# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 2053993'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-07 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        S
_chemical_formula_moiety         'C64 H51 Cl O Os P3, 1(Cl1)'
_chemical_formula_sum            'C64 H51 Cl2 O Os P3'
_chemical_formula_weight         1190.06
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C276 H248 Cl12 O20 Os4 P4 '
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'
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      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                   12.9793(3)
_cell_length_b                   32.8708(5)
_cell_length_c                   14.4140(3)
_cell_angle_alpha                90
_cell_angle_beta                 104.590(2)
_cell_angle_gamma                90
_cell_volume                     5951.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13625
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      76.5200
_cell_measurement_theta_min      3.4160
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.929
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52091
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.21a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.1
_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  0.0498
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            40288
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.019
_diffrn_reflns_theta_min         3.442
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      3.00  29.00   0.50    1.50    --   46.87 -44.00  37.00   52
  2  ω     37.00  98.00   0.50    4.50    --  110.00 -44.00  37.00  122
  3  ω     94.00 177.00   0.50    4.50    --  110.00  15.00 -30.00  166
  4  ω    140.00 174.00   0.50    4.50    --  110.00  61.00  30.00   68
  5  ω    145.00 178.00   0.50    4.50    --  110.00  45.00 -60.00   66
  6  ω    106.00 150.00   0.50    4.50    --  110.00  44.00-172.00   88
  7  ω     97.00 122.00   0.50    4.50    --  110.00  45.00 -60.00   50
  8  ω     93.00 136.00   0.50    4.50    --  110.00  61.00  30.00   86
  9  ω     46.00 125.00   0.50    4.50    --  110.00 -61.00 -90.00  158
 10  ω     60.00 127.00   0.50    4.50    --  110.00 -15.00-180.00  134
 11  ω     67.00 102.00   0.50    1.50    --   46.87  44.00-172.00   70
 12  ω     57.00  83.00   0.50    4.50    --  110.00 -94.00 -90.00   52
 13  ω     41.00 117.00   0.50    4.50    --  110.00-125.00 -90.00  152
 14  ω     31.00  93.00   0.50    1.50    --   46.87-125.00 -60.00  124
 15  ω    -60.00  22.00   0.50    1.50    --  -46.87  44.00-172.00  164
 16  ω    -68.00 -16.00   0.50    4.50    --  -88.50 125.00-150.00  104
 17  ω   -104.00 -58.00   0.50    4.50    --  -88.50  44.00-172.00   92
 18  ω   -119.00 -33.00   0.50    1.50    --  -46.87 -44.00  37.00  172
 19  ω   -102.00 -73.00   0.50    4.50    --  -88.50 -44.00  37.00   58
 20  ω   -117.00 -80.00   0.50    1.50    --  -46.87-125.00-180.00   74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0221129000
_diffrn_orient_matrix_UB_12      0.0098925000
_diffrn_orient_matrix_UB_13      0.0976526000
_diffrn_orient_matrix_UB_21      0.1002471000
_diffrn_orient_matrix_UB_22      -0.0239553000
_diffrn_orient_matrix_UB_23      0.0511030000
_diffrn_orient_matrix_UB_31      0.0671734000
_diffrn_orient_matrix_UB_32      0.0390467000
_diffrn_orient_matrix_UB_33      0.0067025000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10261
_reflns_number_total             12157
_reflns_odcompleteness_completeness 99.43
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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       'CrysAlisPro 1.171.40.21a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.21a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.21a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.921
_refine_diff_density_min         -1.007
_refine_diff_density_rms         0.138
_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     681
_refine_ls_number_reflns         12157
_refine_ls_number_restraints     58
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0567
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0773P)²+25.9237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1469
_refine_ls_wR_factor_ref         0.1591
_refine_special_details          SQUEEZE
_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 O(H) groups
2. Restrained distances
 C9-C10
 1.2 with sigma of 0.02
 C8-C9
 1.46 with sigma of 0.02
 C8-C10
 2.66 with sigma of 0.04
 C8-O1 \\sim O1-O2
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C8 \\sim C9 \\sim C10: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.02 within 2A
O1 \\sim O2 \\sim C8: within 2A with sigma of 0.01 and sigma for terminal atoms
of 0.02 within 2A
C9 \\sim C10 \\sim C8: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01 within 2A
Uanis(Cl5) \\sim Ueq, Uanis(Cl4) \\sim Ueq, Uanis(Cl3) \\sim Ueq, Uanis(Cl2)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 Cl5, Cl2, Cl3, Cl4
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.01
 O1, O2
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 1*[Sof(Cl3)]+1*[Sof(Cl2)]+1*[Sof(Cl5)]+1*[Sof(Cl4)]=1 with esd of 0.0001
 Fixed Sof: H8A(0.5) H8B(0.5) O1(0.5) H1(0.5) O2(0.5) H2(0.5)
6.a Ternary CH refined with riding coordinates:
 C8(H8A), C8(H8B)
6.b Aromatic/amide H refined with riding coordinates:
 C42P(H42P), C24P(H24P), C8P(H8P), C3(H3), C20P(H20P), C6P(H6P), C12P(H12P),
 C14P(H14P), C9P(H9P), C54P(H54P), C4P(H4P), C36P(H36P), C23P(H23P), C41P(H41P),
  C18P(H18P), C44P(H44P), C48P(H48P), C7(H7), C21P(H21P), C11P(H11P), C5P(H5P),
 C2P(H2P), C35P(H35P), C3P(H3P), C47P(H47P), C5(H5), C10P(H10P), C22P(H22P),
 C39P(H39P), C52P(H52P), C40P(H40P), C17P(H17P), C38P(H38P), C50P(H50P),
 C53P(H53P), C46P(H46P), C32P(H32P), C16P(H16P), C15P(H15P), C26P(H26P),
 C45P(H45P), C33P(H33P), C51P(H51P), C34P(H34P), C30P(H30P), C28P(H28P),
 C27P(H27P), C29P(H29P)
6.c Tetrahedral OH refined with riding coordinates:
 O1(H1)
6.d Idealised tetrahedral OH refined as rotating group:
 O2(H2)
6.e :
 C10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.85143(2) 0.64985(2) 0.30272(2) 0.03434(10) Uani 1 1 d . . . . .
