1 C17 C22 149.0(2) . . . . ?
C11 P1 C23 C24 96.1(2) . . . . ?
C11 P1 C23 C28 -76.9(3) . . . . ?
C11 C12 C13 C14 -0.6(5) . . . . ?
C12 C11 C16 C15 -0.5(4) . . . . ?
C12 C13 C14 C15 0.2(5) . . . . ?
C13 C14 C15 C16 0.1(5) . . . . ?
C14 C15 C16 C11 0.1(5) . . . . ?
C16 C11 C12 C13 0.7(4) . . . . ?
C17 P1 C11 C12 139.8(3) . . . . ?
C17 P1 C11 C16 -45.0(3) . . . . ?
C17 P1 C23 C24 -158.0(2) . . . . ?
C17 P1 C23 C28 29.0(3) . . . . ?
C17 C18 C19 C20 1.1(6) . . . . ?
C18 C17 C22 C21 0.5(4) . . . . ?
C18 C19 C20 C21 -0.2(6) . . . . ?
C19 C20 C21 C22 -0.6(5) . . . . ?
C20 C21 C22 C17 0.4(5) . . . . ?
C22 C17 C18 C19 -1.2(5) . . . . ?
C23 P1 C11 C12 -111.5(3) . . . . ?
C23 P1 C11 C16 63.7(3) . . . . ?
C23 P1 C17 C18 -143.9(3) . . . . ?
C23 P1 C17 C22 44.4(3) . . . . ?
C23 C24 C25 C26 0.0(4) . . . . ?
C24 C23 C28 C27 0.5(4) . . . . ?
C24 C25 C26 C27 0.5(5) . . . . ?
C25 C26 C27 C28 -0.5(5) . . . . ?
C26 C27 C28 C23 0.0(5) . . . . ?
C28 C23 C24 C25 -0.5(4) . . . . ?
C29 P2 C35 C36 -80.0(2) . . . . ?
C29 P2 C35 C40 93.0(3) . . . . ?
C29 P2 C41 C42 -164.3(2) . . . . ?
C29 P2 C41 C46 18.5(3) . . . . ?
C29 C30 C31 C32 0.8(5) . . . . ?
C30 C29 C34 C33 -0.1(5) . . . . ?
C30 C31 C32 C33 -0.3(5) . . . . ?
C31 C32 C33 C34 -0.4(5) . . . . ?
C32 C33 C34 C29 0.6(5) . . . . ?
C34 C29 C30 C31 -0.6(5) . . . . ?
C35 P2 C29 C30 -179.6(3) . . . . ?
C35 P2 C29 C34 -2.6(3) . . . . ?
C35 P2 C41 C42 -59.2(3) . . . . ?
C35 P2 C41 C46 123.6(3) . . . . ?
C35 C36 C37 C38 1.9(4) . . . . ?
C36 C35 C40 C39 -1.0(4) . . . . ?
C36 C37 C38 C39 -0.7(5) . . . . ?
C37 C38 C39 C40 -1.4(5) . . . . ?
C38 C39 C40 C35 2.2(5) . . . . ?
C40 C35 C36 C37 -1.0(4) . . . . ?
C41 P2 C29 C30 -72.7(3) . . . . ?
C41 P2 C29 C34 104.3(3) . . . . ?
C41 P2 C35 C36 173.2(2) . . . . ?
C41 P2 C35 C40 -13.7(3) . . . . ?
C41 C42 C43 C44 0.8(5) . . . . ?
C42 C41 C46 C45 0.2(6) . . . . ?
C42 C43 C44 C45 -1.2(6) . . . . ?
C43 C44 C45 C46 1.1(7) . . . . ?
C44 C45 C46 C41 -0.6(7) . . . . ?
C46 C41 C42 C43 -0.3(5) . . . . ?
C47 P3 C2 C1 3.8(3) . . . . ?
C47 P3 C2 C3 -170.0(2) . . . . ?
C47 P3 C53 C54 -110.0(3) . . . . ?
C47 P3 C53 C58 75.9(2) . . . . ?
C47 P3 C59 C60 -104.6(2) . . . . ?
C47 P3 C59 C64 65.8(3) . . . . ?
C47 C48 C49 C50 1.1(5) . . . . ?
C48 C47 C52 C51 1.1(4) . . . . ?
C48 C49 C50 C51 0.7(5) . . . . ?
C49 C50 C51 C52 -1.5(5) . . . . ?
C50 C51 C52 C47 0.6(5) . . . . ?
C52 C47 C48 C49 -2.0(4) . . . . ?
C53 P3 C2 C1 124.1(2) . . . . ?
C53 P3 C2 C3 -49.8(2) . . . . ?
C53 P3 C47 C48 159.3(2) . . . . ?
C53 P3 C47 C52 -23.3(3) . . . . ?
C53 P3 C59 C60 133.6(2) . . . . ?
C53 P3 C59 C64 -56.0(3) . . . . ?
C53 C54 C55 C56 0.6(5) . . . . ?
C54 C53 C58 C57 -2.5(4) . . . . ?
C54 C55 C56 C57 -2.1(5) . . . . ?
C55 C56 C57 C58 1.2(5) . . . . ?
C56 C57 C58 C53 1.0(5) . . . . ?
C58 C53 C54 C55 1.7(4) . . . . ?
C59 P3 C2 C1 -111.7(2) . . . . ?
C59 P3 C2 C3 74.4(2) . . . . ?
C59 P3 C47 C48 36.7(3) . . . . ?
C59 P3 C47 C52 -145.9(2) . . . . ?
C59 P3 C53 C54 8.3(3) . . . . ?
C59 P3 C53 C58 -165.8(2) . . . . ?
C59 C60 C61 C62 -0.2(5) . . . . ?
C60 C59 C64 C63 -2.0(4) . . . . ?
C60 C61 C62 C63 -1.0(5) . . . . ?
C61 C62 C63 C64 0.7(5) . . . . ?
C62 C63 C64 C59 0.8(5) . . . . ?
C64 C59 C60 C61 1.8(5) . . . . ?
C65 C66 C67 C68 -1.1(6) . . . . ?
C66 C65 C70 C69 1.6(5) . . . . ?
C66 C65 B1 C71 88.0(3) . . . . ?
C66 C65 B1 C77 -150.6(3) . . . . ?
C66 C65 B1 C83 -30.6(4) . . . . ?
C66 C67 C68 C69 1.8(5) . . . . ?
C67 C68 C69 C70 -0.9(5) . . . . ?
C68 C69 C70 C65 -1.0(5) . . . . ?
C70 C65 C66 C67 -0.6(5) . . . . ?
C70 C65 B1 C71 -90.0(3) . . . . ?
C70 C65 B1 C77 31.4(4) . . . . ?
C70 C65 B1 C83 151.4(3) . . . . ?
C71 C72 C73 C74 -0.1(5) . . . . ?
C72 C71 C76 C75 0.6(4) . . . . ?
C72 C71 B1 C65 -36.3(4) . . . . ?
C72 C71 B1 C77 -157.1(3) . . . . ?
C72 C71 B1 C83 83.7(3) . . . . ?
C72 C73 C74 C75 -0.2(5) . . . . ?
C73 C74 C75 C76 0.7(5) . . . . ?
C74 C75 C76 C71 -1.0(5) . . . . ?
C76 C71 C72 C73 -0.1(4) . . . . ?
C76 C71 B1 C65 150.7(3) . . . . ?
C76 C71 B1 C77 29.9(4) . . . . ?
C76 C71 B1 C83 -89.2(3) . . . . ?
C77 C78 C79 C80 0.1(5) . . . . ?
C78 C77 C82 C81 -2.1(5) . . . . ?
C78 C77 B1 C65 110.9(3) . . . . ?
C78 C77 B1 C71 -128.8(3) . . . . ?
C78 C77 B1 C83 -10.1(4) . . . . ?
C78 C79 C80 C81 -1.2(5) . . . . ?
C79 C80 C81 C82 0.6(5) . . . . ?
C80 C81 C82 C77 1.2(6) . . . . ?
C82 C77 C78 C79 1.5(5) . . . . ?
C82 C77 B1 C65 -66.3(4) . . . . ?
C82 C77 B1 C71 54.1(4) . . . . ?
C82 C77 B1 C83 172.8(3) . . . . ?
C83 C84 C85 C86 0.4(5) . . . . ?
C84 C83 C88 C87 -0.2(4) . . . . ?
C84 C83 B1 C65 -43.8(4) . . . . ?
C84 C83 B1 C71 -163.0(3) . . . . ?
C84 C83 B1 C77 76.7(3) . . . . ?
C84 C85 C86 C87 -0.6(5) . . . . ?
C85 C86 C87 C88 0.5(5) . . . . ?
C86 C87 C88 C83 -0.1(5) . . . . ?
C88 C83 C84 C85 0.1(4) . . . . ?
C88 C83 B1 C65 140.0(3) . . . . ?
C88 C83 B1 C71 20.9(4) . . . . ?
C88 C83 B1 C77 -99.4(3) . . . . ?
B1 C65 C66 C67 -178.8(3) . . . . ?
B1 C65 C70 C69 179.7(3) . . . . ?
B1 C71 C72 C73 -173.5(3) . . . . ?
B1 C71 C76 C75 174.1(3) . . . . ?
B1 C77 C78 C79 -175.8(3) . . . . ?
B1 C77 C82 C81 175.2(3) . . . . ?
B1 C83 C84 C85 -176.3(3) . . . . ?
B1 C83 C88 C87 176.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_12
_database_code_depnum_ccdc_archive 'CCDC 2314894'
loop_
_audit_author_name
_audit_author_address
'Complex Twelve'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-07-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C81 H64 Cl N P4 Ru, 2(C24 H20 B)'
_chemical_formula_sum            'C129 H104 B2 Cl N P4 Ru'
_chemical_formula_weight         1950.15
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.3296(4)
_cell_length_b                   17.6406(4)
_cell_length_c                   18.5079(4)
_cell_angle_alpha                79.8370(10)
_cell_angle_beta                 73.9580(10)
_cell_angle_gamma                87.9760(10)
_cell_volume                     5351.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9231
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      72.440
_cell_measurement_theta_min      4.274
_shelx_estimated_absorpt_T_max   0.798
_shelx_estimated_absorpt_T_min   0.798
_exptl_absorpt_coefficient_mu    2.361
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5117
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            56028
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.432
_diffrn_reflns_theta_min         2.522
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18818
_reflns_number_total             20264
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.998
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1243
_refine_ls_number_reflns         20264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0392P)²+6.4737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.0990
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), 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),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C65(H65), C66(H66), C67(H67), C68(H68),
 C69(H69), C71(H71), C72(H72), C73(H73), C74(H74), C75(H75), C77(H77), C78(H78),
  C79(H79), C80(H80), C81(H81), C83(H83), C84(H84), C85(H85), C86(H86),
 C87(H87), C89(H89), C90(H90), C91(H91), C92(H92), C93(H93), C95(H95), C96(H96),
  C97(H97), C98(H98), C99(H99), C101(H101), C102(H102), C103(H103), C104(H104),
 C105(H105), C107(H107), C108(H108), C109(H109), C110(H110), C111(H111),
 C113(H113), C114(H114), C115(H115), C116(H116), C117(H117), C119(H119),
 C120(H120), C121(H121), C122(H122), C123(H123), C125(H125), C126(H126),
 C127(H127), C128(H128), C129(H129)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ru1 Ru 0.16903(2) 0.22706(2) 0.37767(2) 0.01104(5) Uani 1 1 d . . . . .
Cl1 Cl 0.12230(3) 0.16875(3) 0.50680(3) 0.01723(10) Uani 1 1 d . . . . .
P1 P 0.24387(3) 0.11150(3) 0.35642(3) 0.01254(10) Uani 1 1 d . . . . .
P2 P 0.08678(3) 0.33361(3) 0.41711(3) 0.01298(10) Uani 1 1 d . . . . .
P3 P 0.01762(3) 0.19396(3) 0.21268(3) 0.01216(10) Uani 1 1 d . . . . .
P4 P 0.39816(3) 0.37551(3) 0.29306(3) 0.01305(10) Uani 1 1 d . . . . .
N1 N 0.20609(10) 0.27699(10) 0.26249(9) 0.0124(3) Uani 1 1 d . . . . .
C1 C 0.08577(12) 0.19614(13) 0.33188(11) 0.0144(4) Uani 1 1 d . . . . .
H1 H 0.042955 0.162871 0.363055 0.017 Uiso 1 1 calc R U . . .
C2 C 0.08863(11) 0.22136(12) 0.25733(11) 0.0131(4) Uani 1 1 d . . . . .
C3 C 0.15994(12) 0.26885(12) 0.21579(11) 0.0132(4) Uani 1 1 d . . . . .
C4 C 0.18444(13) 0.30142(13) 0.13847(11) 0.0163(4) Uani 1 1 d . . . . .
H4 H 0.151867 0.296235 0.105867 0.020 Uiso 1 1 calc R U . . .
C5 C 0.25692(13) 0.34139(13) 0.11001(11) 0.0174(4) Uani 1 1 d . . . . .
H5 H 0.274992 0.362467 0.057195 0.021 Uiso 1 1 calc R U . . .
C6 C 0.30335(12) 0.35085(13) 0.15818(12) 0.0165(4) Uani 1 1 d . . . . .
H6 H 0.352281 0.379604 0.139125 0.020 Uiso 1 1 calc R U . . .
C7 C 0.27679(12) 0.31733(12) 0.23514(11) 0.0139(4) Uani 1 1 d . . . . .
C8 C 0.31329(12) 0.31972(12) 0.29722(11) 0.0143(4) Uani 1 1 d . . . . .
C9 C 0.26726(12) 0.28124(13) 0.36426(12) 0.0158(4) Uani 1 1 d . . . . .
C10 C 0.29694(12) 0.07322(13) 0.42754(11) 0.0169(4) Uani 1 1 d . . . . .
C11 C 0.31948(13) -0.00405(14) 0.43449(12) 0.0209(5) Uani 1 1 d . . . . .
H11 H 0.303429 -0.036882 0.405575 0.025 Uiso 1 1 calc R U . . .
C12 C 0.36550(14) -0.03279(16) 0.48387(14) 0.0271(5) Uani 1 1 d . . . . .
H12 H 0.381161 -0.085183 0.488342 0.032 Uiso 1 1 calc R U . . .
C13 C 0.38846(15) 0.01481(17) 0.52642(14) 0.0302(6) Uani 1 1 d . . . . .
H13 H 0.419639 -0.005126 0.560217 0.036 Uiso 1 1 calc R U . . .
C14 C 0.36629(15) 0.09122(16) 0.52005(14) 0.0283(5) Uani 1 1 d . . . . .
H14 H 0.382283 0.123611 0.549412 0.034 Uiso 1 1 calc R U . . .
C15 C 0.32054(13) 0.12081(14) 0.47065(12) 0.0211(5) Uani 1 1 d . . . . .
H15 H 0.305400 0.173345 0.466289 0.025 Uiso 1 1 calc R U . . .
C16 C 0.18157(12) 0.03021(13) 0.35705(12) 0.0155(4) Uani 1 1 d . . . . .
C17 C 0.11857(13) 0.00713(14) 0.42291(13) 0.0217(5) Uani 1 1 d . . . . .
H17 H 0.110094 0.033743 0.464763 0.026 Uiso 1 1 calc R U . . .
C18 C 0.06846(14) -0.05424(15) 0.42757(14) 0.0258(5) Uani 1 1 d . . . . .
H18 H 0.026718 -0.070080 0.472956 0.031 Uiso 1 1 calc R U . . .
C19 C 0.07896(14) -0.09252(14) 0.36641(14) 0.0241(5) Uani 1 1 d . . . . .
H19 H 0.043352 -0.133265 0.369005 0.029 Uiso 1 1 calc R U . . .
C20 C 0.14161(14) -0.07106(14) 0.30155(13) 0.0230(5) Uani 1 1 d . . . . .
H20 H 0.149381 -0.097715 0.259800 0.028 Uiso 1 1 calc R U . . .
C21 C 0.19337(13) -0.01077(13) 0.29690(12) 0.0188(4) Uani 1 1 d . . . . .
H21 H 0.237012 0.002610 0.252552 0.023 Uiso 1 1 calc R U . . .
C22 C 0.32361(13) 0.11807(13) 0.26671(11) 0.0162(4) Uani 1 1 d . . . . .
C23 C 0.30372(13) 0.13868(13) 0.19754(12) 0.0174(4) Uani 1 1 d . . . . .
H23 H 0.249937 0.151598 0.197918 0.021 Uiso 1 1 calc R U . . .
C24 C 0.36194(14) 0.14043(14) 0.12821(12) 0.0215(5) Uani 1 1 d . . . . .
H24 H 0.347861 0.154637 0.081595 0.026 Uiso 1 1 calc R U . . .
C25 C 0.44053(14) 0.12141(14) 0.12725(13) 0.0227(5) Uani 1 1 d . . . . .
H25 H 0.480068 0.121384 0.080024 0.027 Uiso 1 1 calc R U . . .
C26 C 0.46118(13) 0.10252(14) 0.19504(13) 0.0226(5) Uani 1 1 d . . . . .
H26 H 0.515286 0.090579 0.194156 0.027 Uiso 1 1 calc R U . . .
C27 C 0.40336(13) 0.10080(13) 0.26484(12) 0.0185(4) Uani 1 1 d . . . . .
H27 H 0.418248 0.087862 0.311159 0.022 Uiso 1 1 calc R U . . .
C28 C 0.13026(12) 0.39168(13) 0.46921(11) 0.0154(4) Uani 1 1 d . . . . .
C29 C 0.16725(14) 0.35521(14) 0.52387(13) 0.0215(5) Uani 1 1 d . . . . .
H29 H 0.170867 0.300666 0.532860 0.026 Uiso 1 1 calc R U . . .
C30 C 0.19881(15) 0.39841(16) 0.56517(13) 0.0268(5) Uani 1 1 d . . . . .
H30 H 0.222322 0.373202 0.603501 0.032 Uiso 1 1 calc R U . . .
C31 C 0.19613(15) 0.47809(15) 0.55069(13) 0.0262(5) Uani 1 1 d . . . . .
H31 H 0.219336 0.507507 0.577860 0.031 Uiso 1 1 calc R U . . .
C32 C 0.15964(15) 0.51476(15) 0.49663(14) 0.0269(5) Uani 1 1 d . . . . .
H32 H 0.157857 0.569407 0.486665 0.032 Uiso 1 1 calc R U . . .
C33 C 0.12562(14) 0.47200(14) 0.45691(12) 0.0215(5) Uani 1 1 d . . . . .
H33 H 0.099004 0.497454 0.421117 0.026 Uiso 1 1 calc R U . . .
C34 C -0.01204(13) 0.30476(13) 0.48246(12) 0.0184(4) Uani 1 1 d . . . . .
C35 C -0.06733(14) 0.27092(16) 0.45628(15) 0.0308(6) Uani 1 1 d . . . . .
H35 H -0.053115 0.262064 0.405114 0.037 Uiso 1 1 calc R U . . .
C36 C -0.14355(15) 0.24962(17) 0.50382(17) 0.0365(7) Uani 1 1 d . . . . .
H36 H -0.181529 0.227482 0.484884 0.044 Uiso 1 1 calc R U . . .
C37 C -0.16375(14) 0.26094(16) 0.57918(15) 0.0309(6) Uani 1 1 d . . . . .
H37 H -0.215493 0.246141 0.612146 0.037 Uiso 1 1 calc R U . . .
C38 C -0.10884(15) 0.29349(16) 0.60574(13) 0.0301(6) Uani 1 1 d . . . . .
H38 H -0.122650 0.300745 0.657399 0.036 Uiso 1 1 calc R U . . .
C39 C -0.03301(14) 0.31609(15) 0.55799(12) 0.0236(5) Uani 1 1 d . . . . .
H39 H 0.004365 0.339203 0.576900 0.028 Uiso 1 1 calc R U . . .
C40 C 0.06401(13) 0.40679(13) 0.34275(11) 0.0164(4) Uani 1 1 d . . . . .
C41 C -0.01186(14) 0.43817(14) 0.34881(13) 0.0231(5) Uani 1 1 d . . . . .
H41 H -0.055963 0.417572 0.390299 0.028 Uiso 1 1 calc R U . . .
C42 C -0.02351(16) 0.49937(15) 0.29461(14) 0.0285(5) Uani 1 1 d . . . . .
H42 H -0.075543 0.520424 0.299461 0.034 Uiso 1 1 calc R U . . .
C43 C 0.03998(17) 0.53008(15) 0.23349(13) 0.0277(5) Uani 1 1 d . . . . .
H43 H 0.031591 0.571736 0.196373 0.033 Uiso 1 1 calc R U . . .
C44 C 0.11560(16) 0.49947(14) 0.22713(13) 0.0260(5) Uani 1 1 d . . . . .
H44 H 0.159514 0.520311 0.185564 0.031 Uiso 1 1 calc R U . . .
C45 C 0.12765(14) 0.43828(13) 0.28135(12) 0.0210(5) Uani 1 1 d . . . . .
H45 H 0.179870 0.417680 0.276497 0.025 Uiso 1 1 calc R U . . .
C46 C -0.04167(12) 0.27352(12) 0.18520(11) 0.0142(4) Uani 1 1 d . . . . .
C47 C -0.10932(12) 0.25611(13) 0.16306(11) 0.0169(4) Uani 1 1 d . . . . .
H47 H -0.121845 0.204230 0.162608 0.020 Uiso 1 1 calc R U . . .
C48 C -0.15759(13) 0.31525(14) 0.14190(12) 0.0193(4) Uani 1 1 d . . . . .
H48 H -0.203792 0.303943 0.127363 0.023 Uiso 1 1 calc R U . . .
C49 C -0.13862(13) 0.39097(14) 0.14191(12) 0.0199(5) Uani 1 1 d . . . . .
H49 H -0.171782 0.431366 0.127080 0.024 Uiso 1 1 calc R U . . .
C50 C -0.07166(14) 0.40807(14) 0.16338(12) 0.0204(5) Uani 1 1 d . . . . .
H50 H -0.058901 0.460185 0.162631 0.024 Uiso 1 1 calc R U . . .
C51 C -0.02308(13) 0.34978(13) 0.18597(12) 0.0173(4) Uani 1 1 d . . . . .
H51 H 0.022189 0.361500 0.201732 0.021 Uiso 1 1 calc R U . . .
C52 C 0.07063(12) 0.15306(13) 0.13089(11) 0.0158(4) Uani 1 1 d . . . . .
C53 C 0.12687(13) 0.09640(13) 0.14136(12) 0.0187(4) Uani 1 1 d . . . . .
H53 H 0.137099 0.082288 0.189779 0.022 Uiso 1 1 calc R U . . .
C54 C 0.16772(14) 0.06082(14) 0.08098(14) 0.0247(5) Uani 1 1 d . . . . .
H54 H 0.205866 0.022139 0.087805 0.030 Uiso 1 1 calc R U . . .
C55 C 0.15232(15) 0.08228(15) 0.01022(13) 0.0277(5) Uani 1 1 d . . . . .
H55 H 0.179273 0.057175 -0.030947 0.033 Uiso 1 1 calc R U . . .
C56 C 0.09846(15) 0.13949(15) -0.00072(12) 0.0251(5) Uani 1 1 d . . . . .
H56 H 0.089581 0.154361 -0.049638 0.030 Uiso 1 1 calc R U . . .
C57 C 0.05690(13) 0.17572(14) 0.05936(12) 0.0195(4) Uani 1 1 d . . . . .
H57 H 0.019790 0.215224 0.051798 0.023 Uiso 1 1 calc R U . . .
C58 C -0.05083(12) 0.12331(13) 0.27992(11) 0.0150(4) Uani 1 1 d . . . . .
C59 C -0.11719(13) 0.14940(14) 0.33217(12) 0.0208(5) Uani 1 1 d . . . . .
H59 H -0.125629 0.203020 0.331269 0.025 Uiso 1 1 calc R U . . .
C60 C -0.17025(14) 0.09626(15) 0.38502(13) 0.0238(5) Uani 1 1 d . . . . .
H60 H -0.214808 0.113632 0.420886 0.029 Uiso 1 1 calc R U . . .
C61 C -0.15880(14) 0.01804(14) 0.38595(12) 0.0219(5) Uani 1 1 d . . . . .
H61 H -0.195681 -0.018016 0.422085 0.026 Uiso 1 1 calc R U . . .
C62 C -0.09344(14) -0.00769(14) 0.33409(13) 0.0215(5) Uani 1 1 d . . . . .
H62 H -0.085659 -0.061362 0.334805 0.026 Uiso 1 1 calc R U . . .
C63 C -0.03943(13) 0.04476(13) 0.28121(12) 0.0187(4) Uani 1 1 d . . . . .
H63 H 0.005333 0.026974 0.245886 0.022 Uiso 1 1 calc R U . . .
C64 C 0.48777(12) 0.35080(13) 0.22619(11) 0.0155(4) Uani 1 1 d . . . . .
C65 C 0.55994(13) 0.38656(15) 0.22239(13) 0.0231(5) Uani 1 1 d . . . . .
H65 H 0.560844 0.422233 0.255070 0.028 Uiso 1 1 calc R U . . .
C66 C 0.63020(13) 0.36944(15) 0.17045(13) 0.0247(5) Uani 1 1 d . . . . .
H66 H 0.679271 0.394071 0.167008 0.030 Uiso 1 1 calc R U . . .
C67 C 0.62898(13) 0.31658(14) 0.12364(12) 0.0197(5) Uani 1 1 d . . . . .
H67 H 0.677056 0.305693 0.087606 0.024 Uiso 1 1 calc R U . . .
C68 C 0.55801(13) 0.27957(13) 0.12918(12) 0.0183(4) Uani 1 1 d . . . . .
H68 H 0.557961 0.242561 0.097611 0.022 Uiso 1 1 calc R U . . .
C69 C 0.48654(12) 0.29598(13) 0.18060(12) 0.0170(4) Uani 1 1 d . . . . .
H69 H 0.437899 0.270313 0.184527 0.020 Uiso 1 1 calc R U . . .
C70 C 0.37745(13) 0.47627(13) 0.27140(12) 0.0171(4) Uani 1 1 d . . . . .
C71 C 0.43443(14) 0.52955(14) 0.22461(12) 0.0223(5) Uani 1 1 d . . . . .
H71 H 0.485578 0.512715 0.198511 0.027 Uiso 1 1 calc R U . . .
C72 C 0.41712(16) 0.60756(15) 0.21567(13) 0.0273(5) Uani 1 1 d . . . . .
H72 H 0.456679 0.644077 0.184181 0.033 Uiso 1 1 calc R U . . .
C73 C 0.34229(17) 0.63200(16) 0.25263(16) 0.0331(6) Uani 1 1 d . . . . .
H73 H 0.330522 0.685369 0.246865 0.040 Uiso 1 1 calc R U . . .
C74 C 0.28472(17) 0.57892(17) 0.29787(19) 0.0415(7) Uani 1 1 d . . . . .
H74 H 0.232851 0.595830 0.321986 0.050 Uiso 1 1 calc R U . . .
C75 C 0.30187(14) 0.50125(15) 0.30843(16) 0.0313(6) Uani 1 1 d . . . . .
H75 H 0.262409 0.465073 0.340719 0.038 Uiso 1 1 calc R U . . .
C76 C 0.41493(13) 0.35589(15) 0.38599(12) 0.0205(5) Uani 1 1 d . . . . .
C77 C 0.45577(15) 0.28979(17) 0.40520(14) 0.0307(6) Uani 1 1 d . . . . .
H77 H 0.473056 0.255207 0.370135 0.037 Uiso 1 1 calc R U . . .
C78 C 0.47130(16) 0.2744(2) 0.47628(16) 0.0464(9) Uani 1 1 d . . . . .
H78 H 0.499300 0.229346 0.490103 0.056 Uiso 1 1 calc R U . . .
C79 C 0.44532(16) 0.3258(2) 0.52682(14) 0.0499(10) Uani 1 1 d . . . . .
H79 H 0.456489 0.315837 0.575039 0.060 Uiso 1 1 calc R U . . .
C80 C 0.40429(18) 0.3900(2) 0.50841(14) 0.0429(8) Uani 1 1 d . . . . .
H80 H 0.386142 0.423844 0.544095 0.051 Uiso 1 1 calc R U . . .
C81 C 0.38878(15) 0.40633(17) 0.43771(13) 0.0286(6) Uani 1 1 d . . . . .
H81 H 0.360565 0.451495 0.424613 0.034 Uiso 1 1 calc R U . . .
C82 C 0.76873(13) 0.28006(13) -0.05916(11) 0.0169(4) Uani 1 1 d . . . . .
C83 C 0.81745(13) 0.32827(13) -0.03663(12) 0.0178(4) Uani 1 1 d . . . . .
H83 H 0.865578 0.308111 -0.026241 0.021 Uiso 1 1 calc R U . . .
C84 C 0.79811(13) 0.40433(14) -0.02891(12) 0.0194(4) Uani 1 1 d . . . . .
H84 H 0.832951 0.434955 -0.013886 0.023 Uiso 1 1 calc R U . . .
C85 C 0.72802(14) 0.43531(14) -0.04316(12) 0.0219(5) Uani 1 1 d . . . . .
H85 H 0.714405 0.487080 -0.037907 0.026 Uiso 1 1 calc R U . . .
C86 C 0.67833(14) 0.38995(15) -0.06508(13) 0.0230(5) Uani 1 1 d . . . . .
H86 H 0.630179 0.410648 -0.074963 0.028 Uiso 1 1 calc R U . . .
C87 C 0.69827(13) 0.31369(14) -0.07287(12) 0.0194(4) Uani 1 1 d . . . . .
H87 H 0.662967 0.283639 -0.087942 0.023 Uiso 1 1 calc R U . . .
C88 C 0.73215(13) 0.14720(14) -0.09703(13) 0.0216(5) Uani 1 1 d . . . . .
C89 C 0.68000(14) 0.08683(15) -0.05337(15) 0.0273(5) Uani 1 1 d . . . . .
H89 H 0.682192 0.067700 -0.002680 0.033 Uiso 1 1 calc R U . . .
C90 C 0.62512(16) 0.05391(17) -0.08166(19) 0.0372(6) Uani 1 1 d . . . . .
H90 H 0.591032 0.012937 -0.050139 0.045 Uiso 1 1 calc R U . . .
C91 C 0.61956(17) 0.07975(17) -0.15433(19) 0.0381(7) Uani 1 1 d . . . . .
H91 H 0.581762 0.057263 -0.173212 0.046 Uiso 1 1 calc R U . . .
C92 C 0.67015(17) 0.13942(17) -0.19993(17) 0.0350(6) Uani 1 1 d . . . . .
H92 H 0.667430 0.157960 -0.250562 0.042 Uiso 1 1 calc R U . . .
C93 C 0.72479(15) 0.17187(15) -0.17105(14) 0.0260(5) Uani 1 1 d . . . . .
H93 H 0.758741 0.212703 -0.203037 0.031 Uiso 1 1 calc R U . . .
C94 C 0.80417(14) 0.14732(13) 0.01669(12) 0.0205(5) Uani 1 1 d . . . . .
C95 C 0.73486(16) 0.14005(16) 0.07887(14) 0.0285(5) Uani 1 1 d . . . . .
H95 H 0.686774 0.162978 0.070928 0.034 Uiso 1 1 calc R U . . .
C96 C 0.73332(19) 0.10098(18) 0.15128(15) 0.0386(7) Uani 1 1 d . . . . .
H96 H 0.684705 0.097214 0.191188 0.046 Uiso 1 1 calc R U . . .
C97 C 0.80215(19) 0.06751(16) 0.16566(15) 0.0354(6) Uani 1 1 d . . . . .
H97 H 0.801224 0.039881 0.214847 0.042 Uiso 1 1 calc R U . . .
C98 C 0.87228(17) 0.07518(15) 0.10687(15) 0.0298(5) Uani 1 1 d . . . . .
H98 H 0.920339 0.053009 0.115670 0.036 Uiso 1 1 calc R U . . .
C99 C 0.87294(15) 0.11540(14) 0.03442(14) 0.0243(5) Uani 1 1 d . . . . .
H99 H 0.922419 0.121251 -0.004447 0.029 Uiso 1 1 calc R U . . .
C100 C 0.88434(13) 0.19474(14) -0.13453(12) 0.0182(4) Uani 1 1 d . . . . .
C101 C 0.93326(14) 0.12961(14) -0.14307(13) 0.0228(5) Uani 1 1 d . . . . .
H101 H 0.914616 0.081840 -0.111081 0.027 Uiso 1 1 calc R U . . .
C102 C 1.00795(15) 0.13269(16) -0.19671(14) 0.0283(5) Uani 1 1 d . . . . .
H102 H 1.039954 0.087867 -0.199001 0.034 Uiso 1 1 calc R U . . .
C103 C 1.03623(15) 0.20029(16) -0.24680(14) 0.0295(6) Uani 1 1 d . . . . .
H103 H 1.087516 0.202521 -0.282875 0.035 Uiso 1 1 calc R U . . .
C104 C 0.98792(15) 0.26444(15) -0.24296(13) 0.0256(5) Uani 1 1 d . . . . .
H104 H 1.005011 0.310761 -0.278165 0.031 Uiso 1 1 calc R U . . .
C105 C 0.91424(14) 0.26133(14) -0.18760(12) 0.0205(5) Uani 1 1 d . . . . .
H105 H 0.882767 0.306514 -0.185753 0.025 Uiso 1 1 calc R U . . .
B1 B 0.79801(15) 0.19125(15) -0.06824(14) 0.0184(5) Uani 1 1 d . . . . .
C106 C 0.28502(13) 0.27385(14) 0.78689(13) 0.0219(5) Uani 1 1 d . . . . .
C107 C 0.29835(13) 0.27709(14) 0.70798(13) 0.0206(5) Uani 1 1 d . . . . .
H107 H 0.315503 0.324676 0.674975 0.025 Uiso 1 1 calc R U . . .
C108 C 0.28767(15) 0.21412(15) 0.67585(14) 0.0271(5) Uani 1 1 d . . . . .
H108 H 0.296358 0.219782 0.622182 0.032 Uiso 1 1 calc R U . . .
C109 C 0.26455(18) 0.14349(17) 0.72129(16) 0.0374(7) Uani 1 1 d . . . . .
H109 H 0.257839 0.100104 0.699520 0.045 Uiso 1 1 calc R U . . .
C110 C 0.2513(2) 0.13721(18) 0.79935(16) 0.0461(8) Uani 1 1 d . . . . .
H110 H 0.235397 0.089002 0.831619 0.055 Uiso 1 1 calc R U . . .
C111 C 0.26116(18) 0.20062(16) 0.83086(14) 0.0353(6) Uani 1 1 d . . . . .
H111 H 0.251340 0.194406 0.884682 0.042 Uiso 1 1 calc R U . . .
C112 C 0.35105(13) 0.34239(15) 0.87905(12) 0.0230(5) Uani 1 1 d . . . . .
C113 C 0.37256(14) 0.40873(17) 0.90274(12) 0.0263(5) Uani 1 1 d . . . . .
H113 H 0.350981 0.456860 0.886317 0.032 Uiso 1 1 calc R U . . .
C114 C 0.42378(15) 0.4065(2) 0.94892(13) 0.0368(7) Uani 1 1 d . . . . .
H114 H 0.435522 0.452299 0.964463 0.044 Uiso 1 1 calc R U . . .
C115 C 0.45798(16) 0.3373(2) 0.97249(15) 0.0468(9) Uani 1 1 d . . . . .
H115 H 0.492896 0.335202 1.004324 0.056 Uiso 1 1 calc R U . . .
C116 C 0.44029(17) 0.2716(2) 0.94881(16) 0.0466(9) Uani 1 1 d . . . . .
H116 H 0.464097 0.224156 0.963582 0.056 Uiso 1 1 calc R U . . .
C117 C 0.38777(16) 0.27441(18) 0.90341(15) 0.0340(6) Uani 1 1 d . . . . .
H117 H 0.376393 0.228227 0.888335 0.041 Uiso 1 1 calc R U . . .
C118 C 0.19519(13) 0.36142(13) 0.87955(11) 0.0175(4) Uani 1 1 d . . . . .
C119 C 0.12805(14) 0.33360(15) 0.86371(12) 0.0228(5) Uani 1 1 d . . . . .
H119 H 0.136443 0.307353 0.821613 0.027 Uiso 1 1 calc R U . . .
C120 C 0.04938(14) 0.34259(14) 0.90680(13) 0.0226(5) Uani 1 1 d . . . . .
H120 H 0.005868 0.321494 0.894553 0.027 Uiso 1 1 calc R U . . .
C121 C 0.03469(13) 0.38232(14) 0.96754(12) 0.0217(5) Uani 1 1 d . . . . .
H121 H -0.018694 0.389065 0.996909 0.026 Uiso 1 1 calc R U . . .
C122 C 0.09914(14) 0.41190(14) 0.98450(12) 0.0206(5) Uani 1 1 d . . . . .
H122 H 0.090013 0.439449 1.025742 0.025 Uiso 1 1 calc R U . . .
C123 C 0.17759(13) 0.40156(13) 0.94143(12) 0.0188(4) Uani 1 1 d . . . . .
H123 H 0.220764 0.422428 0.954392 0.023 Uiso 1 1 calc R U . . .
C124 C 0.31578(14) 0.42491(14) 0.75872(12) 0.0207(5) Uani 1 1 d . . . . .
C125 C 0.26559(16) 0.48482(15) 0.74153(13) 0.0265(5) Uani 1 1 d . . . . .
H125 H 0.211274 0.483456 0.771481 0.032 Uiso 1 1 calc R U . . .
C126 C 0.2922(2) 0.54695(16) 0.68179(14) 0.0363(7) Uani 1 1 d . . . . .
H126 H 0.256576 0.587512 0.672954 0.044 Uiso 1 1 calc R U . . .
C127 C 0.3702(2) 0.54927(17) 0.63564(14) 0.0404(8) Uani 1 1 d . . . . .
H127 H 0.388448 0.590843 0.594552 0.048 Uiso 1 1 calc R U . . .
C128 C 0.42152(18) 0.49002(18) 0.65026(14) 0.0364(7) Uani 1 1 d . . . . .
H128 H 0.474994 0.490597 0.618443 0.044 Uiso 1 1 calc R U . . .
C129 C 0.39539(16) 0.42997(16) 0.71091(13) 0.0272(5) Uani 1 1 d . . . . .
H129 H 0.432163 0.390911 0.720690 0.033 Uiso 1 1 calc R U . . .
B2 B 0.28732(15) 0.34980(16) 0.82652(13) 0.0195(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ru1 Cl1 2.3553(5) . ?
Ru1 P1 2.4097(5) . ?
Ru1 P2 2.4119(5) . ?
Ru1 N1 2.0864(16) . ?
Ru1 C1 1.998(2) . ?
Ru1 C9 1.916(2) . ?
P1 C10 1.829(2) . ?
P1 C16 1.822(2) . ?
P1 C22 1.832(2) . ?
P2 C28 1.831(2) . ?
P2 C34 1.831(2) . ?
P2 C40 1.831(2) . ?
P3 C2 1.782(2) . ?
P3 C46 1.794(2) . ?
P3 C52 1.796(2) . ?
P3 C58 1.803(2) . ?
P4 C8 1.775(2) . ?
P4 C64 1.793(2) . ?
P4 C70 1.798(2) . ?
P4 C76 1.795(2) . ?
N1 C3 1.357(3) . ?
N1 C7 1.362(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.361(3) . ?
C2 C3 1.463(3) . ?
C3 C4 1.396(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.385(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.396(3) . ?
C7 C8 1.464(3) . ?
C8 C9 1.353(3) . ?
C10 C11 1.398(3) . ?
C10 C15 1.396(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.392(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.383(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.382(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.402(3) . ?
C16 C21 1.397(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.400(3) . ?
C22 C27 1.397(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.392(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.387(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.395(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(3) . ?
C28 C33 1.398(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.383(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.387(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.381(4) . ?
C34 C39 1.392(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.391(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.390(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.369(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.392(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.392(3) . ?
C40 C45 1.394(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.388(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.386(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.382(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.390(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.404(3) . ?
C46 C51 1.398(3) . ?
C47 H47 0.9500 . ?
C47 C48 1.385(3) . ?
C48 H48 0.9500 . ?
C48 C49 1.387(3) . ?
C49 H49 0.9500 . ?
C49 C50 1.385(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.387(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.398(3) . ?
C52 C57 1.396(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.387(3) . ?
C54 H54 0.9500 . ?
C54 C55 1.393(4) . ?
C55 H55 0.9500 . ?
C55 C56 1.377(4) . ?
C56 H56 0.9500 . ?
C56 C57 1.392(3) . ?
C57 H57 0.9500 . ?
C58 C59 1.405(3) . ?
C58 C63 1.390(3) . ?
C59 H59 0.9500 . ?
C59 C60 1.386(3) . ?
C60 H60 0.9500 . ?
C60 C61 1.385(3) . ?
C61 H61 0.9500 . ?
C61 C62 1.388(3) . ?
C62 H62 0.9500 . ?
C62 C63 1.388(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.399(3) . ?
C64 C69 1.395(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.388(3) . ?
C66 H66 0.9500 . ?
C66 C67 1.384(3) . ?
C67 H67 0.9500 . ?
C67 C68 1.383(3) . ?
C68 H68 0.9500 . ?
C68 C69 1.394(3) . ?
C69 H69 0.9500 . ?
C70 C71 1.384(3) . ?
C70 C75 1.396(3) . ?
C71 H71 0.9500 . ?
C71 C72 1.389(4) . ?
C72 H72 0.9500 . ?
C72 C73 1.382(4) . ?
C73 H73 0.9500 . ?
C73 C74 1.379(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.383(4) . ?
C75 H75 0.9500 . ?
C76 C77 1.386(4) . ?
C76 C81 1.395(3) . ?
C77 H77 0.9500 . ?
C77 C78 1.393(4) . ?
C78 H78 0.9500 . ?
C78 C79 1.392(5) . ?
C79 H79 0.9500 . ?
C79 C80 1.358(5) . ?
C80 H80 0.9500 . ?
C80 C81 1.387(4) . ?
C81 H81 0.9500 . ?
C82 C83 1.407(3) . ?
C82 C87 1.405(3) . ?
C82 B1 1.652(3) . ?
C83 H83 0.9500 . ?
C83 C84 1.394(3) . ?
C84 H84 0.9500 . ?
C84 C85 1.387(3) . ?
C85 H85 0.9500 . ?
C85 C86 1.379(3) . ?
C86 H86 0.9500 . ?
C86 C87 1.399(3) . ?
C87 H87 0.9500 . ?
C88 C89 1.402(4) . ?
C88 C93 1.402(4) . ?
C88 B1 1.654(3) . ?
C89 H89 0.9500 . ?
C89 C90 1.392(4) . ?
C90 H90 0.9500 . ?
C90 C91 1.371(5) . ?
C91 H91 0.9500 . ?
C91 C92 1.390(5) . ?
C92 H92 0.9500 . ?
C92 C93 1.391(4) . ?
C93 H93 0.9500 . ?
C94 C95 1.406(3) . ?
C94 C99 1.396(3) . ?
C94 B1 1.655(3) . ?
C95 H95 0.9500 . ?
C95 C96 1.388(4) . ?
C96 H96 0.9500 . ?
C96 C97 1.383(5) . ?
C97 H97 0.9500 . ?
C97 C98 1.381(4) . ?
C98 H98 0.9500 . ?
C98 C99 1.399(4) . ?
C99 H99 0.9500 . ?
C100 C101 1.409(3) . ?
C100 C105 1.403(3) . ?
C100 B1 1.647(3) . ?
C101 H101 0.9500 . ?
C101 C102 1.393(3) . ?
C102 H102 0.9500 . ?
C102 C103 1.386(4) . ?
C103 H103 0.9500 . ?
C103 C104 1.384(4) . ?
C104 H104 0.9500 . ?
C104 C105 1.395(3) . ?
C105 H105 0.9500 . ?
C106 C107 1.405(3) . ?
C106 C111 1.408(4) . ?
C106 B2 1.644(4) . ?
C107 H107 0.9500 . ?
C107 C108 1.389(3) . ?
C108 H108 0.9500 . ?
C108 C109 1.378(4) . ?
C109 H109 0.9500 . ?
C109 C110 1.384(4) . ?
C110 H110 0.9500 . ?
C110 C111 1.385(4) . ?
C111 H111 0.9500 . ?
C112 C113 1.415(4) . ?
C112 C117 1.400(4) . ?
C112 B2 1.649(3) . ?
C113 H113 0.9500 . ?
C113 C114 1.387(4) . ?
C114 H114 0.9500 . ?
C114 C115 1.392(5) . ?
C115 H115 0.9500 . ?
C115 C116 1.380(5) . ?
C116 H116 0.9500 . ?
C116 C117 1.394(4) . ?
C117 H117 0.9500 . ?
C118 C119 1.400(3) . ?
C118 C123 1.409(3) . ?
C118 B2 1.654(3) . ?
C119 H119 0.9500 . ?
C119 C120 1.396(3) . ?
C120 H120 0.9500 . ?
C120 C121 1.388(3) . ?
C121 H121 0.9500 . ?
C121 C122 1.382(3) . ?
C122 H122 0.9500 . ?
C122 C123 1.397(3) . ?
C123 H123 0.9500 . ?
C124 C125 1.394(4) . ?
C124 C129 1.414(3) . ?
C124 B2 1.640(3) . ?
C125 H125 0.9500 . ?
C125 C126 1.401(4) . ?
C126 H126 0.9500 . ?
C126 C127 1.384(5) . ?
C127 H127 0.9500 . ?
C127 C128 1.387(5) . ?
C128 H128 0.9500 . ?
C128 C129 1.386(4) . ?
C129 H129 0.9500 . ?

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
Cl1 Ru1 P1 87.230(17) . . ?
Cl1 Ru1 P2 84.756(17) . . ?
P1 Ru1 P2 171.973(17) . . ?
N1 Ru1 Cl1 177.59(5) . . ?
N1 Ru1 P1 92.95(5) . . ?
N1 Ru1 P2 95.04(5) . . ?
C1 Ru1 Cl1 103.11(6) . . ?
C1 Ru1 P1 91.80(6) . . ?
C1 Ru1 P2 89.57(6) . . ?
C1 Ru1 N1 74.48(8) . . ?
C9 Ru1 Cl1 108.29(7) . . ?
C9 Ru1 P1 89.66(6) . . ?
C9 Ru1 P2 93.28(6) . . ?
C9 Ru1 N1 74.12(8) . . ?
C9 Ru1 C1 148.60(9) . . ?
C10 P1 Ru1 115.53(7) . . ?
C10 P1 C22 102.35(9) . . ?
C16 P1 Ru1 113.46(7) . . ?
C16 P1 C10 103.08(10) . . ?
C16 P1 C22 104.43(10) . . ?
C22 P1 Ru1 116.34(7) . . ?
C28 P2 Ru1 113.74(7) . . ?
C28 P2 C34 103.69(10) . . ?
C28 P2 C40 102.10(10) . . ?
C34 P2 Ru1 113.95(7) . . ?
C40 P2 Ru1 117.88(6) . . ?
C40 P2 C34 103.77(10) . . ?
C2 P3 C46 112.22(10) . . ?
C2 P3 C52 108.66(9) . . ?
C2 P3 C58 108.72(10) . . ?
C46 P3 C52 110.42(10) . . ?
C46 P3 C58 106.96(10) . . ?
C52 P3 C58 109.82(10) . . ?
C8 P4 C64 112.87(10) . . ?
C8 P4 C70 109.84(10) . . ?
C8 P4 C76 107.22(10) . . ?
C64 P4 C70 110.71(10) . . ?
C64 P4 C76 107.51(10) . . ?
C76 P4 C70 108.53(11) . . ?
C3 N1 Ru1 119.90(13) . . ?
C3 N1 C7 120.83(17) . . ?
C7 N1 Ru1 119.26(14) . . ?
Ru1 C1 H1 119.1 . . ?
C2 C1 Ru1 121.89(16) . . ?
C2 C1 H1 119.1 . . ?
C1 C2 P3 123.96(16) . . ?
C1 C2 C3 112.74(18) . . ?
C3 C2 P3 123.14(15) . . ?
N1 C3 C2 110.89(17) . . ?
N1 C3 C4 120.44(19) . . ?
C4 C3 C2 128.63(19) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.0(2) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.42(19) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 120.6 . . ?
C5 C6 C7 118.77(19) . . ?
C7 C6 H6 120.6 . . ?
N1 C7 C6 120.48(19) . . ?
N1 C7 C8 110.00(17) . . ?
C6 C7 C8 129.49(19) . . ?
C7 C8 P4 126.91(16) . . ?
C9 C8 P4 121.47(17) . . ?
C9 C8 C7 111.04(19) . . ?
C8 C9 Ru1 125.49(17) . . ?
C11 C10 P1 118.96(18) . . ?
C15 C10 P1 121.34(17) . . ?
C15 C10 C11 119.5(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.9(2) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.1(2) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(2) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.1(2) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 120.0(2) . . ?
C14 C15 H15 120.0 . . ?
C17 C16 P1 117.30(17) . . ?
C21 C16 P1 124.27(16) . . ?
C21 C16 C17 118.4(2) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(2) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.6(2) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(2) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.4(2) . . ?
C20 C21 H21 119.8 . . ?
C23 C22 P1 119.02(16) . . ?
C27 C22 P1 122.21(16) . . ?
C27 C22 C23 118.73(18) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(2) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(2) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.87(19) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.6(2) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 H27 120.0 . . ?
C26 C27 C22 120.1(2) . . ?
C26 C27 H27 120.0 . . ?
C29 C28 P2 119.56(17) . . ?
C29 C28 C33 118.9(2) . . ?
C33 C28 P2 121.50(17) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(2) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.3(2) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 119.9(2) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C28 C33 H33 119.8 . . ?
C32 C33 C28 120.4(2) . . ?
C32 C33 H33 119.8 . . ?
C35 C34 P2 119.27(17) . . ?
C35 C34 C39 119.0(2) . . ?
C39 C34 P2 121.70(19) . . ?
C34 C35 H35 119.5 . . ?
C34 C35 C36 120.9(2) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 H36 120.2 . . ?
C37 C36 C35 119.6(3) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.8(2) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 119.6 . . ?
C37 C38 C39 120.8(2) . . ?
C39 C38 H38 119.6 . . ?
C34 C39 H39 120.1 . . ?
C38 C39 C34 119.9(2) . . ?
C38 C39 H39 120.1 . . ?
C41 C40 P2 123.06(17) . . ?
C41 C40 C45 118.5(2) . . ?
C45 C40 P2 118.02(17) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.4(2) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.7(2) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 120.4 . . ?
C44 C43 C42 119.3(2) . . ?
C44 C43 H43 120.4 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(2) . . ?
C45 C44 H44 119.9 . . ?
C40 C45 H45 119.6 . . ?
C44 C45 C40 120.8(2) . . ?
C44 C45 H45 119.6 . . ?
C47 C46 P3 116.96(17) . . ?
C51 C46 P3 122.58(16) . . ?
C51 C46 C47 120.5(2) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 C46 119.4(2) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.1(2) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 119.8 . . ?
C50 C49 C48 120.4(2) . . ?
C50 C49 H49 119.8 . . ?
C49 C50 H50 119.7 . . ?
C49 C50 C51 120.6(2) . . ?
C51 C50 H50 119.7 . . ?
C46 C51 H51 120.5 . . ?
C50 C51 C46 119.0(2) . . ?
C50 C51 H51 120.5 . . ?
C53 C52 P3 117.26(16) . . ?
C57 C52 P3 122.33(17) . . ?
C57 C52 C53 120.41(19) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 119.9(2) . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 120.3 . . ?
C53 C54 C55 119.4(2) . . ?
C55 C54 H54 120.3 . . ?
C54 C55 H55 119.6 . . ?
C56 C55 C54 120.7(2) . . ?
C56 C55 H55 119.6 . . ?
C55 C56 H56 119.7 . . ?
C55 C56 C57 120.5(2) . . ?
C57 C56 H56 119.7 . . ?
C52 C57 H57 120.5 . . ?
C56 C57 C52 119.0(2) . . ?
C56 C57 H57 120.5 . . ?
C59 C58 P3 118.31(17) . . ?
C63 C58 P3 121.85(15) . . ?
C63 C58 C59 119.8(2) . . ?
C58 C59 H59 120.3 . . ?
C60 C59 C58 119.5(2) . . ?
C60 C59 H59 120.3 . . ?
C59 C60 H60 119.7 . . ?
C61 C60 C59 120.5(2) . . ?
C61 C60 H60 119.7 . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C62 120.0(2) . . ?
C62 C61 H61 120.0 . . ?
C61 C62 H62 119.9 . . ?
C63 C62 C61 120.2(2) . . ?
C63 C62 H62 119.9 . . ?
C58 C63 H63 120.0 . . ?
C62 C63 C58 119.99(19) . . ?
C62 C63 H63 120.0 . . ?
C65 C64 P4 118.04(16) . . ?
C69 C64 P4 121.35(16) . . ?
C69 C64 C65 120.59(18) . . ?
C64 C65 H65 120.3 . . ?
C66 C65 C64 119.4(2) . . ?
C66 C65 H65 120.3 . . ?
C65 C66 H66 119.9 . . ?
C67 C66 C65 120.2(2) . . ?
C67 C66 H66 119.9 . . ?
C66 C67 H67 119.9 . . ?
C68 C67 C66 120.21(19) . . ?
C68 C67 H67 119.9 . . ?
C67 C68 H68 119.6 . . ?
C67 C68 C69 120.7(2) . . ?
C69 C68 H68 119.6 . . ?
C64 C69 H69 120.6 . . ?
C68 C69 C64 118.8(2) . . ?
C68 C69 H69 120.6 . . ?
C71 C70 P4 122.92(17) . . ?
C71 C70 C75 119.6(2) . . ?
C75 C70 P4 117.32(18) . . ?
C70 C71 H71 119.9 . . ?
C70 C71 C72 120.2(2) . . ?
C72 C71 H71 119.9 . . ?
C71 C72 H72 120.0 . . ?
C73 C72 C71 119.9(2) . . ?
C73 C72 H72 120.0 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0(2) . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 119.7 . . ?
C73 C74 C75 120.5(2) . . ?
C75 C74 H74 119.7 . . ?
C70 C75 H75 120.2 . . ?
C74 C75 C70 119.7(2) . . ?
C74 C75 H75 120.2 . . ?
C77 C76 P4 118.56(18) . . ?
C77 C76 C81 120.3(2) . . ?
C81 C76 P4 121.1(2) . . ?
C76 C77 H77 120.2 . . ?
C76 C77 C78 119.6(3) . . ?
C78 C77 H77 120.2 . . ?
C77 C78 H78 120.4 . . ?
C79 C78 C77 119.3(3) . . ?
C79 C78 H78 120.4 . . ?
C78 C79 H79 119.4 . . ?
C80 C79 C78 121.2(3) . . ?
C80 C79 H79 119.4 . . ?
C79 C80 H80 119.9 . . ?
C79 C80 C81 120.2(3) . . ?
C81 C80 H80 119.9 . . ?
C76 C81 H81 120.3 . . ?
C80 C81 C76 119.5(3) . . ?
C80 C81 H81 120.3 . . ?
C83 C82 B1 118.98(19) . . ?
C87 C82 C83 115.3(2) . . ?
C87 C82 B1 125.7(2) . . ?
C82 C83 H83 118.6 . . ?
C84 C83 C82 122.8(2) . . ?
C84 C83 H83 118.6 . . ?
C83 C84 H84 120.0 . . ?
C85 C84 C83 120.0(2) . . ?
C85 C84 H84 120.0 . . ?
C84 C85 H85 120.5 . . ?
C86 C85 C84 119.1(2) . . ?
C86 C85 H85 120.5 . . ?
C85 C86 H86 119.7 . . ?
C85 C86 C87 120.6(2) . . ?
C87 C86 H86 119.7 . . ?
C82 C87 H87 118.9 . . ?
C86 C87 C82 122.2(2) . . ?
C86 C87 H87 118.9 . . ?
C89 C88 B1 126.0(2) . . ?
C93 C88 C89 115.0(2) . . ?
C93 C88 B1 118.9(2) . . ?
C88 C89 H89 118.8 . . ?
C90 C89 C88 122.3(3) . . ?
C90 C89 H89 118.8 . . ?
C89 C90 H90 119.5 . . ?
C91 C90 C89 120.9(3) . . ?
C91 C90 H90 119.5 . . ?
C90 C91 H91 120.6 . . ?
C90 C91 C92 118.9(3) . . ?
C92 C91 H91 120.6 . . ?
C91 C92 H92 120.2 . . ?
C91 C92 C93 119.7(3) . . ?
C93 C92 H92 120.2 . . ?
C88 C93 H93 118.4 . . ?
C92 C93 C88 123.2(3) . . ?
C92 C93 H93 118.4 . . ?
C95 C94 B1 119.1(2) . . ?
C99 C94 C95 114.5(2) . . ?
C99 C94 B1 126.4(2) . . ?
C94 C95 H95 118.4 . . ?
C96 C95 C94 123.2(3) . . ?
C96 C95 H95 118.4 . . ?
C95 C96 H96 119.8 . . ?
C97 C96 C95 120.4(3) . . ?
C97 C96 H96 119.8 . . ?
C96 C97 H97 120.8 . . ?
C98 C97 C96 118.5(2) . . ?
C98 C97 H97 120.8 . . ?
C97 C98 H98 119.8 . . ?
C97 C98 C99 120.4(3) . . ?
C99 C98 H98 119.8 . . ?
C94 C99 C98 123.0(2) . . ?
C94 C99 H99 118.5 . . ?
C98 C99 H99 118.5 . . ?
C101 C100 B1 121.9(2) . . ?
C105 C100 C101 114.7(2) . . ?
C105 C100 B1 123.3(2) . . ?
C100 C101 H101 118.8 . . ?
C102 C101 C100 122.4(2) . . ?
C102 C101 H101 118.8 . . ?
C101 C102 H102 119.6 . . ?
C103 C102 C101 120.9(2) . . ?
C103 C102 H102 119.6 . . ?
C102 C103 H103 120.8 . . ?
C104 C103 C102 118.4(2) . . ?
C104 C103 H103 120.8 . . ?
C103 C104 H104 119.9 . . ?
C103 C104 C105 120.2(2) . . ?
C105 C104 H104 119.9 . . ?
C100 C105 H105 118.4 . . ?
C104 C105 C100 123.2(2) . . ?
C104 C105 H105 118.4 . . ?
C82 B1 C88 109.81(18) . . ?
C82 B1 C94 106.75(17) . . ?
C88 B1 C94 111.04(19) . . ?
C100 B1 C82 108.94(19) . . ?
C100 B1 C88 107.43(17) . . ?
C100 B1 C94 112.85(18) . . ?
C107 C106 C111 114.1(2) . . ?
C107 C106 B2 123.7(2) . . ?
C111 C106 B2 121.9(2) . . ?
C106 C107 H107 118.4 . . ?
C108 C107 C106 123.2(2) . . ?
C108 C107 H107 118.4 . . ?
C107 C108 H108 119.8 . . ?
C109 C108 C107 120.5(2) . . ?
C109 C108 H108 119.8 . . ?
C108 C109 H109 120.8 . . ?
C108 C109 C110 118.5(3) . . ?
C110 C109 H109 120.8 . . ?
C109 C110 H110 119.7 . . ?
C109 C110 C111 120.6(3) . . ?
C111 C110 H110 119.7 . . ?
C106 C111 H111 118.4 . . ?
C110 C111 C106 123.1(2) . . ?
C110 C111 H111 118.4 . . ?
C113 C112 B2 119.6(2) . . ?
C117 C112 C113 114.9(2) . . ?
C117 C112 B2 125.5(2) . . ?
C112 C113 H113 118.6 . . ?
C114 C113 C112 122.8(3) . . ?
C114 C113 H113 118.6 . . ?
C113 C114 H114 120.0 . . ?
C113 C114 C115 120.1(3) . . ?
C115 C114 H114 120.0 . . ?
C114 C115 H115 120.6 . . ?
C116 C115 C114 118.9(3) . . ?
C116 C115 H115 120.6 . . ?
C115 C116 H116 119.8 . . ?
C115 C116 C117 120.5(3) . . ?
C117 C116 H116 119.8 . . ?
C112 C117 H117 118.6 . . ?
C116 C117 C112 122.8(3) . . ?
C116 C117 H117 118.6 . . ?
C119 C118 C123 114.94(19) . . ?
C119 C118 B2 121.40(19) . . ?
C123 C118 B2 123.6(2) . . ?
C118 C119 H119 118.4 . . ?
C120 C119 C118 123.1(2) . . ?
C120 C119 H119 118.4 . . ?
C119 C120 H120 120.0 . . ?
C121 C120 C119 120.0(2) . . ?
C121 C120 H120 120.0 . . ?
C120 C121 H121 120.6 . . ?
C122 C121 C120 118.8(2) . . ?
C122 C121 H121 120.6 . . ?
C121 C122 H122 119.8 . . ?
C121 C122 C123 120.5(2) . . ?
C123 C122 H122 119.8 . . ?
C118 C123 H123 118.7 . . ?
C122 C123 C118 122.6(2) . . ?
C122 C123 H123 118.7 . . ?
C125 C124 C129 115.7(2) . . ?
C125 C124 B2 124.6(2) . . ?
C129 C124 B2 119.7(2) . . ?
C124 C125 H125 118.7 . . ?
C124 C125 C126 122.5(3) . . ?
C126 C125 H125 118.7 . . ?
C125 C126 H126 120.0 . . ?
C127 C126 C125 120.0(3) . . ?
C127 C126 H126 120.0 . . ?
C126 C127 H127 120.5 . . ?
C126 C127 C128 119.0(2) . . ?
C128 C127 H127 120.5 . . ?
C127 C128 H128 119.7 . . ?
C129 C128 C127 120.5(3) . . ?
C129 C128 H128 119.7 . . ?
C124 C129 H129 118.9 . . ?
C128 C129 C124 122.2(3) . . ?
C128 C129 H129 118.9 . . ?
C106 B2 C112 113.5(2) . . ?
C106 B2 C118 107.15(18) . . ?
C112 B2 C118 110.09(17) . . ?
C124 B2 C106 108.61(17) . . ?
C124 B2 C112 107.05(19) . . ?
C124 B2 C118 110.42(19) . . ?

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
Ru1 P1 C10 C11 159.57(14) . . . . ?
Ru1 P1 C10 C15 -25.34(19) . . . . ?
Ru1 P1 C16 C17 -57.57(19) . . . . ?
Ru1 P1 C16 C21 123.38(17) . . . . ?
Ru1 P1 C22 C23 -59.2(2) . . . . ?
Ru1 P1 C22 C27 122.95(18) . . . . ?
Ru1 P2 C28 C29 -41.92(18) . . . . ?
Ru1 P2 C28 C33 139.67(15) . . . . ?
Ru1 P2 C34 C35 -66.8(2) . . . . ?
Ru1 P2 C34 C39 113.21(18) . . . . ?
Ru1 P2 C40 C41 137.19(18) . . . . ?
Ru1 P2 C40 C45 -50.0(2) . . . . ?
Ru1 N1 C3 C2 -1.7(2) . . . . ?
Ru1 N1 C3 C4 -179.43(15) . . . . ?
Ru1 N1 C7 C6 179.51(15) . . . . ?
Ru1 N1 C7 C8 -2.1(2) . . . . ?
Ru1 C1 C2 P3 178.40(10) . . . . ?
Ru1 C1 C2 C3 2.9(2) . . . . ?
P1 C10 C11 C12 174.85(17) . . . . ?
P1 C10 C15 C14 -174.99(17) . . . . ?
P1 C16 C17 C18 179.88(19) . . . . ?
P1 C16 C21 C20 -178.47(17) . . . . ?
P1 C22 C23 C24 -176.69(17) . . . . ?
P1 C22 C27 C26 176.44(18) . . . . ?
P2 C28 C29 C30 -178.45(17) . . . . ?
P2 C28 C33 C32 -179.45(17) . . . . ?
P2 C34 C35 C36 -178.7(2) . . . . ?
P2 C34 C39 C38 179.85(19) . . . . ?
P2 C40 C41 C42 172.88(19) . . . . ?
P2 C40 C45 C44 -173.40(19) . . . . ?
P3 C2 C3 N1 -176.21(14) . . . . ?
P3 C2 C3 C4 1.3(3) . . . . ?
P3 C46 C47 C48 179.46(15) . . . . ?
P3 C46 C51 C50 179.57(16) . . . . ?
P3 C52 C53 C54 177.81(18) . . . . ?
P3 C52 C57 C56 -177.88(18) . . . . ?
P3 C58 C59 C60 -179.30(18) . . . . ?
P3 C58 C63 C62 179.79(18) . . . . ?
P4 C8 C9 Ru1 173.93(11) . . . . ?
P4 C64 C65 C66 -179.1(2) . . . . ?
P4 C64 C69 C68 179.50(17) . . . . ?
P4 C70 C71 C72 -173.99(19) . . . . ?
P4 C70 C75 C74 175.6(2) . . . . ?
P4 C76 C77 C78 178.3(2) . . . . ?
P4 C76 C81 C80 -178.7(2) . . . . ?
N1 C3 C4 C5 0.7(3) . . . . ?
N1 C7 C8 P4 -171.08(15) . . . . ?
N1 C7 C8 C9 0.2(2) . . . . ?
C1 C2 C3 N1 -0.6(2) . . . . ?
C1 C2 C3 C4 176.9(2) . . . . ?
C2 P3 C46 C47 -168.13(14) . . . . ?
C2 P3 C46 C51 11.28(19) . . . . ?
C2 P3 C52 C53 49.1(2) . . . . ?
C2 P3 C52 C57 -131.26(19) . . . . ?
C2 P3 C58 C59 84.41(19) . . . . ?
C2 P3 C58 C63 -95.51(19) . . . . ?
C2 C3 C4 C5 -176.6(2) . . . . ?
C3 N1 C7 C6 -0.3(3) . . . . ?
C3 N1 C7 C8 178.05(17) . . . . ?
C3 C4 C5 C6 -1.9(3) . . . . ?
C4 C5 C6 C7 2.0(3) . . . . ?
C5 C6 C7 N1 -0.9(3) . . . . ?
C5 C6 C7 C8 -178.9(2) . . . . ?
C6 C7 C8 P4 7.1(3) . . . . ?
C6 C7 C8 C9 178.4(2) . . . . ?
C7 N1 C3 C2 178.14(17) . . . . ?
C7 N1 C3 C4 0.4(3) . . . . ?
C7 C8 C9 Ru1 2.1(3) . . . . ?
C8 P4 C64 C65 -174.91(18) . . . . ?
C8 P4 C64 C69 3.3(2) . . . . ?
C8 P4 C70 C71 -142.49(19) . . . . ?
C8 P4 C70 C75 42.2(2) . . . . ?
C8 P4 C76 C77 81.3(2) . . . . ?
C8 P4 C76 C81 -99.7(2) . . . . ?
C10 P1 C16 C17 68.11(19) . . . . ?
C10 P1 C16 C21 -110.95(19) . . . . ?
C10 P1 C22 C23 173.92(18) . . . . ?
C10 P1 C22 C27 -4.0(2) . . . . ?
C10 C11 C12 C13 0.5(3) . . . . ?
C11 C10 C15 C14 0.1(3) . . . . ?
C11 C12 C13 C14 -0.3(4) . . . . ?
C12 C13 C14 C15 0.0(4) . . . . ?
C13 C14 C15 C10 0.1(4) . . . . ?
C15 C10 C11 C12 -0.3(3) . . . . ?
C16 P1 C10 C11 35.24(18) . . . . ?
C16 P1 C10 C15 -149.66(17) . . . . ?
C16 P1 C22 C23 66.7(2) . . . . ?
C16 P1 C22 C27 -111.2(2) . . . . ?
C16 C17 C18 C19 -1.4(4) . . . . ?
C17 C16 C21 C20 2.5(3) . . . . ?
C17 C18 C19 C20 2.4(4) . . . . ?
C18 C19 C20 C21 -0.9(4) . . . . ?
C19 C20 C21 C16 -1.6(3) . . . . ?
C21 C16 C17 C18 -1.0(3) . . . . ?
C22 P1 C10 C11 -72.99(18) . . . . ?
C22 P1 C10 C15 102.11(18) . . . . ?
C22 P1 C16 C17 174.76(17) . . . . ?
C22 P1 C16 C21 -4.3(2) . . . . ?
C22 C23 C24 C25 0.2(3) . . . . ?
C23 C22 C27 C26 -1.5(3) . . . . ?
C23 C24 C25 C26 -1.5(4) . . . . ?
C24 C25 C26 C27 1.3(4) . . . . ?
C25 C26 C27 C22 0.2(4) . . . . ?
C27 C22 C23 C24 1.3(3) . . . . ?
C28 P2 C34 C35 169.0(2) . . . . ?
C28 P2 C34 C39 -11.0(2) . . . . ?
C28 P2 C40 C41 -97.4(2) . . . . ?
C28 P2 C40 C45 75.37(19) . . . . ?
C28 C29 C30 C31 -2.1(3) . . . . ?
C29 C28 C33 C32 2.1(3) . . . . ?
C29 C30 C31 C32 2.1(4) . . . . ?
C30 C31 C32 C33 0.1(4) . . . . ?
C31 C32 C33 C28 -2.2(3) . . . . ?
C33 C28 C29 C30 0.0(3) . . . . ?
C34 P2 C28 C29 82.39(18) . . . . ?
C34 P2 C28 C33 -96.03(18) . . . . ?
C34 P2 C40 C41 10.1(2) . . . . ?
C34 P2 C40 C45 -177.07(18) . . . . ?
C34 C35 C36 C37 -1.5(4) . . . . ?
C35 C34 C39 C38 -0.1(4) . . . . ?
C35 C36 C37 C38 0.6(4) . . . . ?
C36 C37 C38 C39 0.6(4) . . . . ?
C37 C38 C39 C34 -0.8(4) . . . . ?
C39 C34 C35 C36 1.2(4) . . . . ?
C40 P2 C28 C29 -169.99(17) . . . . ?
C40 P2 C28 C33 11.60(19) . . . . ?
C40 P2 C34 C35 62.6(2) . . . . ?
C40 P2 C34 C39 -117.3(2) . . . . ?
C40 C41 C42 C43 0.2(4) . . . . ?
C41 C40 C45 C44 -0.3(4) . . . . ?
C41 C42 C43 C44 -0.4(4) . . . . ?
C42 C43 C44 C45 0.3(4) . . . . ?
C43 C44 C45 C40 0.1(4) . . . . ?
C45 C40 C41 C42 0.1(4) . . . . ?
C46 P3 C2 C1 113.55(18) . . . . ?
C46 P3 C2 C3 -71.38(18) . . . . ?
C46 P3 C52 C53 172.57(17) . . . . ?
C46 P3 C52 C57 -7.8(2) . . . . ?
C46 P3 C58 C59 -37.0(2) . . . . ?
C46 P3 C58 C63 143.10(18) . . . . ?
C46 C47 C48 C49 0.7(3) . . . . ?
C47 C46 C51 C50 -1.0(3) . . . . ?
C47 C48 C49 C50 -0.3(3) . . . . ?
C48 C49 C50 C51 -0.7(3) . . . . ?
C49 C50 C51 C46 1.4(3) . . . . ?
C51 C46 C47 C48 0.0(3) . . . . ?
C52 P3 C2 C1 -124.06(18) . . . . ?
C52 P3 C2 C3 51.01(19) . . . . ?
C52 P3 C46 C47 70.48(17) . . . . ?
C52 P3 C46 C51 -110.10(17) . . . . ?
C52 P3 C58 C59 -156.82(17) . . . . ?
C52 P3 C58 C63 23.3(2) . . . . ?
C52 C53 C54 C55 0.2(4) . . . . ?
C53 C52 C57 C56 1.8(3) . . . . ?
C53 C54 C55 C56 1.5(4) . . . . ?
C54 C55 C56 C57 -1.5(4) . . . . ?
C55 C56 C57 C52 -0.1(4) . . . . ?
C57 C52 C53 C54 -1.8(3) . . . . ?
C58 P3 C2 C1 -4.6(2) . . . . ?
C58 P3 C2 C3 170.51(16) . . . . ?
C58 P3 C46 C47 -48.98(17) . . . . ?
C58 P3 C46 C51 130.44(17) . . . . ?
C58 P3 C52 C53 -69.72(19) . . . . ?
C58 P3 C52 C57 109.9(2) . . . . ?
C58 C59 C60 C61 -0.8(4) . . . . ?
C59 C58 C63 C62 -0.1(3) . . . . ?
C59 C60 C61 C62 0.5(4) . . . . ?
C60 C61 C62 C63 0.0(4) . . . . ?
C61 C62 C63 C58 -0.2(4) . . . . ?
C63 C58 C59 C60 0.6(3) . . . . ?
C64 P4 C8 C7 -62.3(2) . . . . ?
C64 P4 C8 C9 127.23(18) . . . . ?
C64 P4 C70 C71 -17.2(2) . . . . ?
C64 P4 C70 C75 167.50(19) . . . . ?
C64 P4 C76 C77 -40.3(2) . . . . ?
C64 P4 C76 C81 138.71(19) . . . . ?
C64 C65 C66 C67 -1.0(4) . . . . ?
C65 C64 C69 C68 -2.3(3) . . . . ?
C65 C66 C67 C68 -1.0(4) . . . . ?
C66 C67 C68 C69 1.4(4) . . . . ?
C67 C68 C69 C64 0.3(3) . . . . ?
C69 C64 C65 C66 2.7(4) . . . . ?
C70 P4 C8 C7 61.8(2) . . . . ?
C70 P4 C8 C9 -108.71(19) . . . . ?
C70 P4 C64 C65 61.5(2) . . . . ?
C70 P4 C64 C69 -120.29(19) . . . . ?
C70 P4 C76 C77 -160.08(19) . . . . ?
C70 P4 C76 C81 18.9(2) . . . . ?
C70 C71 C72 C73 -1.1(4) . . . . ?
C71 C70 C75 C74 0.1(4) . . . . ?
C71 C72 C73 C74 -0.5(4) . . . . ?
C72 C73 C74 C75 1.8(5) . . . . ?
C73 C74 C75 C70 -1.6(5) . . . . ?
C75 C70 C71 C72 1.2(4) . . . . ?
C76 P4 C8 C7 179.51(18) . . . . ?
C76 P4 C8 C9 9.0(2) . . . . ?
C76 P4 C64 C65 -56.9(2) . . . . ?
C76 P4 C64 C69 121.32(19) . . . . ?
C76 P4 C70 C71 100.6(2) . . . . ?
C76 P4 C70 C75 -74.7(2) . . . . ?
C76 C77 C78 C79 0.1(4) . . . . ?
C77 C76 C81 C80 0.3(4) . . . . ?
C77 C78 C79 C80 0.9(5) . . . . ?
C78 C79 C80 C81 -1.3(5) . . . . ?
C79 C80 C81 C76 0.7(4) . . . . ?
C81 C76 C77 C78 -0.7(4) . . . . ?
C82 C83 C84 C85 0.4(3) . . . . ?
C83 C82 C87 C86 0.4(3) . . . . ?
C83 C82 B1 C88 -178.67(18) . . . . ?
C83 C82 B1 C94 60.9(2) . . . . ?
C83 C82 B1 C100 -61.3(2) . . . . ?
C83 C84 C85 C86 -0.1(3) . . . . ?
C84 C85 C86 C87 0.0(3) . . . . ?
C85 C86 C87 C82 -0.1(3) . . . . ?
C87 C82 C83 C84 -0.5(3) . . . . ?
C87 C82 B1 C88 0.6(3) . . . . ?
C87 C82 B1 C94 -119.9(2) . . . . ?
C87 C82 B1 C100 118.0(2) . . . . ?
C88 C89 C90 C91 -0.2(4) . . . . ?
C89 C88 C93 C92 0.0(3) . . . . ?
C89 C88 B1 C82 -110.1(2) . . . . ?
C89 C88 B1 C94 7.7(3) . . . . ?
C89 C88 B1 C100 131.5(2) . . . . ?
C89 C90 C91 C92 0.4(4) . . . . ?
C90 C91 C92 C93 -0.4(4) . . . . ?
C91 C92 C93 C88 0.2(4) . . . . ?
C93 C88 C89 C90 0.1(3) . . . . ?
C93 C88 B1 C82 68.4(2) . . . . ?
C93 C88 B1 C94 -173.75(19) . . . . ?
C93 C88 B1 C100 -49.9(3) . . . . ?
C94 C95 C96 C97 0.8(5) . . . . ?
C95 C94 C99 C98 3.8(4) . . . . ?
C95 C94 B1 C82 60.4(3) . . . . ?
C95 C94 B1 C88 -59.3(3) . . . . ?
C95 C94 B1 C100 -180.0(2) . . . . ?
C95 C96 C97 C98 1.2(4) . . . . ?
C96 C97 C98 C99 -0.6(4) . . . . ?
C97 C98 C99 C94 -2.1(4) . . . . ?
C99 C94 C95 C96 -3.2(4) . . . . ?
C99 C94 B1 C82 -119.6(2) . . . . ?
C99 C94 B1 C88 120.7(2) . . . . ?
C99 C94 B1 C100 0.1(3) . . . . ?
C100 C101 C102 C103 -2.7(4) . . . . ?
C101 C100 C105 C104 -2.3(3) . . . . ?
C101 C100 B1 C82 165.1(2) . . . . ?
C101 C100 B1 C88 -76.0(3) . . . . ?
C101 C100 B1 C94 46.7(3) . . . . ?
C101 C102 C103 C104 -0.9(4) . . . . ?
C102 C103 C104 C105 2.7(4) . . . . ?
C103 C104 C105 C100 -1.1(4) . . . . ?
C105 C100 C101 C102 4.2(3) . . . . ?
C105 C100 B1 C82 -16.3(3) . . . . ?
C105 C100 B1 C88 102.6(2) . . . . ?
C105 C100 B1 C94 -134.7(2) . . . . ?
B1 C82 C83 C84 178.80(19) . . . . ?
B1 C82 C87 C86 -178.9(2) . . . . ?
B1 C88 C89 C90 178.7(2) . . . . ?
B1 C88 C93 C92 -178.8(2) . . . . ?
B1 C94 C95 C96 176.8(3) . . . . ?
B1 C94 C99 C98 -176.2(2) . . . . ?
B1 C100 C101 C102 -177.1(2) . . . . ?
B1 C100 C105 C104 179.0(2) . . . . ?
C106 C107 C108 C109 -1.4(4) . . . . ?
C107 C106 C111 C110 -0.2(4) . . . . ?
C107 C106 B2 C112 -124.4(2) . . . . ?
C107 C106 B2 C118 113.9(2) . . . . ?
C107 C106 B2 C124 -5.4(3) . . . . ?
C107 C108 C109 C110 0.8(4) . . . . ?
C108 C109 C110 C111 0.0(5) . . . . ?
C109 C110 C111 C106 -0.3(5) . . . . ?
C111 C106 C107 C108 1.1(4) . . . . ?
C111 C106 B2 C112 62.3(3) . . . . ?
C111 C106 B2 C118 -59.5(3) . . . . ?
C111 C106 B2 C124 -178.8(2) . . . . ?
C112 C113 C114 C115 1.6(3) . . . . ?
C113 C112 C117 C116 1.2(3) . . . . ?
C113 C112 B2 C106 166.18(18) . . . . ?
C113 C112 B2 C118 -73.7(2) . . . . ?
C113 C112 B2 C124 46.3(2) . . . . ?
C113 C114 C115 C116 0.3(4) . . . . ?
C114 C115 C116 C117 -1.3(4) . . . . ?
C115 C116 C117 C112 0.5(4) . . . . ?
C117 C112 C113 C114 -2.3(3) . . . . ?
C117 C112 B2 C106 -13.6(3) . . . . ?
C117 C112 B2 C118 106.5(2) . . . . ?
C117 C112 B2 C124 -133.4(2) . . . . ?
C118 C119 C120 C121 1.6(4) . . . . ?
C119 C118 C123 C122 0.9(3) . . . . ?
C119 C118 B2 C106 -25.1(3) . . . . ?
C119 C118 B2 C112 -148.9(2) . . . . ?
C119 C118 B2 C124 93.1(3) . . . . ?
C119 C120 C121 C122 -0.5(4) . . . . ?
C120 C121 C122 C123 -0.3(3) . . . . ?
C121 C122 C123 C118 0.1(4) . . . . ?
C123 C118 C119 C120 -1.8(3) . . . . ?
C123 C118 B2 C106 157.2(2) . . . . ?
C123 C118 B2 C112 33.3(3) . . . . ?
C123 C118 B2 C124 -84.7(3) . . . . ?
C124 C125 C126 C127 2.1(4) . . . . ?
C125 C124 C129 C128 -0.9(3) . . . . ?
C125 C124 B2 C106 108.8(2) . . . . ?
C125 C124 B2 C112 -128.3(2) . . . . ?
C125 C124 B2 C118 -8.5(3) . . . . ?
C125 C126 C127 C128 -0.9(4) . . . . ?
C126 C127 C128 C129 -1.0(4) . . . . ?
C127 C128 C129 C124 2.0(4) . . . . ?
C129 C124 C125 C126 -1.1(3) . . . . ?
C129 C124 B2 C106 -68.4(3) . . . . ?
C129 C124 B2 C112 54.5(3) . . . . ?
C129 C124 B2 C118 174.4(2) . . . . ?
B2 C106 C107 C108 -172.7(2) . . . . ?
B2 C106 C111 C110 173.7(3) . . . . ?
B2 C112 C113 C114 177.94(19) . . . . ?
B2 C112 C117 C116 -179.0(2) . . . . ?
B2 C118 C119 C120 -179.7(2) . . . . ?
B2 C118 C123 C122 178.7(2) . . . . ?
B2 C124 C125 C126 -178.4(2) . . . . ?
B2 C124 C129 C128 176.5(2) . . . . ?

_smtbx_masks_special_details     ?
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 10.9 0.0 ?
2 0.500 0.000 0.500 707.3 195.5 ?
3 0.478 0.444 0.083 7.3 0.0 ?
4 0.522 0.556 0.917 7.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_10a
_database_code_depnum_ccdc_archive 'CCDC 2314891'
loop_
_audit_author_name
_audit_author_address
'Complex Tena'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-05-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H49 Cl2 N Os P3 S, F6 P'
_chemical_formula_sum            'C63 H49 Cl2 F6 N Os P4 S'
_chemical_formula_weight         1351.07
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1630(7)
_cell_length_b                   14.2184(7)
_cell_length_c                   15.9648(8)
_cell_angle_alpha                98.109(2)
_cell_angle_beta                 106.294(2)
_cell_angle_gamma                101.236(2)
_cell_volume                     2960.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9651
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      72.15
_cell_measurement_theta_min      3.70
_shelx_estimated_absorpt_T_max   0.552
_shelx_estimated_absorpt_T_min   0.552
_exptl_absorpt_coefficient_mu    6.744
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5757
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1172 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.7639.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            79552
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.255
_diffrn_reflns_theta_min         2.948
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10917
_reflns_number_total             11652
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.688
_refine_diff_density_min         -1.614
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         11652
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0311
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0380P)²+7.4241P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0792
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), 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),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.33999(2) 0.29943(2) 0.62085(2) 0.01285(5) Uani 1 1 d . . . . .
Cl1 Cl 0.57207(6) 0.60307(6) 0.69278(5) 0.02571(17) Uani 1 1 d . . . . .
Cl2 Cl 0.25546(6) 0.15268(5) 0.50697(5) 0.01906(15) Uani 1 1 d . . . . .
S1 S 0.43864(6) 0.36693(6) 0.52138(5) 0.02196(16) Uani 1 1 d . . . . .
P1 P 0.20707(6) 0.37289(6) 0.55047(5) 0.01569(15) Uani 1 1 d . . . . .
P2 P 0.48096(6) 0.22961(6) 0.68098(5) 0.01574(15) Uani 1 1 d . . . . .
P3 P 0.19280(6) 0.22398(5) 0.83879(5) 0.01422(15) Uani 1 1 d . . . . .
N1 N 0.37912(19) 0.39726(18) 0.74397(16) 0.0131(5) Uani 1 1 d . . . . .
C1 C 0.2540(2) 0.2347(2) 0.6891(2) 0.0152(6) Uani 1 1 d . . . . .
H1 H 0.207425 0.172857 0.661967 0.018 Uiso 1 1 calc R U . . .
C2 C 0.2619(2) 0.2783(2) 0.7733(2) 0.0140(6) Uani 1 1 d . . . . .
C3 C 0.3356(2) 0.3729(2) 0.8068(2) 0.0140(6) Uani 1 1 d . . . . .
C4 C 0.3614(2) 0.4362(2) 0.8888(2) 0.0172(6) Uani 1 1 d . . . . .
H4 H 0.331954 0.418165 0.932649 0.021 Uiso 1 1 calc R U . . .
C5 C 0.4307(3) 0.5264(2) 0.9064(2) 0.0201(6) Uani 1 1 d . . . . .
H5 H 0.447867 0.570463 0.961978 0.024 Uiso 1 1 calc R U . . .
C6 C 0.4741(2) 0.5514(2) 0.8431(2) 0.0189(6) Uani 1 1 d . . . . .
H6 H 0.521444 0.612807 0.854518 0.023 Uiso 1 1 calc R U . . .
C7 C 0.4477(2) 0.4854(2) 0.7620(2) 0.0152(6) Uani 1 1 d . . . . .
C8 C 0.4837(2) 0.4982(2) 0.6884(2) 0.0176(6) Uani 1 1 d . . . . .
C9 C 0.4446(2) 0.4214(2) 0.6199(2) 0.0180(6) Uani 1 1 d . . . . .
C10 C 0.2488(2) 0.5063(2) 0.5818(2) 0.0179(6) Uani 1 1 d . . . . .
C11 C 0.2829(3) 0.5584(2) 0.5233(2) 0.0224(7) Uani 1 1 d . . . . .
H11 H 0.277374 0.525008 0.465559 0.027 Uiso 1 1 calc R U . . .
C12 C 0.3248(3) 0.6589(3) 0.5499(3) 0.0277(8) Uani 1 1 d . . . . .
H12 H 0.348536 0.694106 0.510415 0.033 Uiso 1 1 calc R U . . .
C13 C 0.3321(3) 0.7081(3) 0.6338(3) 0.0301(8) Uani 1 1 d . . . . .
H13 H 0.359478 0.777043 0.651126 0.036 Uiso 1 1 calc R U . . .
C14 C 0.2997(3) 0.6569(3) 0.6924(2) 0.0281(8) Uani 1 1 d . . . . .
H14 H 0.304838 0.690597 0.749886 0.034 Uiso 1 1 calc R U . . .
C15 C 0.2596(3) 0.5564(3) 0.6669(2) 0.0221(7) Uani 1 1 d . . . . .
H15 H 0.239291 0.521288 0.707878 0.027 Uiso 1 1 calc R U . . .
C16 C 0.0864(2) 0.3374(3) 0.5731(2) 0.0209(7) Uani 1 1 d . . . . .
C17 C 0.0397(3) 0.4030(3) 0.6095(3) 0.0293(8) Uani 1 1 d . . . . .
H17 H 0.074439 0.470186 0.631136 0.035 Uiso 1 1 calc R U . . .
C18 C -0.0575(3) 0.3702(3) 0.6140(3) 0.0422(10) Uani 1 1 d . . . . .
H18 H -0.088005 0.414749 0.640677 0.051 Uiso 1 1 calc R U . . .
C19 C -0.1096(3) 0.2740(4) 0.5803(4) 0.0448(12) Uani 1 1 d . . . . .
H19 H -0.176577 0.252367 0.582507 0.054 Uiso 1 1 calc R U . . .
C20 C -0.0645(3) 0.2080(3) 0.5429(3) 0.0379(10) Uani 1 1 d . . . . .
H20 H -0.101005 0.141626 0.518798 0.045 Uiso 1 1 calc R U . . .
C21 C 0.0339(3) 0.2391(3) 0.5407(3) 0.0279(8) Uani 1 1 d . . . . .
H21 H 0.065548 0.193414 0.517236 0.033 Uiso 1 1 calc R U . . .
C22 C 0.1565(3) 0.3497(2) 0.4276(2) 0.0202(7) Uani 1 1 d . . . . .
C23 C 0.0652(3) 0.3749(3) 0.3900(2) 0.0281(8) Uani 1 1 d . . . . .
H23 H 0.032182 0.402852 0.427745 0.034 Uiso 1 1 calc R U . . .
C24 C 0.0225(3) 0.3593(3) 0.2981(2) 0.0321(8) Uani 1 1 d . . . . .
H24 H -0.039361 0.376625 0.273248 0.038 Uiso 1 1 calc R U . . .
C25 C 0.0702(3) 0.3185(3) 0.2425(2) 0.0292(8) Uani 1 1 d . . . . .
H25 H 0.041115 0.307740 0.179566 0.035 Uiso 1 1 calc R U . . .
C26 C 0.1600(3) 0.2938(3) 0.2789(2) 0.0273(8) Uani 1 1 d . . . . .
H26 H 0.192958 0.266365 0.240843 0.033 Uiso 1 1 calc R U . . .
C27 C 0.2031(3) 0.3085(3) 0.3714(2) 0.0236(7) Uani 1 1 d . . . . .
H27 H 0.264490 0.290186 0.395805 0.028 Uiso 1 1 calc R U . . .
C28 C 0.5402(3) 0.1726(2) 0.6049(2) 0.0215(7) Uani 1 1 d . . . . .
C29 C 0.4964(3) 0.1486(2) 0.5126(2) 0.0251(7) Uani 1 1 d . . . . .
H29 H 0.434168 0.164253 0.485466 0.030 Uiso 1 1 calc R U . . .
C30 C 0.5442(3) 0.1016(3) 0.4599(3) 0.0308(8) Uani 1 1 d . . . . .
H30 H 0.514503 0.085914 0.396827 0.037 Uiso 1 1 calc R U . . .
C31 C 0.6339(3) 0.0778(3) 0.4985(3) 0.0342(9) Uani 1 1 d . . . . .
H31 H 0.665867 0.045947 0.462025 0.041 Uiso 1 1 calc R U . . .
C32 C 0.6776(3) 0.1001(3) 0.5906(3) 0.0349(9) Uani 1 1 d . . . . .
H32 H 0.738983 0.082891 0.617223 0.042 Uiso 1 1 calc R U . . .
C33 C 0.6312(3) 0.1478(3) 0.6438(3) 0.0292(8) Uani 1 1 d . . . . .
H33 H 0.661444 0.163627 0.706786 0.035 Uiso 1 1 calc R U . . .
C34 C 0.4576(3) 0.1304(2) 0.7404(2) 0.0208(7) Uani 1 1 d . . . . .
C35 C 0.5311(3) 0.1162(3) 0.8132(2) 0.0259(7) Uani 1 1 d . . . . .
H35 H 0.595213 0.162181 0.837353 0.031 Uiso 1 1 calc R U . . .
C36 C 0.5108(3) 0.0350(3) 0.8505(3) 0.0330(9) Uani 1 1 d . . . . .
H36 H 0.560928 0.026261 0.900553 0.040 Uiso 1 1 calc R U . . .
C37 C 0.4180(3) -0.0334(3) 0.8154(3) 0.0338(9) Uani 1 1 d . . . . .
H37 H 0.404487 -0.088492 0.841482 0.041 Uiso 1 1 calc R U . . .
C38 C 0.3450(3) -0.0210(3) 0.7419(3) 0.0291(8) Uani 1 1 d . . . . .
H38 H 0.281811 -0.068362 0.716898 0.035 Uiso 1 1 calc R U . . .
C39 C 0.3644(3) 0.0608(2) 0.7046(2) 0.0225(7) Uani 1 1 d . . . . .
H39 H 0.313931 0.069358 0.654685 0.027 Uiso 1 1 calc R U . . .
C40 C 0.5890(3) 0.3239(2) 0.7588(2) 0.0236(7) Uani 1 1 d . . . . .
C41 C 0.5986(3) 0.3498(3) 0.8490(3) 0.0329(9) Uani 1 1 d . . . . .
H41 H 0.551121 0.314922 0.872466 0.039 Uiso 1 1 calc R U . . .
C42 C 0.6781(3) 0.4269(4) 0.9045(3) 0.0458(12) Uani 1 1 d . . . . .
H42 H 0.686236 0.443080 0.966317 0.055 Uiso 1 1 calc R U . . .
C43 C 0.7449(3) 0.4799(3) 0.8699(4) 0.0493(13) Uani 1 1 d . . . . .
H43 H 0.797958 0.533507 0.907793 0.059 Uiso 1 1 calc R U . . .
C44 C 0.7353(3) 0.4555(3) 0.7799(4) 0.0438(12) Uani 1 1 d . . . . .
H44 H 0.781366 0.492439 0.756331 0.053 Uiso 1 1 calc R U . . .
C45 C 0.6581(3) 0.3770(3) 0.7246(3) 0.0313(8) Uani 1 1 d . . . . .
H45 H 0.652115 0.359366 0.663348 0.038 Uiso 1 1 calc R U . . .
C46 C 0.1053(2) 0.2915(3) 0.8634(2) 0.0205(7) Uani 1 1 d . . . . .
C47 C 0.0349(3) 0.2463(3) 0.9017(3) 0.0309(8) Uani 1 1 d . . . . .
H47 H 0.032427 0.181460 0.911051 0.037 Uiso 1 1 calc R U . . .
C48 C -0.0308(3) 0.2973(4) 0.9256(3) 0.0415(10) Uani 1 1 d . . . . .
H48 H -0.077950 0.267691 0.952101 0.050 Uiso 1 1 calc R U . . .
C49 C -0.0278(3) 0.3906(4) 0.9111(3) 0.0444(11) Uani 1 1 d . . . . .
H49 H -0.073176 0.424919 0.927594 0.053 Uiso 1 1 calc R U . . .
C50 C 0.0403(3) 0.4352(3) 0.8727(3) 0.0409(10) Uani 1 1 d . . . . .
H50 H 0.041651 0.499842 0.863110 0.049 Uiso 1 1 calc R U . . .
C51 C 0.1071(3) 0.3852(3) 0.8482(2) 0.0275(7) Uani 1 1 d . . . . .
H51 H 0.153536 0.415219 0.821263 0.033 Uiso 1 1 calc R U . . .
C52 C 0.2811(2) 0.2164(2) 0.9423(2) 0.0167(6) Uani 1 1 d . . . . .
C53 C 0.2617(3) 0.2352(2) 1.0229(2) 0.0207(6) Uani 1 1 d . . . . .
H53 H 0.203228 0.257327 1.025456 0.025 Uiso 1 1 calc R U . . .
C54 C 0.3287(3) 0.2214(2) 1.0996(2) 0.0236(7) Uani 1 1 d . . . . .
H54 H 0.315361 0.233474 1.154658 0.028 Uiso 1 1 calc R U . . .
C55 C 0.4143(3) 0.1905(2) 1.0969(2) 0.0249(7) Uani 1 1 d . . . . .
H55 H 0.459730 0.181778 1.149961 0.030 Uiso 1 1 calc R U . . .
C56 C 0.4342(3) 0.1720(3) 1.0163(2) 0.0286(8) Uani 1 1 d . . . . .
H56 H 0.493118 0.150485 1.014288 0.034 Uiso 1 1 calc R U . . .
C57 C 0.3675(3) 0.1851(3) 0.9389(2) 0.0245(7) Uani 1 1 d . . . . .
H57 H 0.380793 0.172788 0.883825 0.029 Uiso 1 1 calc R U . . .
C58 C 0.1189(3) 0.1030(2) 0.7808(2) 0.0200(6) Uani 1 1 d . . . . .
C59 C 0.0306(3) 0.0950(3) 0.7099(2) 0.0299(8) Uani 1 1 d . . . . .
H59 H 0.011722 0.152354 0.694524 0.036 Uiso 1 1 calc R U . . .
C60 C -0.0288(3) 0.0035(3) 0.6624(3) 0.0407(10) Uani 1 1 d . . . . .
H60 H -0.087825 -0.002187 0.613586 0.049 Uiso 1 1 calc R U . . .
C61 C -0.0019(4) -0.0797(3) 0.6864(3) 0.0421(11) Uani 1 1 d . . . . .
H61 H -0.042816 -0.142568 0.653897 0.051 Uiso 1 1 calc R U . . .
C62 C 0.0839(4) -0.0723(3) 0.7572(3) 0.0390(10) Uani 1 1 d . . . . .
H62 H 0.101248 -0.130075 0.773189 0.047 Uiso 1 1 calc R U . . .
C63 C 0.1452(3) 0.0192(3) 0.8053(3) 0.0282(8) Uani 1 1 d . . . . .
H63 H 0.204067 0.024356 0.853995 0.034 Uiso 1 1 calc R U . . .
P4 P 0.23411(9) 0.77768(11) 0.93800(8) 0.0504(3) Uani 1 1 d . . . . .
F1 F 0.3337(3) 0.7384(4) 0.9519(3) 0.0936(14) Uani 1 1 d . . . . .
F2 F 0.2964(3) 0.8916(3) 0.9612(3) 0.0971(14) Uani 1 1 d . . . . .
F3 F 0.2223(3) 0.7809(3) 0.8384(3) 0.0815(11) Uani 1 1 d . . . . .
F4 F 0.1310(3) 0.8148(3) 0.9275(2) 0.0732(10) Uani 1 1 d . . . . .
F5 F 0.2475(2) 0.7874(3) 1.0381(2) 0.0726(10) Uani 1 1 d . . . . .
F6 F 0.1663(3) 0.6722(3) 0.9120(3) 0.0772(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl2 2.4140(7) . ?
Os1 S1 2.5588(8) . ?
Os1 P1 2.4100(8) . ?
Os1 P2 2.4206(8) . ?
Os1 N1 2.103(2) . ?
Os1 C1 2.027(3) . ?
Os1 C9 2.055(3) . ?
Cl1 C8 1.729(3) . ?
S1 C9 1.624(3) . ?
P1 C10 1.824(3) . ?
P1 C16 1.835(3) . ?
P1 C22 1.846(3) . ?
P2 C28 1.843(3) . ?
P2 C34 1.836(3) . ?
P2 C40 1.829(3) . ?
P3 C2 1.776(3) . ?
P3 C46 1.801(3) . ?
P3 C52 1.802(3) . ?
P3 C58 1.793(3) . ?
N1 C3 1.367(4) . ?
N1 C7 1.365(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.363(4) . ?
C2 C3 1.456(4) . ?
C3 C4 1.390(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.392(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.375(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.396(4) . ?
C7 C8 1.425(4) . ?
C8 C9 1.335(5) . ?
C10 C11 1.401(5) . ?
C10 C15 1.394(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.391(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.386(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(5) . ?
C16 C21 1.396(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.391(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.372(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.391(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.390(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.403(5) . ?
C22 C27 1.384(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.377(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.398(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(5) . ?
C28 C33 1.401(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.396(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.377(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.388(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.392(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.394(5) . ?
C34 C39 1.399(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.386(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.387(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.395(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.397(5) . ?
C40 C45 1.397(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.392(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.380(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.391(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.388(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.409(5) . ?
C46 C51 1.383(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.386(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.373(7) . ?
C49 H49 0.9500 . ?
C49 C50 1.382(7) . ?
C50 H50 0.9500 . ?
C50 C51 1.395(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.389(4) . ?
C52 C57 1.394(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.388(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.377(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.393(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.391(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.404(5) . ?
C58 C63 1.390(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.383(5) . ?
C60 H60 0.9500 . ?
C60 C61 1.383(7) . ?
C61 H61 0.9500 . ?
C61 C62 1.383(7) . ?
C62 H62 0.9500 . ?
C62 C63 1.393(5) . ?
C63 H63 0.9500 . ?
P4 F1 1.586(4) . ?
P4 F2 1.621(5) . ?
P4 F3 1.559(4) . ?
P4 F4 1.620(4) . ?
P4 F5 1.538(4) . ?
P4 F6 1.543(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
Cl2 Os1 S1 90.36(3) . . ?
Cl2 Os1 P2 91.13(3) . . ?
P1 Os1 Cl2 88.08(3) . . ?
P1 Os1 S1 88.03(3) . . ?
P1 Os1 P2 174.54(3) . . ?
P2 Os1 S1 86.58(3) . . ?
N1 Os1 Cl2 158.13(7) . . ?
N1 Os1 S1 111.51(7) . . ?
N1 Os1 P1 92.91(7) . . ?
N1 Os1 P2 89.83(7) . . ?
C1 Os1 Cl2 83.94(9) . . ?
C1 Os1 S1 174.27(9) . . ?
C1 Os1 P1 91.15(8) . . ?
C1 Os1 P2 94.13(8) . . ?
C1 Os1 N1 74.20(11) . . ?
C1 Os1 C9 146.33(13) . . ?
C9 Os1 Cl2 129.68(9) . . ?
C9 Os1 S1 39.35(9) . . ?
C9 Os1 P1 88.73(9) . . ?
C9 Os1 P2 87.62(9) . . ?
C9 Os1 N1 72.18(11) . . ?
C9 S1 Os1 53.34(11) . . ?
C10 P1 Os1 110.78(10) . . ?
C10 P1 C16 106.97(16) . . ?
C10 P1 C22 102.93(14) . . ?
C16 P1 Os1 116.39(10) . . ?
C16 P1 C22 98.32(15) . . ?
C22 P1 Os1 119.75(12) . . ?
C28 P2 Os1 119.32(12) . . ?
C34 P2 Os1 117.00(11) . . ?
C34 P2 C28 99.82(15) . . ?
C40 P2 Os1 110.84(11) . . ?
C40 P2 C28 101.79(16) . . ?
C40 P2 C34 106.20(16) . . ?
C2 P3 C46 113.03(15) . . ?
C2 P3 C52 108.94(14) . . ?
C2 P3 C58 110.32(15) . . ?
C46 P3 C52 108.74(15) . . ?
C58 P3 C46 106.59(16) . . ?
C58 P3 C52 109.14(15) . . ?
C3 N1 Os1 119.9(2) . . ?
C7 N1 Os1 120.7(2) . . ?
C7 N1 C3 119.4(3) . . ?
Os1 C1 H1 119.4 . . ?
C2 C1 Os1 121.2(2) . . ?
C2 C1 H1 119.4 . . ?
C1 C2 P3 123.7(2) . . ?
C1 C2 C3 113.8(3) . . ?
C3 C2 P3 122.4(2) . . ?
N1 C3 C2 110.8(3) . . ?
N1 C3 C4 120.7(3) . . ?
C4 C3 C2 128.5(3) . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.6(3) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 120.5 . . ?
C5 C6 C7 119.0(3) . . ?
C7 C6 H6 120.5 . . ?
N1 C7 C6 121.4(3) . . ?
N1 C7 C8 111.3(3) . . ?
C6 C7 C8 127.3(3) . . ?
C7 C8 Cl1 121.4(2) . . ?
C9 C8 Cl1 125.3(3) . . ?
C9 C8 C7 113.3(3) . . ?
S1 C9 Os1 87.31(15) . . ?
C8 C9 Os1 122.6(2) . . ?
C8 C9 S1 150.1(3) . . ?
C11 C10 P1 119.1(3) . . ?
C15 C10 P1 121.4(2) . . ?
C15 C10 C11 119.1(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.9(3) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.3(3) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.1 . . ?
C10 C15 H15 119.6 . . ?
C14 C15 C10 120.8(3) . . ?
C14 C15 H15 119.6 . . ?
C17 C16 P1 124.6(3) . . ?
C17 C16 C21 119.2(3) . . ?
C21 C16 P1 115.8(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(4) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.1(4) . . ?
C21 C20 H20 119.9 . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 120.1(4) . . ?
C20 C21 H21 120.0 . . ?
C23 C22 P1 117.4(3) . . ?
C27 C22 P1 123.8(3) . . ?
C27 C22 C23 118.9(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(4) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0(4) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.7(3) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.6(4) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 C26 120.2(3) . . ?
C22 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 P2 123.4(3) . . ?
C29 C28 C33 119.3(3) . . ?
C33 C28 P2 117.1(3) . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.8(4) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 119.7 . . ?
C31 C30 C29 120.6(4) . . ?
C31 C30 H30 119.7 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.1(3) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.9(4) . . ?
C33 C32 H32 120.1 . . ?
C28 C33 H33 119.9 . . ?
C32 C33 C28 120.3(4) . . ?
C32 C33 H33 119.9 . . ?
C35 C34 P2 123.3(3) . . ?
C35 C34 C39 119.0(3) . . ?
C39 C34 P2 117.4(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(4) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.6(4) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.7(3) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.1(4) . . ?
C39 C38 H38 120.0 . . ?
C34 C39 H39 119.8 . . ?
C38 C39 C34 120.4(3) . . ?
C38 C39 H39 119.8 . . ?
C41 C40 P2 121.7(3) . . ?
C41 C40 C45 119.6(3) . . ?
C45 C40 P2 118.4(3) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(4) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 119.9 . . ?
C43 C42 C41 120.2(4) . . ?
C43 C42 H42 119.9 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.5(4) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.7(5) . . ?
C45 C44 H44 120.1 . . ?
C40 C45 H45 119.9 . . ?
C44 C45 C40 120.2(4) . . ?
C44 C45 H45 119.9 . . ?
C47 C46 P3 117.3(3) . . ?
C51 C46 P3 122.5(3) . . ?
C51 C46 C47 120.1(3) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 C46 119.3(4) . . ?
C48 C47 H47 120.3 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.2(4) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 119.5 . . ?
C48 C49 C50 120.9(4) . . ?
C50 C49 H49 119.5 . . ?
C49 C50 H50 120.1 . . ?
C49 C50 C51 119.8(4) . . ?
C51 C50 H50 120.1 . . ?
C46 C51 C50 119.7(4) . . ?
C46 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C53 C52 P3 121.7(3) . . ?
C53 C52 C57 120.2(3) . . ?
C57 C52 P3 117.9(2) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 C52 119.3(3) . . ?
C54 C53 H53 120.4 . . ?
C53 C54 H54 119.5 . . ?
C55 C54 C53 120.9(3) . . ?
C55 C54 H54 119.5 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0(3) . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.2 . . ?
C57 C56 C55 119.7(3) . . ?
C57 C56 H56 120.2 . . ?
C52 C57 H57 120.1 . . ?
C56 C57 C52 119.9(3) . . ?
C56 C57 H57 120.1 . . ?
C59 C58 P3 117.6(3) . . ?
C63 C58 P3 122.2(3) . . ?
C63 C58 C59 120.2(3) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 C58 120.0(4) . . ?
C60 C59 H59 120.0 . . ?
C59 C60 H60 120.2 . . ?
C61 C60 C59 119.6(4) . . ?
C61 C60 H60 120.2 . . ?
C60 C61 H61 119.7 . . ?
C60 C61 C62 120.7(4) . . ?
C62 C61 H61 119.7 . . ?
C61 C62 H62 119.8 . . ?
C61 C62 C63 120.5(4) . . ?
C63 C62 H62 119.8 . . ?
C58 C63 C62 119.0(4) . . ?
C58 C63 H63 120.5 . . ?
C62 C63 H63 120.5 . . ?
F1 P4 F2 93.4(3) . . ?
F1 P4 F4 177.1(2) . . ?
F3 P4 F1 93.1(2) . . ?
F3 P4 F2 86.5(2) . . ?
F3 P4 F4 89.4(2) . . ?
F4 P4 F2 88.3(3) . . ?
F5 P4 F1 89.9(2) . . ?
F5 P4 F2 87.4(2) . . ?
F5 P4 F3 173.4(3) . . ?
F5 P4 F4 87.84(19) . . ?
F5 P4 F6 94.2(2) . . ?
F6 P4 F1 91.5(3) . . ?
F6 P4 F2 174.9(3) . . ?
F6 P4 F3 91.6(2) . . ?
F6 P4 F4 87.0(2) . . ?

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 S1 C9 C8 178.4(6) . . . . ?
Os1 P1 C10 C11 98.7(3) . . . . ?
Os1 P1 C10 C15 -73.0(3) . . . . ?
Os1 P1 C16 C17 123.1(3) . . . . ?
Os1 P1 C16 C21 -65.1(3) . . . . ?
Os1 P1 C22 C23 165.9(2) . . . . ?
Os1 P1 C22 C27 -13.5(3) . . . . ?
Os1 P2 C28 C29 -13.8(3) . . . . ?
Os1 P2 C28 C33 169.8(2) . . . . ?
Os1 P2 C34 C35 -146.3(3) . . . . ?
Os1 P2 C34 C39 40.1(3) . . . . ?
Os1 P2 C40 C41 86.8(3) . . . . ?
Os1 P2 C40 C45 -87.2(3) . . . . ?
Os1 N1 C3 C2 -2.3(3) . . . . ?
Os1 N1 C3 C4 179.3(2) . . . . ?
Os1 N1 C7 C6 179.7(2) . . . . ?
Os1 N1 C7 C8 0.6(3) . . . . ?
Os1 C1 C2 P3 -177.46(15) . . . . ?
Os1 C1 C2 C3 0.3(4) . . . . ?
Cl1 C8 C9 Os1 179.82(17) . . . . ?
Cl1 C8 C9 S1 1.7(7) . . . . ?
P1 C10 C11 C12 -173.3(3) . . . . ?
P1 C10 C15 C14 174.4(3) . . . . ?
P1 C16 C17 C18 172.2(3) . . . . ?
P1 C16 C21 C20 -170.7(3) . . . . ?
P1 C22 C23 C24 -179.8(3) . . . . ?
P1 C22 C27 C26 -179.7(3) . . . . ?
P2 C28 C29 C30 -177.2(3) . . . . ?
P2 C28 C33 C32 176.8(3) . . . . ?
P2 C34 C35 C36 -174.8(3) . . . . ?
P2 C34 C39 C38 174.5(3) . . . . ?
P2 C40 C41 C42 -175.3(3) . . . . ?
P2 C40 C45 C44 173.7(3) . . . . ?
P3 C2 C3 N1 179.0(2) . . . . ?
P3 C2 C3 C4 -2.7(5) . . . . ?
P3 C46 C47 C48 177.0(3) . . . . ?
P3 C46 C51 C50 -177.0(3) . . . . ?
P3 C52 C53 C54 175.3(3) . . . . ?
P3 C52 C57 C56 -175.8(3) . . . . ?
P3 C58 C59 C60 179.5(3) . . . . ?
P3 C58 C63 C62 179.9(3) . . . . ?
N1 C3 C4 C5 1.4(5) . . . . ?
N1 C7 C8 Cl1 -179.6(2) . . . . ?
N1 C7 C8 C9 -1.3(4) . . . . ?
C1 C2 C3 N1 1.2(4) . . . . ?
C1 C2 C3 C4 179.5(3) . . . . ?
C2 P3 C46 C47 169.5(3) . . . . ?
C2 P3 C46 C51 -12.2(3) . . . . ?
C2 P3 C52 C53 140.4(3) . . . . ?
C2 P3 C52 C57 -43.4(3) . . . . ?
C2 P3 C58 C59 -75.1(3) . . . . ?
C2 P3 C58 C63 106.3(3) . . . . ?
C2 C3 C4 C5 -176.7(3) . . . . ?
C3 N1 C7 C6 -0.2(4) . . . . ?
C3 N1 C7 C8 -179.3(3) . . . . ?
C3 C4 C5 C6 -1.0(5) . . . . ?
C4 C5 C6 C7 0.0(5) . . . . ?
C5 C6 C7 N1 0.6(5) . . . . ?
C5 C6 C7 C8 179.6(3) . . . . ?
C6 C7 C8 Cl1 1.4(5) . . . . ?
C6 C7 C8 C9 179.7(3) . . . . ?
C7 N1 C3 C2 177.6(3) . . . . ?
C7 N1 C3 C4 -0.8(4) . . . . ?
C7 C8 C9 Os1 1.6(4) . . . . ?
C7 C8 C9 S1 -176.5(4) . . . . ?
C10 P1 C16 C17 -1.3(3) . . . . ?
C10 P1 C16 C21 170.5(2) . . . . ?
C10 P1 C22 C23 -70.7(3) . . . . ?
C10 P1 C22 C27 109.9(3) . . . . ?
C10 C11 C12 C13 -0.6(5) . . . . ?
C11 C10 C15 C14 2.6(5) . . . . ?
C11 C12 C13 C14 1.4(6) . . . . ?
C12 C13 C14 C15 -0.1(6) . . . . ?
C13 C14 C15 C10 -1.9(5) . . . . ?
C15 C10 C11 C12 -1.4(5) . . . . ?
C16 P1 C10 C11 -133.5(3) . . . . ?
C16 P1 C10 C15 54.8(3) . . . . ?
C16 P1 C22 C23 38.9(3) . . . . ?
C16 P1 C22 C27 -140.4(3) . . . . ?
C16 C17 C18 C19 -2.1(6) . . . . ?
C17 C16 C21 C20 1.6(5) . . . . ?
C17 C18 C19 C20 1.3(7) . . . . ?
C18 C19 C20 C21 0.9(7) . . . . ?
C19 C20 C21 C16 -2.4(6) . . . . ?
C21 C16 C17 C18 0.6(5) . . . . ?
C22 P1 C10 C11 -30.5(3) . . . . ?
C22 P1 C10 C15 157.8(3) . . . . ?
C22 P1 C16 C17 -107.6(3) . . . . ?
C22 P1 C16 C21 64.2(3) . . . . ?
C22 C23 C24 C25 0.0(6) . . . . ?
C23 C22 C27 C26 0.9(5) . . . . ?
C23 C24 C25 C26 -0.1(6) . . . . ?
C24 C25 C26 C27 0.6(5) . . . . ?
C25 C26 C27 C22 -1.0(5) . . . . ?
C27 C22 C23 C24 -0.4(5) . . . . ?
C28 P2 C34 C35 83.4(3) . . . . ?
C28 P2 C34 C39 -90.2(3) . . . . ?
C28 P2 C40 C41 -145.3(3) . . . . ?
C28 P2 C40 C45 40.7(3) . . . . ?
C28 C29 C30 C31 0.6(5) . . . . ?
C29 C28 C33 C32 0.3(5) . . . . ?
C29 C30 C31 C32 0.2(5) . . . . ?
C30 C31 C32 C33 -0.8(6) . . . . ?
C31 C32 C33 C28 0.6(6) . . . . ?
C33 C28 C29 C30 -0.9(5) . . . . ?
C34 P2 C28 C29 114.9(3) . . . . ?
C34 P2 C28 C33 -61.5(3) . . . . ?
C34 P2 C40 C41 -41.3(3) . . . . ?
C34 P2 C40 C45 144.7(3) . . . . ?
C34 C35 C36 C37 0.8(6) . . . . ?
C35 C34 C39 C38 0.6(5) . . . . ?
C35 C36 C37 C38 0.5(6) . . . . ?
C36 C37 C38 C39 -1.2(6) . . . . ?
C37 C38 C39 C34 0.6(5) . . . . ?
C39 C34 C35 C36 -1.3(5) . . . . ?
C40 P2 C28 C29 -136.1(3) . . . . ?
C40 P2 C28 C33 47.5(3) . . . . ?
C40 P2 C34 C35 -22.0(3) . . . . ?
C40 P2 C34 C39 164.4(3) . . . . ?
C40 C41 C42 C43 2.4(6) . . . . ?
C41 C40 C45 C44 -0.5(5) . . . . ?
C41 C42 C43 C44 -1.6(6) . . . . ?
C42 C43 C44 C45 -0.3(6) . . . . ?
C43 C44 C45 C40 1.3(6) . . . . ?
C45 C40 C41 C42 -1.3(5) . . . . ?
C46 P3 C2 C1 -115.9(3) . . . . ?
C46 P3 C2 C3 66.5(3) . . . . ?
C46 P3 C52 C53 16.8(3) . . . . ?
C46 P3 C52 C57 -167.0(3) . . . . ?
C46 P3 C58 C59 48.0(3) . . . . ?
C46 P3 C58 C63 -130.6(3) . . . . ?
C46 C47 C48 C49 0.7(6) . . . . ?
C47 C46 C51 C50 1.4(6) . . . . ?
C47 C48 C49 C50 -0.1(7) . . . . ?
C48 C49 C50 C51 0.1(7) . . . . ?
C49 C50 C51 C46 -0.7(6) . . . . ?
C51 C46 C47 C48 -1.4(6) . . . . ?
C52 P3 C2 C1 123.1(3) . . . . ?
C52 P3 C2 C3 -54.5(3) . . . . ?
C52 P3 C46 C47 -69.4(3) . . . . ?
C52 P3 C46 C51 108.9(3) . . . . ?
C52 P3 C58 C59 165.3(3) . . . . ?
C52 P3 C58 C63 -13.3(3) . . . . ?
C52 C53 C54 C55 0.7(5) . . . . ?
C53 C52 C57 C56 0.5(5) . . . . ?
C53 C54 C55 C56 -0.4(5) . . . . ?
C54 C55 C56 C57 0.2(6) . . . . ?
C55 C56 C57 C52 -0.2(6) . . . . ?
C57 C52 C53 C54 -0.7(5) . . . . ?
C58 P3 C2 C1 3.3(3) . . . . ?
C58 P3 C2 C3 -174.3(2) . . . . ?
C58 P3 C46 C47 48.1(3) . . . . ?
C58 P3 C46 C51 -133.5(3) . . . . ?
C58 P3 C52 C53 -99.1(3) . . . . ?
C58 P3 C52 C57 77.1(3) . . . . ?
C58 C59 C60 C61 1.3(6) . . . . ?
C59 C58 C63 C62 1.3(5) . . . . ?
C59 C60 C61 C62 -0.2(7) . . . . ?
C60 C61 C62 C63 -0.4(7) . . . . ?
C61 C62 C63 C58 -0.2(6) . . . . ?
C63 C58 C59 C60 -1.9(6) . . . . ?

_smtbx_masks_special_details     ?
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 0.000 305.5 104.8 ?
2 0.139 0.000 0.587 7.3 0.0 ?
3 0.146 0.774 0.653 9.2 0.0 ?
4 0.854 0.226 0.347 9.2 0.0 ?
5 0.861 0.000 0.412 7.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5b
_database_code_depnum_ccdc_archive 'CCDC 2314888'
loop_
_audit_author_name
_audit_author_address
'Complex Fiveb'
;SUSTech
China
;
_audit_update_record             
;
2023-12-17 deposited with the CCDC.	2024-04-30 downloaded from the CCDC.
;
_audit_creation_date             2023-04-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C71 H60 Cl N Os P4, 2(C24 H20 B)'
_chemical_formula_sum            'C119 H100 B2 Cl N Os P4'
_chemical_formula_weight         1915.14
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.9627(8)
_cell_length_b                   19.3429(9)
_cell_length_c                   22.1477(10)
_cell_angle_alpha                110.864(2)
_cell_angle_beta                 94.765(2)
_cell_angle_gamma                114.869(2)
_cell_volume                     5923.8(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9757
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      72.03
_cell_measurement_theta_min      4.18
_shelx_estimated_absorpt_T_max   0.749
_shelx_estimated_absorpt_T_min   0.749
_exptl_absorpt_coefficient_mu    3.065
_exptl_absorpt_correction_T_max  0.7535
_exptl_absorpt_correction_T_min  0.5055
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1545 before and 0.0945 after correction.
The Ratio of minimum to maximum transmission is 0.6709.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic orangish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0600
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            113199
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.504
_diffrn_reflns_theta_min         2.793
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21589
_reflns_number_total             23065
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.151
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_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     1143
_refine_ls_number_reflns         23065
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0553
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1001P)²+21.0827P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1635
_refine_ls_wR_factor_ref         0.1669
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C114 \\sim C115 \\sim C116 \\sim C117 \\sim C118 \\sim C119: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002 within 2A
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), 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),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63), C65(H65), C66(H66), C67(H67), C68(H68),
 C69(H69), C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C79(H79), C80(H80),
  C81(H81), C82(H82), C83(H83), C85(H85), C86(H86), C87(H87), C88(H88),
 C89(H89), C91(H91), C92(H92), C93(H93), C94(H94), C95(H95), C97(H97), C98(H98),
  C99(H99), C100(H100), C101(H101), C103(H103), C104(H104), C105(H105),
 C106(H106), C107(H107), C109(H109), C110(H110), C111(H111), C112(H112),
 C113(H113), C115(H115), C116(H116), C117(H117), C118(H118), C119(H119)
3.b Fitted hexagon refined as free rotating group:
 C114(C115,C116,C117,C118,C119)
3.c Idealised Me refined as rotating group:
 C70(H70A,H70B,H70C), C71(H71A,H71B,H71C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.51145(2) 0.66453(2) 0.67349(2) 0.02077(6) Uani 1 1 d . . . . .
Cl1 Cl 0.51542(6) 0.62877(6) 0.56039(5) 0.02497(19) Uani 1 1 d . . . . .
P1 P 0.67287(7) 0.72854(6) 0.70445(5) 0.0232(2) Uani 1 1 d . . . . .
P2 P 0.35102(7) 0.60219(6) 0.63399(5) 0.0229(2) Uani 1 1 d . . . . .
P3 P 0.48455(7) 0.45849(6) 0.74890(5) 0.0244(2) Uani 1 1 d . . . . .
P4 P 0.53477(7) 0.91356(7) 0.81567(6) 0.0275(2) Uani 1 1 d . . . . .
N1 N 0.5031(2) 0.6812(2) 0.77064(17) 0.0212(7) Uani 1 1 d . . . . .
C1 C 0.5012(3) 0.5574(3) 0.6796(2) 0.0232(8) Uani 1 1 d . . . . .
H1 H 0.501055 0.513916 0.641929 0.028 Uiso 1 1 calc R U . . .
C2 C 0.4946(3) 0.5490(3) 0.7380(2) 0.0236(8) Uani 1 1 d . . . . .
C3 C 0.4933(3) 0.6199(3) 0.7909(2) 0.0244(8) Uani 1 1 d . . . . .
C4 C 0.4861(3) 0.6313(3) 0.8559(2) 0.0297(9) Uani 1 1 d . . . . .
H4 H 0.479662 0.588916 0.870267 0.036 Uiso 1 1 calc R U . . .
C5 C 0.4884(3) 0.7047(3) 0.8988(2) 0.0307(9) Uani 1 1 d . . . . .
H5 H 0.482845 0.712621 0.942803 0.037 Uiso 1 1 calc R U . . .
C6 C 0.4988(3) 0.7670(3) 0.8780(2) 0.0296(9) Uani 1 1 d . . . . .
H6 H 0.500663 0.817610 0.907590 0.035 Uiso 1 1 calc R U . . .
C7 C 0.5062(3) 0.7548(3) 0.8142(2) 0.0243(8) Uani 1 1 d . . . . .
C8 C 0.5181(3) 0.8097(3) 0.7803(2) 0.0269(8) Uani 1 1 d . . . . .
C9 C 0.5202(3) 0.7713(2) 0.7164(2) 0.0239(8) Uani 1 1 d . . . . .
C10 C 0.7298(3) 0.7898(3) 0.6602(2) 0.0284(9) Uani 1 1 d . . . . .
C11 C 0.8169(3) 0.8019(3) 0.6549(2) 0.0360(10) Uani 1 1 d . . . . .
H11 H 0.842062 0.772760 0.668965 0.043 Uiso 1 1 calc R U . . .
C12 C 0.8650(4) 0.8576(3) 0.6287(3) 0.0444(12) Uani 1 1 d . . . . .
H12 H 0.923237 0.866101 0.624557 0.053 Uiso 1 1 calc R U . . .
C13 C 0.8293(4) 0.9001(3) 0.6090(3) 0.0431(12) Uani 1 1 d . . . . .
H13 H 0.863450 0.938422 0.591985 0.052 Uiso 1 1 calc R U . . .
C14 C 0.7433(4) 0.8882(3) 0.6136(3) 0.0422(12) Uani 1 1 d . . . . .
H14 H 0.718948 0.917939 0.599617 0.051 Uiso 1 1 calc R U . . .
C15 C 0.6937(3) 0.8323(3) 0.6387(2) 0.0343(10) Uani 1 1 d . . . . .
H15 H 0.634703 0.823119 0.641292 0.041 Uiso 1 1 calc R U . . .
C16 C 0.7299(3) 0.8060(3) 0.7926(2) 0.0255(8) Uani 1 1 d . . . . .
C17 C 0.7954(3) 0.8878(3) 0.8095(2) 0.0299(9) Uani 1 1 d . . . . .
H17 H 0.811020 0.905516 0.775363 0.036 Uiso 1 1 calc R U . . .
C18 C 0.8393(3) 0.9451(3) 0.8780(2) 0.0358(10) Uani 1 1 d . . . . .
H18 H 0.884941 1.001152 0.889699 0.043 Uiso 1 1 calc R U . . .
C19 C 0.8162(3) 0.9202(3) 0.9278(2) 0.0325(10) Uani 1 1 d . . . . .
H19 H 0.845401 0.959220 0.973675 0.039 Uiso 1 1 calc R U . . .
C20 C 0.7511(3) 0.8394(3) 0.9113(2) 0.0310(9) Uani 1 1 d . . . . .
H20 H 0.735076 0.822675 0.945892 0.037 Uiso 1 1 calc R U . . .
C21 C 0.7081(3) 0.7813(3) 0.8442(2) 0.0288(9) Uani 1 1 d . . . . .
H21 H 0.664027 0.724907 0.833291 0.035 Uiso 1 1 calc R U . . .
C22 C 0.7153(3) 0.6529(3) 0.6893(2) 0.0284(9) Uani 1 1 d . . . . .
C23 C 0.6809(3) 0.5856(3) 0.6257(2) 0.0305(9) Uani 1 1 d . . . . .
H23 H 0.636012 0.579770 0.592818 0.037 Uiso 1 1 calc R U . . .
C24 C 0.7115(4) 0.5267(3) 0.6098(3) 0.0380(11) Uani 1 1 d . . . . .
H24 H 0.688820 0.481882 0.565915 0.046 Uiso 1 1 calc R U . . .
C25 C 0.7749(4) 0.5339(4) 0.6582(3) 0.0490(14) Uani 1 1 d . . . . .
H25 H 0.795231 0.493198 0.648034 0.059 Uiso 1 1 calc R U . . .
C26 C 0.8094(5) 0.6016(4) 0.7225(3) 0.0572(16) Uani 1 1 d . . . . .
H26 H 0.852818 0.606331 0.755859 0.069 Uiso 1 1 calc R U . . .
C27 C 0.7809(4) 0.6609(4) 0.7375(3) 0.0443(12) Uani 1 1 d . . . . .
H27 H 0.805766 0.707287 0.780728 0.053 Uiso 1 1 calc R U . . .
C28 C 0.2891(3) 0.4870(3) 0.5948(2) 0.0264(8) Uani 1 1 d . . . . .
C29 C 0.3235(3) 0.4433(3) 0.5495(2) 0.0273(9) Uani 1 1 d . . . . .
H29 H 0.377901 0.473843 0.540158 0.033 Uiso 1 1 calc R U . . .
C30 C 0.2787(3) 0.3559(3) 0.5184(2) 0.0319(9) Uani 1 1 d . . . . .
H30 H 0.301613 0.326825 0.486918 0.038 Uiso 1 1 calc R U . . .
C31 C 0.2004(3) 0.3105(3) 0.5329(3) 0.0382(11) Uani 1 1 d . . . . .
H31 H 0.170761 0.250434 0.512273 0.046 Uiso 1 1 calc R U . . .
C32 C 0.1654(3) 0.3530(3) 0.5777(3) 0.0402(11) Uani 1 1 d . . . . .
H32 H 0.112020 0.322068 0.587917 0.048 Uiso 1 1 calc R U . . .
C33 C 0.2084(3) 0.4403(3) 0.6073(2) 0.0338(10) Uani 1 1 d . . . . .
H33 H 0.183082 0.469099 0.636438 0.041 Uiso 1 1 calc R U . . .
C34 C 0.2998(3) 0.6343(3) 0.7005(2) 0.0287(9) Uani 1 1 d . . . . .
C35 C 0.2688(3) 0.6921(3) 0.7052(3) 0.0358(10) Uani 1 1 d . . . . .
H35 H 0.271640 0.712929 0.672112 0.043 Uiso 1 1 calc R U . . .
C36 C 0.2338(3) 0.7192(3) 0.7581(3) 0.0434(12) Uani 1 1 d . . . . .
H36 H 0.211845 0.757619 0.760498 0.052 Uiso 1 1 calc R U . . .
C37 C 0.2309(4) 0.6907(4) 0.8067(3) 0.0479(14) Uani 1 1 d . . . . .
H37 H 0.207782 0.710279 0.843028 0.057 Uiso 1 1 calc R U . . .
C38 C 0.2614(3) 0.6332(4) 0.8035(3) 0.0424(12) Uani 1 1 d . . . . .
H38 H 0.259017 0.613088 0.837083 0.051 Uiso 1 1 calc R U . . .
C39 C 0.2955(3) 0.6059(3) 0.7501(2) 0.0345(10) Uani 1 1 d . . . . .
H39 H 0.316440 0.566707 0.747574 0.041 Uiso 1 1 calc R U . . .
C40 C 0.3128(3) 0.6312(3) 0.5720(2) 0.0305(9) Uani 1 1 d . . . . .
C41 C 0.3675(3) 0.7074(3) 0.5696(2) 0.0344(10) Uani 1 1 d . . . . .
H41 H 0.427572 0.743123 0.597943 0.041 Uiso 1 1 calc R U . . .
C42 C 0.3333(4) 0.7307(4) 0.5253(3) 0.0437(12) Uani 1 1 d . . . . .
H42 H 0.370592 0.782389 0.523477 0.052 Uiso 1 1 calc R U . . .
C43 C 0.2464(4) 0.6801(4) 0.4843(3) 0.0500(14) Uani 1 1 d . . . . .
H43 H 0.223691 0.696490 0.454301 0.060 Uiso 1 1 calc R U . . .
C44 C 0.1925(4) 0.6050(4) 0.4873(3) 0.0515(15) Uani 1 1 d . . . . .
H44 H 0.132391 0.569853 0.458891 0.062 Uiso 1 1 calc R U . . .
C45 C 0.2238(4) 0.5802(3) 0.5303(3) 0.0407(11) Uani 1 1 d . . . . .
H45 H 0.185523 0.528588 0.531911 0.049 Uiso 1 1 calc R U . . .
C46 C 0.3846(3) 0.4189(3) 0.7759(2) 0.0276(9) Uani 1 1 d . . . . .
C47 C 0.3819(3) 0.3971(3) 0.8297(2) 0.0344(10) Uani 1 1 d . . . . .
H47 H 0.434316 0.401922 0.853842 0.041 Uiso 1 1 calc R U . . .
C48 C 0.3019(4) 0.3685(4) 0.8474(3) 0.0471(13) Uani 1 1 d . . . . .
H48 H 0.299940 0.354841 0.884558 0.057 Uiso 1 1 calc R U . . .
C49 C 0.2252(4) 0.3596(4) 0.8117(3) 0.0528(14) Uani 1 1 d . . . . .
H49 H 0.170378 0.338542 0.823710 0.063 Uiso 1 1 calc R U . . .
C50 C 0.2274(4) 0.3816(4) 0.7574(3) 0.0488(13) Uani 1 1 d . . . . .
H50 H 0.174624 0.376165 0.733143 0.059 Uiso 1 1 calc R U . . .
C51 C 0.3073(3) 0.4110(3) 0.7401(3) 0.0370(10) Uani 1 1 d . . . . .
H51 H 0.309754 0.426062 0.703590 0.044 Uiso 1 1 calc R U . . .
C52 C 0.4746(3) 0.3799(3) 0.6698(2) 0.0302(9) Uani 1 1 d . . . . .
C53 C 0.5534(4) 0.3864(3) 0.6541(3) 0.0405(11) Uani 1 1 d . . . . .
H53 H 0.610279 0.429858 0.684928 0.049 Uiso 1 1 calc R U . . .
C54 C 0.5492(5) 0.3281(4) 0.5921(3) 0.0518(15) Uani 1 1 d . . . . .
H54 H 0.602959 0.331612 0.580485 0.062 Uiso 1 1 calc R U . . .
C55 C 0.4643(5) 0.2647(3) 0.5474(3) 0.0500(15) Uani 1 1 d . . . . .
H55 H 0.460543 0.225725 0.504979 0.060 Uiso 1 1 calc R U . . .
C56 C 0.3865(4) 0.2587(3) 0.5647(3) 0.0455(13) Uani 1 1 d . . . . .
H56 H 0.329373 0.214869 0.534507 0.055 Uiso 1 1 calc R U . . .
C57 C 0.3908(4) 0.3159(3) 0.6258(3) 0.0390(11) Uani 1 1 d . . . . .
H57 H 0.336947 0.311601 0.637616 0.047 Uiso 1 1 calc R U . . .
C58 C 0.5832(3) 0.4849(3) 0.8084(2) 0.0277(9) Uani 1 1 d . . . . .
C59 C 0.6562(3) 0.5654(3) 0.8354(3) 0.0347(10) Uani 1 1 d . . . . .
H59 H 0.653358 0.606853 0.823244 0.042 Uiso 1 1 calc R U . . .
C60 C 0.7334(4) 0.5862(3) 0.8802(3) 0.0415(11) Uani 1 1 d . . . . .
H60 H 0.783558 0.641449 0.897852 0.050 Uiso 1 1 calc R U . . .
C61 C 0.7378(3) 0.5269(4) 0.8992(3) 0.0420(12) Uani 1 1 d . . . . .
H61 H 0.790139 0.541612 0.930800 0.050 Uiso 1 1 calc R U . . .
C62 C 0.6656(4) 0.4464(4) 0.8720(3) 0.0397(11) Uani 1 1 d . . . . .
H62 H 0.668617 0.405635 0.885044 0.048 Uiso 1 1 calc R U . . .
C63 C 0.5873(3) 0.4233(3) 0.8252(2) 0.0327(9) Uani 1 1 d . . . . .
H63 H 0.538413 0.367140 0.805521 0.039 Uiso 1 1 calc R U . . .
C64 C 0.5393(3) 0.9450(3) 0.7487(3) 0.0337(10) Uani 1 1 d . . . . .
C65 C 0.4602(4) 0.9300(4) 0.7094(3) 0.0443(12) Uani 1 1 d . . . . .
H65 H 0.404503 0.905726 0.719627 0.053 Uiso 1 1 calc R U . . .
C66 C 0.4629(5) 0.9506(5) 0.6550(4) 0.0622(17) Uani 1 1 d . . . . .
H66 H 0.409220 0.940893 0.628281 0.075 Uiso 1 1 calc R U . . .
C67 C 0.5442(6) 0.9853(4) 0.6405(4) 0.0623(18) Uani 1 1 d . . . . .
H67 H 0.546180 0.999294 0.603477 0.075 Uiso 1 1 calc R U . . .
C68 C 0.6211(5) 0.9995(4) 0.6783(4) 0.0614(18) Uani 1 1 d . . . . .
H68 H 0.676292 1.023221 0.667253 0.074 Uiso 1 1 calc R U . . .
C69 C 0.6208(4) 0.9799(4) 0.7331(3) 0.0504(14) Uani 1 1 d . . . . .
H69 H 0.675126 0.990092 0.759432 0.060 Uiso 1 1 calc R U . . .
C70 C 0.6388(4) 0.9829(3) 0.8808(3) 0.0438(12) Uani 1 1 d . . . . .
H70A H 0.636980 0.964071 0.916586 0.066 Uiso 1 1 calc R U . . .
H70B H 0.647311 1.040490 0.899239 0.066 Uiso 1 1 calc R U . . .
H70C H 0.689061 0.982006 0.862318 0.066 Uiso 1 1 calc R U . . .
C71 C 0.4461(3) 0.9203(3) 0.8513(3) 0.0363(10) Uani 1 1 d . . . . .
H71A H 0.387524 0.875753 0.819261 0.054 Uiso 1 1 calc R U . . .
H71B H 0.450640 0.975686 0.861256 0.054 Uiso 1 1 calc R U . . .
H71C H 0.451497 0.913280 0.892838 0.054 Uiso 1 1 calc R U . . .
C72 C 0.5397(4) 0.8179(3) 1.1854(3) 0.0356(10) Uani 1 1 d . . . . .
C73 C 0.5992(4) 0.7975(3) 1.2139(3) 0.0386(11) Uani 1 1 d . . . . .
H73 H 0.638477 0.784161 1.189662 0.046 Uiso 1 1 calc R U . . .
C74 C 0.6024(4) 0.7962(3) 1.2761(3) 0.0448(12) Uani 1 1 d . . . . .
H74 H 0.645371 0.784753 1.294693 0.054 Uiso 1 1 calc R U . . .
C75 C 0.5439(5) 0.8115(3) 1.3112(3) 0.0482(14) Uani 1 1 d . . . . .
H75 H 0.543873 0.807648 1.352818 0.058 Uiso 1 1 calc R U . . .
C76 C 0.4859(6) 0.8321(4) 1.2854(3) 0.0616(18) Uani 1 1 d . . . . .
H76 H 0.445658 0.843595 1.309380 0.074 Uiso 1 1 calc R U . . .
C77 C 0.4855(5) 0.8364(4) 1.2238(3) 0.0543(16) Uani 1 1 d . . . . .
H77 H 0.445863 0.852884 1.207760 0.065 Uiso 1 1 calc R U . . .
C78 C 0.4445(4) 0.8070(3) 1.0737(3) 0.0386(11) Uani 1 1 d . . . . .
C79 C 0.3613(4) 0.7458(4) 1.0747(4) 0.0545(15) Uani 1 1 d . . . . .
H79 H 0.362889 0.717365 1.101626 0.065 Uiso 1 1 calc R U . . .
C80 C 0.2766(4) 0.7252(5) 1.0379(4) 0.0600(17) Uani 1 1 d . . . . .
H80 H 0.222724 0.683596 1.040129 0.072 Uiso 1 1 calc R U . . .
C81 C 0.2724(4) 0.7656(5) 0.9988(3) 0.0585(17) Uani 1 1 d . . . . .
H81 H 0.215550 0.752643 0.974157 0.070 Uiso 1 1 calc R U . . .
C82 C 0.3508(4) 0.8247(4) 0.9954(3) 0.0474(13) Uani 1 1 d . . . . .
H82 H 0.348182 0.852042 0.967721 0.057 Uiso 1 1 calc R U . . .
C83 C 0.4361(4) 0.8454(3) 1.0331(2) 0.0365(10) Uani 1 1 d . . . . .
H83 H 0.489384 0.887227 1.030427 0.044 Uiso 1 1 calc R U . . .
C84 C 0.6255(3) 0.9141(3) 1.1246(2) 0.0309(9) Uani 1 1 d . . . . .
C85 C 0.6738(3) 0.9814(3) 1.1890(2) 0.0319(9) Uani 1 1 d . . . . .
H85 H 0.657349 0.973487 1.226954 0.038 Uiso 1 1 calc R U . . .
C86 C 0.7442(4) 1.0587(3) 1.1994(3) 0.0372(10) Uani 1 1 d . . . . .
H86 H 0.775532 1.101964 1.243753 0.045 Uiso 1 1 calc R U . . .
C87 C 0.7691(4) 1.0729(3) 1.1448(3) 0.0408(11) Uani 1 1 d . . . . .
H87 H 0.816704 1.126016 1.151545 0.049 Uiso 1 1 calc R U . . .
C88 C 0.7236(4) 1.0088(3) 1.0807(3) 0.0380(11) Uani 1 1 d . . . . .
H88 H 0.739840 1.017745 1.043063 0.046 Uiso 1 1 calc R U . . .
C89 C 0.6542(3) 0.9310(3) 1.0712(2) 0.0337(10) Uani 1 1 d . . . . .
H89 H 0.624822 0.887478 1.026712 0.040 Uiso 1 1 calc R U . . .
C90 C 0.5609(3) 0.7458(3) 1.0657(2) 0.0314(9) Uani 1 1 d . . . . .
C91 C 0.4929(3) 0.6607(3) 1.0381(2) 0.0333(10) Uani 1 1 d . . . . .
H91 H 0.435188 0.648682 1.045681 0.040 Uiso 1 1 calc R U . . .
C92 C 0.5055(4) 0.5942(3) 1.0007(2) 0.0381(11) Uani 1 1 d . . . . .
H92 H 0.457016 0.538029 0.982815 0.046 Uiso 1 1 calc R U . . .
C93 C 0.5901(4) 0.6091(3) 0.9890(2) 0.0367(11) Uani 1 1 d . . . . .
H93 H 0.599542 0.563453 0.963492 0.044 Uiso 1 1 calc R U . . .
C94 C 0.6589(4) 0.6912(3) 1.0151(3) 0.0377(11) Uani 1 1 d . . . . .
H94 H 0.716386 0.702799 1.007443 0.045 Uiso 1 1 calc R U . . .
C95 C 0.6441(3) 0.7581(3) 1.0533(2) 0.0357(10) Uani 1 1 d . . . . .
H95 H 0.692921 0.814180 1.071406 0.043 Uiso 1 1 calc R U . . .
B1 B 0.5420(4) 0.8219(3) 1.1125(3) 0.0335(11) Uani 1 1 d . . . . .
C96 C -0.0508(3) 0.2799(3) 0.6694(3) 0.0399(11) Uani 1 1 d . . . . .
C97 C 0.0006(4) 0.3435(3) 0.7335(3) 0.0458(13) Uani 1 1 d . . . . .
H97 H 0.006208 0.327858 0.769143 0.055 Uiso 1 1 calc R U . . .
C98 C 0.0443(4) 0.4289(4) 0.7478(4) 0.0587(16) Uani 1 1 d . . . . .
H98 H 0.079666 0.469954 0.792182 0.070 Uiso 1 1 calc R U . . .
C99 C 0.0364(4) 0.4541(4) 0.6973(4) 0.0578(17) Uani 1 1 d . . . . .
H99 H 0.064578 0.512405 0.707058 0.069 Uiso 1 1 calc R U . . .
C100 C -0.0125(3) 0.3938(4) 0.6332(4) 0.0487(14) Uani 1 1 d . . . . .
H100 H -0.016729 0.410108 0.597915 0.058 Uiso 1 1 calc R U . . .
C101 C -0.0559(4) 0.3089(4) 0.6198(3) 0.0445(12) Uani 1 1 d . . . . .
H101 H -0.090704 0.268362 0.575095 0.053 Uiso 1 1 calc R U . . .
C102 C -0.1932(4) 0.1226(4) 0.5927(3) 0.0426(12) Uani 1 1 d . . . . .
C103 C -0.2265(4) 0.0379(3) 0.5480(3) 0.0460(13) Uani 1 1 d . . . . .
H103 H -0.189109 0.012710 0.548519 0.055 Uiso 1 1 calc R U . . .
C104 C -0.3117(5) -0.0108(4) 0.5030(3) 0.0566(16) Uani 1 1 d . . . . .
H104 H -0.331399 -0.068392 0.474429 0.068 Uiso 1 1 calc R U . . .
C105 C -0.3676(5) 0.0217(5) 0.4987(4) 0.065(2) Uani 1 1 d . . . . .
H105 H -0.424978 -0.011871 0.466480 0.078 Uiso 1 1 calc R U . . .
C106 C -0.3390(4) 0.1064(4) 0.5431(3) 0.0554(16) Uani 1 1 d . . . . .
H106 H -0.376972 0.130765 0.541668 0.066 Uiso 1 1 calc R U . . .
C107 C -0.2530(4) 0.1541(4) 0.5897(3) 0.0461(13) Uani 1 1 d . . . . .
H107 H -0.234831 0.210418 0.620559 0.055 Uiso 1 1 calc R U . . .
C108 C -0.1157(4) 0.1618(3) 0.7161(3) 0.0417(12) Uani 1 1 d . . . . .
C109 C -0.1635(4) 0.1944(4) 0.7538(3) 0.0521(14) Uani 1 1 d . . . . .
H109 H -0.183485 0.227283 0.740578 0.063 Uiso 1 1 calc R U . . .
C110 C -0.1841(5) 0.1818(5) 0.8101(4) 0.0655(19) Uani 1 1 d . . . . .
H110 H -0.217575 0.205388 0.833638 0.079 Uiso 1 1 calc R U . . .
C111 C -0.1559(5) 0.1354(5) 0.8313(3) 0.069(2) Uani 1 1 d . . . . .
H111 H -0.167675 0.127852 0.870296 0.083 Uiso 1 1 calc R U . . .
C112 C -0.1087(5) 0.0990(4) 0.7935(3) 0.0634(19) Uani 1 1 d . . . . .
H112 H -0.089275 0.065686 0.806581 0.076 Uiso 1 1 calc R U . . .
C113 C -0.0910(4) 0.1118(4) 0.7377(3) 0.0487(13) Uani 1 1 d . . . . .
H113 H -0.060499 0.085617 0.712587 0.058 Uiso 1 1 calc R U . . .
C114 C -0.0132(3) 0.1561(3) 0.6245(2) 0.0600(9) Uani 1 1 d G U . . .
C115 C 0.0620(3) 0.1786(3) 0.67270(18) 0.0621(9) Uani 1 1 d G U . . .
H115 H 0.065631 0.203192 0.719085 0.075 Uiso 1 1 calc R U . . .
C116 C 0.1320(2) 0.1652(3) 0.6530(2) 0.0646(9) Uani 1 1 d G U . . .
H116 H 0.183464 0.180571 0.685951 0.078 Uiso 1 1 calc R U . . .
C117 C 0.1268(3) 0.1292(3) 0.5852(2) 0.0660(9) Uani 1 1 d G U . . .
H117 H 0.174636 0.120008 0.571702 0.079 Uiso 1 1 calc R U . . .
C118 C 0.0516(3) 0.1067(3) 0.53697(19) 0.0667(9) Uani 1 1 d G U . . .
H118 H 0.047974 0.082064 0.490585 0.080 Uiso 1 1 calc R U . . .
C119 C -0.0184(3) 0.1201(3) 0.5566(2) 0.0637(9) Uani 1 1 d G U . . .
H119 H -0.069859 0.104684 0.523718 0.076 Uiso 1 1 calc R U . . .
B2 B -0.0945(4) 0.1790(4) 0.6502(3) 0.0393(12) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl1 2.3644(9) . ?
Os1 P1 2.3943(10) . ?
Os1 P2 2.3913(10) . ?
Os1 N1 2.085(3) . ?
Os1 C1 2.059(4) . ?
Os1 C9 1.874(4) . ?
P1 C10 1.823(5) . ?
P1 C16 1.837(4) . ?
P1 C22 1.830(5) . ?
P2 C28 1.823(4) . ?
P2 C34 1.823(5) . ?
P2 C40 1.824(4) . ?
P3 C2 1.792(4) . ?
P3 C46 1.795(5) . ?
P3 C52 1.801(5) . ?
P3 C58 1.797(5) . ?
P4 C8 1.759(4) . ?
P4 C64 1.789(5) . ?
P4 C70 1.790(5) . ?
P4 C71 1.786(5) . ?
N1 C3 1.364(5) . ?
N1 C7 1.382(5) . ?
C1 H1 0.9500 . ?
C1 C2 1.367(6) . ?
C2 C3 1.463(6) . ?
C3 C4 1.399(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.388(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.373(6) . ?
C7 C8 1.463(6) . ?
C8 C9 1.356(6) . ?
C10 C11 1.417(7) . ?
C10 C15 1.390(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.395(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.365(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.396(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(6) . ?
C16 C21 1.408(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.416(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.375(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.368(7) . ?
C20 H20 0.9500 . ?
C20 C21 1.395(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.392(6) . ?
C22 C27 1.394(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.388(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.379(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.405(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.371(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.405(6) . ?
C28 C33 1.402(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.382(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.390(7) . ?
C31 H31 0.9500 . ?
C31 C32 1.394(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.382(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.399(7) . ?
C34 C39 1.387(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.394(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.369(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.395(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.393(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.397(7) . ?
C40 C45 1.403(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.393(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.372(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.383(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.371(8) . ?
C45 H45 0.9500 . ?
C46 C47 1.395(6) . ?
C46 C51 1.395(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.382(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.375(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.408(9) . ?
C50 H50 0.9500 . ?
C50 C51 1.380(8) . ?
C51 H51 0.9500 . ?
C52 C53 1.375(8) . ?
C52 C57 1.390(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.405(7) . ?
C54 H54 0.9500 . ?
C54 C55 1.403(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.373(9) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(7) . ?
C57 H57 0.9500 . ?
C58 C59 1.381(7) . ?
C58 C63 1.394(6) . ?
C59 H59 0.9500 . ?
C59 C60 1.384(7) . ?
C60 H60 0.9500 . ?
C60 C61 1.381(8) . ?
C61 H61 0.9500 . ?
C61 C62 1.376(8) . ?
C62 H62 0.9500 . ?
C62 C63 1.407(7) . ?
C63 H63 0.9500 . ?
C64 C65 1.393(7) . ?
C64 C69 1.394(8) . ?
C65 H65 0.9500 . ?
C65 C66 1.395(8) . ?
C66 H66 0.9500 . ?
C66 C67 1.381(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.353(11) . ?
C68 H68 0.9500 . ?
C68 C69 1.396(10) . ?
C69 H69 0.9500 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C73 1.409(8) . ?
C72 C77 1.373(8) . ?
C72 B1 1.645(7) . ?
C73 H73 0.9500 . ?
C73 C74 1.384(7) . ?
C74 H74 0.9500 . ?
C74 C75 1.374(9) . ?
C75 H75 0.9500 . ?
C75 C76 1.360(10) . ?
C76 H76 0.9500 . ?
C76 C77 1.395(9) . ?
C77 H77 0.9500 . ?
C78 C79 1.418(8) . ?
C78 C83 1.387(8) . ?
C78 B1 1.656(8) . ?
C79 H79 0.9500 . ?
C79 C80 1.407(9) . ?
C80 H80 0.9500 . ?
C80 C81 1.374(11) . ?
C81 H81 0.9500 . ?
C81 C82 1.371(10) . ?
C82 H82 0.9500 . ?
C82 C83 1.423(8) . ?
C83 H83 0.9500 . ?
C84 C85 1.410(7) . ?
C84 C89 1.406(7) . ?
C84 B1 1.653(8) . ?
C85 H85 0.9500 . ?
C85 C86 1.386(7) . ?
C86 H86 0.9500 . ?
C86 C87 1.392(8) . ?
C87 H87 0.9500 . ?
C87 C88 1.381(8) . ?
C88 H88 0.9500 . ?
C88 C89 1.392(7) . ?
C89 H89 0.9500 . ?
C90 C91 1.408(7) . ?
C90 C95 1.397(7) . ?
C90 B1 1.647(7) . ?
C91 H91 0.9500 . ?
C91 C92 1.375(7) . ?
C92 H92 0.9500 . ?
C92 C93 1.406(8) . ?
C93 H93 0.9500 . ?
C93 C94 1.376(8) . ?
C94 H94 0.9500 . ?
C94 C95 1.406(7) . ?
C95 H95 0.9500 . ?
C96 C97 1.392(8) . ?
C96 C101 1.413(8) . ?
C96 B2 1.636(8) . ?
C97 H97 0.9500 . ?
C97 C98 1.392(9) . ?
C98 H98 0.9500 . ?
C98 C99 1.388(10) . ?
C99 H99 0.9500 . ?
C99 C100 1.369(10) . ?
C100 H100 0.9500 . ?
C100 C101 1.388(8) . ?
C101 H101 0.9500 . ?
C102 C103 1.399(8) . ?
C102 C107 1.392(8) . ?
C102 B2 1.654(8) . ?
C103 H103 0.9500 . ?
C103 C104 1.384(9) . ?
C104 H104 0.9500 . ?
C104 C105 1.353(11) . ?
C105 H105 0.9500 . ?
C105 C106 1.411(11) . ?
C106 H106 0.9500 . ?
C106 C107 1.408(8) . ?
C107 H107 0.9500 . ?
C108 C109 1.385(9) . ?
C108 C113 1.405(8) . ?
C108 B2 1.645(8) . ?
C109 H109 0.9500 . ?
C109 C110 1.397(9) . ?
C110 H110 0.9500 . ?
C110 C111 1.371(12) . ?
C111 H111 0.9500 . ?
C111 C112 1.414(12) . ?
C112 H112 0.9500 . ?
C112 C113 1.376(9) . ?
C113 H113 0.9500 . ?
C114 C115 1.3900 . ?
C114 C119 1.3900 . ?
C114 B2 1.699(7) . ?
C115 H115 0.9500 . ?
C115 C116 1.3900 . ?
C116 H116 0.9500 . ?
C116 C117 1.3900 . ?
C117 H117 0.9500 . ?
C117 C118 1.3900 . ?
C118 H118 0.9500 . ?
C118 C119 1.3900 . ?
C119 H119 0.9500 . ?

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
Cl1 Os1 P1 87.86(3) . . ?
Cl1 Os1 P2 87.64(3) . . ?
P2 Os1 P1 175.11(3) . . ?
N1 Os1 Cl1 173.25(9) . . ?
N1 Os1 P1 93.66(9) . . ?
N1 Os1 P2 91.02(9) . . ?
C1 Os1 Cl1 99.00(12) . . ?
C1 Os1 P1 90.55(11) . . ?
C1 Os1 P2 92.04(11) . . ?
C1 Os1 N1 74.42(15) . . ?
C9 Os1 Cl1 112.74(13) . . ?
C9 Os1 P1 89.85(13) . . ?
C9 Os1 P2 90.12(13) . . ?
C9 Os1 N1 73.87(16) . . ?
C9 Os1 C1 148.25(17) . . ?
C10 P1 Os1 115.57(15) . . ?
C10 P1 C16 101.6(2) . . ?
C10 P1 C22 103.1(2) . . ?
C16 P1 Os1 115.39(14) . . ?
C22 P1 Os1 113.97(15) . . ?
C22 P1 C16 105.6(2) . . ?
C28 P2 Os1 115.59(14) . . ?
C28 P2 C34 105.0(2) . . ?
C28 P2 C40 104.3(2) . . ?
C34 P2 Os1 112.83(14) . . ?
C34 P2 C40 103.0(2) . . ?
C40 P2 Os1 114.83(16) . . ?
C2 P3 C46 107.2(2) . . ?
C2 P3 C52 109.02(19) . . ?
C2 P3 C58 111.3(2) . . ?
C46 P3 C52 110.4(2) . . ?
C46 P3 C58 111.5(2) . . ?
C58 P3 C52 107.4(2) . . ?
C8 P4 C64 106.0(2) . . ?
C8 P4 C70 110.8(2) . . ?
C8 P4 C71 112.2(2) . . ?
C64 P4 C70 109.7(3) . . ?
C71 P4 C64 110.5(2) . . ?
C71 P4 C70 107.6(3) . . ?
C3 N1 Os1 120.7(3) . . ?
C3 N1 C7 120.1(4) . . ?
C7 N1 Os1 119.2(3) . . ?
Os1 C1 H1 120.1 . . ?
C2 C1 Os1 119.9(3) . . ?
C2 C1 H1 120.1 . . ?
C1 C2 P3 123.8(3) . . ?
C1 C2 C3 113.8(4) . . ?
C3 C2 P3 122.3(3) . . ?
N1 C3 C2 111.1(4) . . ?
N1 C3 C4 120.1(4) . . ?
C4 C3 C2 128.8(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.4(4) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.3(4) . . ?
C6 C5 H5 119.9 . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.4(4) . . ?
C7 C6 H6 120.3 . . ?
N1 C7 C8 109.0(4) . . ?
C6 C7 N1 120.7(4) . . ?
C6 C7 C8 130.3(4) . . ?
C7 C8 P4 127.1(3) . . ?
C9 C8 P4 122.4(3) . . ?
C9 C8 C7 110.4(4) . . ?
C8 C9 Os1 127.6(3) . . ?
C11 C10 P1 118.9(4) . . ?
C15 C10 P1 120.7(3) . . ?
C15 C10 C11 120.0(4) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 C10 118.6(5) . . ?
C12 C11 H11 120.7 . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.8(5) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 121.0(5) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.3(5) . . ?
C15 C14 H14 120.4 . . ?
C10 C15 H15 119.8 . . ?
C14 C15 C10 120.4(5) . . ?
C14 C15 H15 119.8 . . ?
C17 C16 P1 121.4(3) . . ?
C17 C16 C21 119.0(4) . . ?
C21 C16 P1 119.5(3) . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.8(4) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.7(4) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 120.1(4) . . ?
C20 C21 H21 120.0 . . ?
C23 C22 P1 117.4(3) . . ?
C23 C22 C27 119.4(4) . . ?
C27 C22 P1 123.2(4) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.8(4) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(5) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.6(5) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.7(5) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 H27 120.1 . . ?
C26 C27 C22 119.9(5) . . ?
C26 C27 H27 120.1 . . ?
C29 C28 P2 118.3(3) . . ?
C33 C28 P2 123.0(4) . . ?
C33 C28 C29 118.7(4) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.3(4) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.4(5) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 119.9(5) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.8(5) . . ?
C33 C32 H32 120.1 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.8(5) . . ?
C32 C33 H33 119.6 . . ?
C35 C34 P2 120.9(4) . . ?
C39 C34 P2 120.8(4) . . ?
C39 C34 C35 118.2(4) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.4(5) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.3(5) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.6(5) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 120.7 . . ?
C39 C38 C37 118.6(5) . . ?
C39 C38 H38 120.7 . . ?
C34 C39 C38 121.9(5) . . ?
C34 C39 H39 119.1 . . ?
C38 C39 H39 119.1 . . ?
C41 C40 P2 121.1(3) . . ?
C41 C40 C45 119.2(4) . . ?
C45 C40 P2 119.5(4) . . ?
C40 C41 H41 120.3 . . ?
C42 C41 C40 119.5(5) . . ?
C42 C41 H41 120.3 . . ?
C41 C42 H42 119.5 . . ?
C43 C42 C41 121.0(6) . . ?
C43 C42 H42 119.5 . . ?
C42 C43 H43 120.4 . . ?
C42 C43 C44 119.2(5) . . ?
C44 C43 H43 120.4 . . ?
C43 C44 H44 119.3 . . ?
C45 C44 C43 121.4(5) . . ?
C45 C44 H44 119.3 . . ?
C40 C45 H45 120.1 . . ?
C44 C45 C40 119.8(5) . . ?
C44 C45 H45 120.1 . . ?
C47 C46 P3 123.6(4) . . ?
C51 C46 P3 116.1(4) . . ?
C51 C46 C47 120.3(4) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 C46 119.2(5) . . ?
C48 C47 H47 120.4 . . ?
C47 C48 H48 119.6 . . ?
C49 C48 C47 120.7(5) . . ?
C49 C48 H48 119.6 . . ?
C48 C49 H49 119.8 . . ?
C48 C49 C50 120.5(5) . . ?
C50 C49 H49 119.8 . . ?
C49 C50 H50 120.5 . . ?
C51 C50 C49 119.0(5) . . ?
C51 C50 H50 120.5 . . ?
C46 C51 H51 119.8 . . ?
C50 C51 C46 120.3(5) . . ?
C50 C51 H51 119.8 . . ?
C53 C52 P3 117.3(4) . . ?
C53 C52 C57 121.1(5) . . ?
C57 C52 P3 121.6(4) . . ?
C52 C53 H53 120.3 . . ?
C52 C53 C54 119.4(5) . . ?
C54 C53 H53 120.3 . . ?
C53 C54 H54 120.5 . . ?
C55 C54 C53 119.0(6) . . ?
C55 C54 H54 120.5 . . ?
C54 C55 H55 119.8 . . ?
C56 C55 C54 120.5(5) . . ?
C56 C55 H55 119.8 . . ?
C55 C56 H56 119.8 . . ?
C55 C56 C57 120.4(5) . . ?
C57 C56 H56 119.8 . . ?
C52 C57 H57 120.2 . . ?
C56 C57 C52 119.6(5) . . ?
C56 C57 H57 120.2 . . ?
C59 C58 P3 119.9(3) . . ?
C59 C58 C63 120.1(4) . . ?
C63 C58 P3 120.0(4) . . ?
C58 C59 H59 119.7 . . ?
C58 C59 C60 120.6(5) . . ?
C60 C59 H59 119.7 . . ?
C59 C60 H60 119.8 . . ?
C61 C60 C59 120.3(5) . . ?
C61 C60 H60 119.8 . . ?
C60 C61 H61 120.3 . . ?
C62 C61 C60 119.4(5) . . ?
C62 C61 H61 120.3 . . ?
C61 C62 H62 119.4 . . ?
C61 C62 C63 121.2(5) . . ?
C63 C62 H62 119.4 . . ?
C58 C63 C62 118.4(5) . . ?
C58 C63 H63 120.8 . . ?
C62 C63 H63 120.8 . . ?
C65 C64 P4 119.8(4) . . ?
C65 C64 C69 119.9(5) . . ?
C69 C64 P4 120.2(4) . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 119.9(6) . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.3 . . ?
C67 C66 C65 119.4(7) . . ?
C67 C66 H66 120.3 . . ?
C66 C67 H67 119.6 . . ?
C68 C67 C66 120.9(6) . . ?
C68 C67 H67 119.6 . . ?
C67 C68 H68 119.4 . . ?
C67 C68 C69 121.1(6) . . ?
C69 C68 H68 119.4 . . ?
C64 C69 C68 118.8(6) . . ?
C64 C69 H69 120.6 . . ?
C68 C69 H69 120.6 . . ?
P4 C70 H70A 109.5 . . ?
P4 C70 H70B 109.5 . . ?
P4 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
P4 C71 H71A 109.5 . . ?
P4 C71 H71B 109.5 . . ?
P4 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C73 C72 B1 119.7(4) . . ?
C77 C72 C73 115.1(5) . . ?
C77 C72 B1 125.2(5) . . ?
C72 C73 H73 119.0 . . ?
C74 C73 C72 122.0(5) . . ?
C74 C73 H73 119.0 . . ?
C73 C74 H74 119.7 . . ?
C75 C74 C73 120.6(6) . . ?
C75 C74 H74 119.7 . . ?
C74 C75 H75 120.6 . . ?
C76 C75 C74 118.8(5) . . ?
C76 C75 H75 120.6 . . ?
C75 C76 H76 119.9 . . ?
C75 C76 C77 120.2(6) . . ?
C77 C76 H76 119.9 . . ?
C72 C77 C76 123.1(6) . . ?
C72 C77 H77 118.4 . . ?
C76 C77 H77 118.4 . . ?
C79 C78 B1 120.8(5) . . ?
C83 C78 C79 114.6(5) . . ?
C83 C78 B1 124.3(5) . . ?
C78 C79 H79 118.3 . . ?
C80 C79 C78 123.3(6) . . ?
C80 C79 H79 118.3 . . ?
C79 C80 H80 120.2 . . ?
C81 C80 C79 119.5(6) . . ?
C81 C80 H80 120.2 . . ?
C80 C81 H81 120.2 . . ?
C82 C81 C80 119.6(6) . . ?
C82 C81 H81 120.2 . . ?
C81 C82 H82 119.8 . . ?
C81 C82 C83 120.4(6) . . ?
C83 C82 H82 119.8 . . ?
C78 C83 C82 122.6(5) . . ?
C78 C83 H83 118.7 . . ?
C82 C83 H83 118.7 . . ?
C85 C84 B1 122.6(4) . . ?
C89 C84 C85 115.0(4) . . ?
C89 C84 B1 122.4(4) . . ?
C84 C85 H85 118.6 . . ?
C86 C85 C84 122.8(5) . . ?
C86 C85 H85 118.6 . . ?
C85 C86 H86 120.0 . . ?
C85 C86 C87 120.1(5) . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 120.5 . . ?
C88 C87 C86 119.1(5) . . ?
C88 C87 H87 120.5 . . ?
C87 C88 H88 119.9 . . ?
C87 C88 C89 120.2(5) . . ?
C89 C88 H88 119.9 . . ?
C84 C89 H89 118.6 . . ?
C88 C89 C84 122.8(5) . . ?
C88 C89 H89 118.6 . . ?
C91 C90 B1 120.6(4) . . ?
C95 C90 C91 114.8(4) . . ?
C95 C90 B1 124.5(4) . . ?
C90 C91 H91 118.3 . . ?
C92 C91 C90 123.4(5) . . ?
C92 C91 H91 118.3 . . ?
C91 C92 H92 119.9 . . ?
C91 C92 C93 120.2(5) . . ?
C93 C92 H92 119.9 . . ?
C92 C93 H93 120.7 . . ?
C94 C93 C92 118.5(4) . . ?
C94 C93 H93 120.7 . . ?
C93 C94 H94 119.9 . . ?
C93 C94 C95 120.1(5) . . ?
C95 C94 H94 119.9 . . ?
C90 C95 C94 123.0(5) . . ?
C90 C95 H95 118.5 . . ?
C94 C95 H95 118.5 . . ?
C72 B1 C78 111.5(4) . . ?
C72 B1 C84 109.2(4) . . ?
C72 B1 C90 107.5(4) . . ?
C84 B1 C78 110.6(4) . . ?
C90 B1 C78 108.7(4) . . ?
C90 B1 C84 109.2(4) . . ?
C97 C96 C101 114.7(5) . . ?
C97 C96 B2 123.6(5) . . ?
C101 C96 B2 121.5(5) . . ?
C96 C97 H97 118.6 . . ?
C96 C97 C98 122.9(6) . . ?
C98 C97 H97 118.6 . . ?
C97 C98 H98 119.9 . . ?
C99 C98 C97 120.2(6) . . ?
C99 C98 H98 119.9 . . ?
C98 C99 H99 120.5 . . ?
C100 C99 C98 119.0(6) . . ?
C100 C99 H99 120.5 . . ?
C99 C100 H100 119.9 . . ?
C99 C100 C101 120.2(6) . . ?
C101 C100 H100 119.9 . . ?
C96 C101 H101 118.5 . . ?
C100 C101 C96 123.0(6) . . ?
C100 C101 H101 118.5 . . ?
C103 C102 B2 122.9(5) . . ?
C107 C102 C103 115.0(5) . . ?
C107 C102 B2 121.8(5) . . ?
C102 C103 H103 118.6 . . ?
C104 C103 C102 122.7(6) . . ?
C104 C103 H103 118.6 . . ?
C103 C104 H104 119.2 . . ?
C105 C104 C103 121.5(6) . . ?
C105 C104 H104 119.2 . . ?
C104 C105 H105 120.6 . . ?
C104 C105 C106 118.7(6) . . ?
C106 C105 H105 120.6 . . ?
C105 C106 H106 120.6 . . ?
C107 C106 C105 118.7(6) . . ?
C107 C106 H106 120.6 . . ?
C102 C107 C106 123.2(6) . . ?
C102 C107 H107 118.4 . . ?
C106 C107 H107 118.4 . . ?
C109 C108 C113 114.5(6) . . ?
C109 C108 B2 121.1(5) . . ?
C113 C108 B2 124.4(5) . . ?
C108 C109 H109 118.1 . . ?
C108 C109 C110 123.9(7) . . ?
C110 C109 H109 118.1 . . ?
C109 C110 H110 120.0 . . ?
C111 C110 C109 120.0(7) . . ?
C111 C110 H110 120.0 . . ?
C110 C111 H111 120.9 . . ?
C110 C111 C112 118.2(6) . . ?
C112 C111 H111 120.9 . . ?
C111 C112 H112 120.1 . . ?
C113 C112 C111 119.9(7) . . ?
C113 C112 H112 120.1 . . ?
C108 C113 H113 118.3 . . ?
C112 C113 C108 123.4(7) . . ?
C112 C113 H113 118.3 . . ?
C115 C114 C119 120.0 . . ?
C115 C114 B2 118.9(3) . . ?
C119 C114 B2 121.0(3) . . ?
C114 C115 H115 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 H117 120.0 . . ?
C116 C117 C118 120.0 . . ?
C118 C117 H117 120.0 . . ?
C117 C118 H118 120.0 . . ?
C119 C118 C117 120.0 . . ?
C119 C118 H118 120.0 . . ?
C114 C119 H119 120.0 . . ?
C118 C119 C114 120.0 . . ?
C118 C119 H119 120.0 . . ?
C96 B2 C102 111.9(4) . . ?
C96 B2 C108 110.4(5) . . ?
C96 B2 C114 103.1(4) . . ?
C102 B2 C114 113.8(5) . . ?
C108 B2 C102 105.2(4) . . ?
C108 B2 C114 112.6(4) . . ?

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 C10 C11 -155.9(3) . . . . ?
Os1 P1 C10 C15 31.6(4) . . . . ?
Os1 P1 C16 C17 -123.8(3) . . . . ?
Os1 P1 C16 C21 57.7(4) . . . . ?
Os1 P1 C22 C23 51.0(4) . . . . ?
Os1 P1 C22 C27 -130.4(4) . . . . ?
Os1 P2 C28 C29 -43.6(4) . . . . ?
Os1 P2 C28 C33 137.0(3) . . . . ?
Os1 P2 C34 C35 105.7(4) . . . . ?
Os1 P2 C34 C39 -70.4(4) . . . . ?
Os1 P2 C40 C41 -26.0(4) . . . . ?
Os1 P2 C40 C45 160.0(3) . . . . ?
Os1 N1 C3 C2 2.9(5) . . . . ?
Os1 N1 C3 C4 -178.8(3) . . . . ?
Os1 N1 C7 C6 178.4(3) . . . . ?
Os1 N1 C7 C8 -1.6(4) . . . . ?
Os1 C1 C2 P3 179.6(2) . . . . ?
Os1 C1 C2 C3 1.5(5) . . . . ?
Cl1 Os1 C9 C8 178.5(4) . . . . ?
P1 Os1 C9 C8 -93.9(4) . . . . ?
P1 C10 C11 C12 -171.9(4) . . . . ?
P1 C10 C15 C14 171.0(4) . . . . ?
P1 C16 C17 C18 -178.6(4) . . . . ?
P1 C16 C21 C20 179.8(3) . . . . ?
P1 C22 C23 C24 178.3(4) . . . . ?
P1 C22 C27 C26 180.0(5) . . . . ?
P2 Os1 C9 C8 91.0(4) . . . . ?
P2 C28 C29 C30 -179.8(3) . . . . ?
P2 C28 C33 C32 -178.2(4) . . . . ?
P2 C34 C35 C36 -176.9(4) . . . . ?
P2 C34 C39 C38 176.3(4) . . . . ?
P2 C40 C41 C42 -174.8(4) . . . . ?
P2 C40 C45 C44 175.0(4) . . . . ?
P3 C2 C3 N1 179.2(3) . . . . ?
P3 C2 C3 C4 1.1(6) . . . . ?
P3 C46 C47 C48 178.9(4) . . . . ?
P3 C46 C51 C50 -179.6(4) . . . . ?
P3 C52 C53 C54 -178.0(4) . . . . ?
P3 C52 C57 C56 177.9(4) . . . . ?
P3 C58 C59 C60 -178.6(4) . . . . ?
P3 C58 C63 C62 -179.9(4) . . . . ?
P4 C8 C9 Os1 175.6(2) . . . . ?
P4 C64 C65 C66 -176.8(5) . . . . ?
P4 C64 C69 C68 176.6(5) . . . . ?
N1 Os1 C9 C8 -0.1(4) . . . . ?
N1 C3 C4 C5 0.5(7) . . . . ?
N1 C7 C8 P4 -174.7(3) . . . . ?
N1 C7 C8 C9 1.5(5) . . . . ?
C1 Os1 C9 C8 -3.1(6) . . . . ?
C1 C2 C3 N1 -2.7(5) . . . . ?
C1 C2 C3 C4 179.2(4) . . . . ?
C2 P3 C46 C47 -132.9(4) . . . . ?
C2 P3 C46 C51 46.6(4) . . . . ?
C2 P3 C52 C53 85.4(4) . . . . ?
C2 P3 C52 C57 -93.6(4) . . . . ?
C2 P3 C58 C59 -4.3(4) . . . . ?
C2 P3 C58 C63 178.2(4) . . . . ?
C2 C3 C4 C5 178.5(4) . . . . ?
C3 N1 C7 C6 -0.6(6) . . . . ?
C3 N1 C7 C8 179.4(4) . . . . ?
C3 C4 C5 C6 -0.7(7) . . . . ?
C4 C5 C6 C7 0.3(7) . . . . ?
C5 C6 C7 N1 0.3(7) . . . . ?
C5 C6 C7 C8 -179.6(4) . . . . ?
C6 C7 C8 P4 5.2(7) . . . . ?
C6 C7 C8 C9 -178.6(4) . . . . ?
C7 N1 C3 C2 -178.2(4) . . . . ?
C7 N1 C3 C4 0.2(6) . . . . ?
C7 C8 C9 Os1 -0.8(6) . . . . ?
C8 P4 C64 C65 90.0(5) . . . . ?
C8 P4 C64 C69 -86.2(5) . . . . ?
C10 P1 C16 C17 2.0(4) . . . . ?
C10 P1 C16 C21 -176.5(4) . . . . ?
C10 P1 C22 C23 -75.1(4) . . . . ?
C10 P1 C22 C27 103.5(5) . . . . ?
C10 C11 C12 C13 0.5(8) . . . . ?
C11 C10 C15 C14 -1.5(7) . . . . ?
C11 C12 C13 C14 -1.0(8) . . . . ?
C12 C13 C14 C15 0.2(8) . . . . ?
C13 C14 C15 C10 1.0(8) . . . . ?
C15 C10 C11 C12 0.7(7) . . . . ?
C16 P1 C10 C11 78.4(4) . . . . ?
C16 P1 C10 C15 -94.1(4) . . . . ?
C16 P1 C22 C23 178.7(4) . . . . ?
C16 P1 C22 C27 -2.7(5) . . . . ?
C16 C17 C18 C19 -0.9(7) . . . . ?
C17 C16 C21 C20 1.3(7) . . . . ?
C17 C18 C19 C20 0.7(7) . . . . ?
C18 C19 C20 C21 0.5(7) . . . . ?
C19 C20 C21 C16 -1.5(7) . . . . ?
C21 C16 C17 C18 -0.1(7) . . . . ?
C22 P1 C10 C11 -30.9(4) . . . . ?
C22 P1 C10 C15 156.6(4) . . . . ?
C22 P1 C16 C17 109.3(4) . . . . ?
C22 P1 C16 C21 -69.1(4) . . . . ?
C22 C23 C24 C25 1.7(8) . . . . ?
C23 C22 C27 C26 -1.4(9) . . . . ?
C23 C24 C25 C26 -1.4(9) . . . . ?
C24 C25 C26 C27 -0.3(11) . . . . ?
C25 C26 C27 C22 1.8(11) . . . . ?
C27 C22 C23 C24 -0.3(7) . . . . ?
C28 P2 C34 C35 -127.5(4) . . . . ?
C28 P2 C34 C39 56.3(4) . . . . ?
C28 P2 C40 C41 -153.5(4) . . . . ?
C28 P2 C40 C45 32.5(4) . . . . ?
C28 C29 C30 C31 -1.6(7) . . . . ?
C29 C28 C33 C32 2.5(7) . . . . ?
C29 C30 C31 C32 1.7(8) . . . . ?
C30 C31 C32 C33 0.4(8) . . . . ?
C31 C32 C33 C28 -2.5(8) . . . . ?
C33 C28 C29 C30 -0.4(6) . . . . ?
C34 P2 C28 C29 -168.7(3) . . . . ?
C34 P2 C28 C33 12.0(4) . . . . ?
C34 P2 C40 C41 97.0(4) . . . . ?
C34 P2 C40 C45 -76.9(4) . . . . ?
C34 C35 C36 C37 1.2(8) . . . . ?
C35 C34 C39 C38 0.1(7) . . . . ?
C35 C36 C37 C38 -1.0(8) . . . . ?
C36 C37 C38 C39 0.4(8) . . . . ?
C37 C38 C39 C34 0.0(8) . . . . ?
C39 C34 C35 C36 -0.7(7) . . . . ?
C40 P2 C28 C29 83.4(4) . . . . ?
C40 P2 C28 C33 -96.0(4) . . . . ?
C40 P2 C34 C35 -18.7(4) . . . . ?
C40 P2 C34 C39 165.2(4) . . . . ?
C40 C41 C42 C43 0.4(8) . . . . ?
C41 C40 C45 C44 1.0(8) . . . . ?
C41 C42 C43 C44 0.0(9) . . . . ?
C42 C43 C44 C45 0.1(9) . . . . ?
C43 C44 C45 C40 -0.6(9) . . . . ?
C45 C40 C41 C42 -0.8(7) . . . . ?
C46 P3 C2 C1 -124.7(4) . . . . ?
C46 P3 C2 C3 53.2(4) . . . . ?
C46 P3 C52 C53 -157.0(4) . . . . ?
C46 P3 C52 C57 24.0(4) . . . . ?
C46 P3 C58 C59 -124.0(4) . . . . ?
C46 P3 C58 C63 58.5(4) . . . . ?
C46 C47 C48 C49 1.5(9) . . . . ?
C47 C46 C51 C50 -0.1(8) . . . . ?
C47 C48 C49 C50 -1.6(10) . . . . ?
C48 C49 C50 C51 0.9(10) . . . . ?
C49 C50 C51 C46 0.0(9) . . . . ?
C51 C46 C47 C48 -0.6(7) . . . . ?
C52 P3 C2 C1 -5.1(4) . . . . ?
C52 P3 C2 C3 172.8(3) . . . . ?
C52 P3 C46 C47 108.4(4) . . . . ?
C52 P3 C46 C51 -72.0(4) . . . . ?
C52 P3 C58 C59 115.0(4) . . . . ?
C52 P3 C58 C63 -62.6(4) . . . . ?
C52 C53 C54 C55 0.2(8) . . . . ?
C53 C52 C57 C56 -1.1(7) . . . . ?
C53 C54 C55 C56 -1.3(9) . . . . ?
C54 C55 C56 C57 1.2(8) . . . . ?
C55 C56 C57 C52 0.0(8) . . . . ?
C57 C52 C53 C54 1.0(8) . . . . ?
C58 P3 C2 C1 113.1(4) . . . . ?
C58 P3 C2 C3 -69.0(4) . . . . ?
C58 P3 C46 C47 -10.8(5) . . . . ?
C58 P3 C46 C51 168.7(4) . . . . ?
C58 P3 C52 C53 -35.3(4) . . . . ?
C58 P3 C52 C57 145.7(4) . . . . ?
C58 C59 C60 C61 -1.1(8) . . . . ?
C59 C58 C63 C62 2.5(7) . . . . ?
C59 C60 C61 C62 1.6(8) . . . . ?
C60 C61 C62 C63 -0.1(8) . . . . ?
C61 C62 C63 C58 -2.0(8) . . . . ?
C63 C58 C59 C60 -1.0(7) . . . . ?
C64 P4 C8 C7 -177.4(4) . . . . ?
C64 P4 C8 C9 6.8(4) . . . . ?
C64 C65 C66 C67 0.5(10) . . . . ?
C65 C64 C69 C68 0.3(9) . . . . ?
C65 C66 C67 C68 -0.1(11) . . . . ?
C66 C67 C68 C69 -0.2(11) . . . . ?
C67 C68 C69 C64 0.0(10) . . . . ?
C69 C64 C65 C66 -0.6(9) . . . . ?
C70 P4 C8 C7 63.6(5) . . . . ?
C70 P4 C8 C9 -112.1(4) . . . . ?
C70 P4 C64 C65 -150.3(4) . . . . ?
C70 P4 C64 C69 33.5(5) . . . . ?
C71 P4 C8 C7 -56.7(4) . . . . ?
C71 P4 C8 C9 127.5(4) . . . . ?
C71 P4 C64 C65 -31.8(5) . . . . ?
C71 P4 C64 C69 152.0(4) . . . . ?
C72 C73 C74 C75 2.9(8) . . . . ?
C73 C72 C77 C76 -2.6(10) . . . . ?
C73 C72 B1 C78 156.2(4) . . . . ?
C73 C72 B1 C84 -81.2(5) . . . . ?
C73 C72 B1 C90 37.2(6) . . . . ?
C73 C74 C75 C76 -3.4(9) . . . . ?
C74 C75 C76 C77 0.9(10) . . . . ?
C75 C76 C77 C72 2.2(12) . . . . ?
C77 C72 C73 C74 0.0(8) . . . . ?
C77 C72 B1 C78 -26.5(7) . . . . ?
C77 C72 B1 C84 96.1(6) . . . . ?
C77 C72 B1 C90 -145.5(6) . . . . ?
C78 C79 C80 C81 -0.2(11) . . . . ?
C79 C78 C83 C82 -0.3(7) . . . . ?
C79 C78 B1 C72 -40.1(7) . . . . ?
C79 C78 B1 C84 -161.8(5) . . . . ?
C79 C78 B1 C90 78.2(6) . . . . ?
C79 C80 C81 C82 0.8(10) . . . . ?
C80 C81 C82 C83 -1.1(9) . . . . ?
C81 C82 C83 C78 0.9(8) . . . . ?
C83 C78 C79 C80 0.0(9) . . . . ?
C83 C78 B1 C72 146.2(5) . . . . ?
C83 C78 B1 C84 24.5(6) . . . . ?
C83 C78 B1 C90 -95.5(6) . . . . ?
C84 C85 C86 C87 1.0(7) . . . . ?
C85 C84 C89 C88 -1.3(7) . . . . ?
C85 C84 B1 C72 -10.4(6) . . . . ?
C85 C84 B1 C78 112.7(5) . . . . ?
C85 C84 B1 C90 -127.6(4) . . . . ?
C85 C86 C87 C88 -1.0(8) . . . . ?
C86 C87 C88 C89 -0.2(8) . . . . ?
C87 C88 C89 C84 1.4(8) . . . . ?
C89 C84 C85 C86 0.1(7) . . . . ?
C89 C84 B1 C72 169.1(4) . . . . ?
C89 C84 B1 C78 -67.8(6) . . . . ?
C89 C84 B1 C90 51.9(6) . . . . ?
C90 C91 C92 C93 0.8(7) . . . . ?
C91 C90 C95 C94 1.1(7) . . . . ?
C91 C90 B1 C72 73.0(5) . . . . ?
C91 C90 B1 C78 -47.9(6) . . . . ?
C91 C90 B1 C84 -168.7(4) . . . . ?
C91 C92 C93 C94 -0.5(7) . . . . ?
C92 C93 C94 C95 0.6(7) . . . . ?
C93 C94 C95 C90 -1.0(8) . . . . ?
C95 C90 C91 C92 -1.0(7) . . . . ?
C95 C90 B1 C72 -103.2(5) . . . . ?
C95 C90 B1 C78 136.0(5) . . . . ?
C95 C90 B1 C84 15.2(6) . . . . ?
B1 C72 C73 C74 177.6(5) . . . . ?
B1 C72 C77 C76 -180.0(6) . . . . ?
B1 C78 C79 C80 -174.3(6) . . . . ?
B1 C78 C83 C82 173.7(5) . . . . ?
B1 C84 C85 C86 179.6(4) . . . . ?
B1 C84 C89 C88 179.2(4) . . . . ?
B1 C90 C91 C92 -177.5(4) . . . . ?
B1 C90 C95 C94 177.5(5) . . . . ?
C96 C97 C98 C99 1.1(10) . . . . ?
C97 C96 C101 C100 0.6(8) . . . . ?
C97 C96 B2 C102 145.8(5) . . . . ?
C97 C96 B2 C108 29.0(7) . . . . ?
C97 C96 B2 C114 -91.5(6) . . . . ?
C97 C98 C99 C100 -2.0(10) . . . . ?
C98 C99 C100 C101 2.2(9) . . . . ?
C99 C100 C101 C96 -1.5(9) . . . . ?
C101 C96 C97 C98 -0.5(8) . . . . ?
C101 C96 B2 C102 -40.3(7) . . . . ?
C101 C96 B2 C108 -157.1(5) . . . . ?
C101 C96 B2 C114 82.4(5) . . . . ?
C102 C103 C104 C105 1.3(9) . . . . ?
C103 C102 C107 C106 -3.1(8) . . . . ?
C103 C102 B2 C96 152.6(5) . . . . ?
C103 C102 B2 C108 -87.6(6) . . . . ?
C103 C102 B2 C114 36.1(7) . . . . ?
C103 C104 C105 C106 -2.4(10) . . . . ?
C104 C105 C106 C107 0.7(9) . . . . ?
C105 C106 C107 C102 2.2(9) . . . . ?
C107 C102 C103 C104 1.4(8) . . . . ?
C107 C102 B2 C96 -33.8(7) . . . . ?
C107 C102 B2 C108 86.1(6) . . . . ?
C107 C102 B2 C114 -150.2(5) . . . . ?
C108 C109 C110 C111 0.6(10) . . . . ?
C109 C108 C113 C112 -2.8(8) . . . . ?
C109 C108 B2 C96 50.2(7) . . . . ?
C109 C108 B2 C102 -70.6(6) . . . . ?
C109 C108 B2 C114 164.9(5) . . . . ?
C109 C110 C111 C112 -2.1(10) . . . . ?
C110 C111 C112 C113 1.1(9) . . . . ?
C111 C112 C113 C108 1.5(9) . . . . ?
C113 C108 C109 C110 1.8(9) . . . . ?
C113 C108 B2 C96 -132.0(5) . . . . ?
C113 C108 B2 C102 107.1(6) . . . . ?
C113 C108 B2 C114 -17.4(7) . . . . ?
C114 C115 C116 C117 0.0 . . . . ?
C115 C114 C119 C118 0.0 . . . . ?
C115 C114 B2 C96 78.1(4) . . . . ?
C115 C114 B2 C102 -160.4(4) . . . . ?
C115 C114 B2 C108 -40.8(5) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 C118 C119 C114 0.0 . . . . ?
C119 C114 C115 C116 0.0 . . . . ?
C119 C114 B2 C96 -98.0(4) . . . . ?
C119 C114 B2 C102 23.5(6) . . . . ?
C119 C114 B2 C108 143.1(4) . . . . ?
B2 C96 C97 C98 173.8(6) . . . . ?
B2 C96 C101 C100 -173.8(5) . . . . ?
B2 C102 C103 C104 175.5(5) . . . . ?
B2 C102 C107 C106 -177.3(5) . . . . ?
B2 C108 C109 C110 179.7(6) . . . . ?
B2 C108 C113 C112 179.3(5) . . . . ?
B2 C114 C115 C116 -176.1(4) . . . . ?
B2 C114 C119 C118 176.0(4) . . . . ?

_smtbx_masks_special_details     ?
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 -0.972 -0.609 1784.0 518.0 ?
2 0.500 0.000 0.000 17.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