Cl1 Cl 1.03279(12) 0.67194(5) 0.31130(11) 0.0461(3) Uani 1 1 d . . . . .
P1 P 0.79346(11) 0.71080(4) 0.21216(10) 0.0340(3) Uani 1 1 d . . . . .
P3 P 0.64647(12) 0.66680(5) 0.51995(10) 0.0368(3) Uani 1 1 d . . . . .
P2 P 0.92454(12) 0.58897(4) 0.38438(11) 0.0364(3) Uani 1 1 d . . . . .
C7P C 0.8681(4) 0.75671(18) 0.2570(4) 0.0358(12) Uani 1 1 d . . . . .
C13P C 0.6567(5) 0.72626(19) 0.2073(4) 0.0389(13) Uani 1 1 d . . . . .
C1 C 0.7955(4) 0.66482(16) 0.4038(4) 0.0334(11) Uani 1 1 d . . . . .
C4 C 0.6968(4) 0.62697(18) 0.2719(4) 0.0364(12) Uani 1 1 d . . . . .
C19P C 1.0373(5) 0.59693(17) 0.4884(4) 0.0374(12) Uani 1 1 d . . . . .
C31P C 0.8311(5) 0.55900(17) 0.4332(5) 0.0426(13) Uani 1 1 d . . . . .
C2 C 0.6930(4) 0.65549(17) 0.4179(4) 0.0346(12) Uani 1 1 d . . . . .
C37P C 0.5103(5) 0.65182(18) 0.4943(4) 0.0393(13) Uani 1 1 d . . . . .
C42P C 0.4304(5) 0.68057(19) 0.4658(4) 0.0403(13) Uani 1 1 d . . . . .
H42P H 0.447660 0.707993 0.464723 0.048 Uiso 1 1 calc R U . . .
C24P C 1.0544(5) 0.63471(18) 0.5325(4) 0.0402(13) Uani 1 1 d . . . . .
H24P H 1.010259 0.656477 0.507699 0.048 Uiso 1 1 calc R U . . .
C1P C 0.7958(5) 0.70951(17) 0.0850(4) 0.0356(11) Uani 1 1 d . . . . .
C8P C 0.8774(5) 0.78805(18) 0.1950(5) 0.0407(13) Uani 1 1 d . . . . .
H8P H 0.852012 0.784246 0.129205 0.049 Uiso 1 1 calc R U . . .
C3 C 0.6356(5) 0.63387(19) 0.3373(4) 0.0392(12) Uani 1 1 d . . . . .
H3 H 0.565588 0.625234 0.328650 0.047 Uiso 1 1 calc R U . . .
C20P C 1.1040(5) 0.56469(18) 0.5257(5) 0.0433(14) Uani 1 1 d . . . . .
H20P H 1.092991 0.539286 0.496467 0.052 Uiso 1 1 calc R U . . .
C43P C 0.6577(5) 0.72002(19) 0.5468(4) 0.0397(13) Uani 1 1 d . . . . .
C49P C 0.7253(5) 0.64166(19) 0.6251(4) 0.0426(14) Uani 1 1 d . . . . .
C6P C 0.8876(5) 0.6937(2) 0.0631(4) 0.0419(13) Uani 1 1 d . . . . .
H6P H 0.943284 0.683555 0.111416 0.050 Uiso 1 1 calc R U . . .
C12P C 0.9081(5) 0.7632(2) 0.3548(4) 0.0434(13) Uani 1 1 d . . . . .
H12P H 0.905007 0.742209 0.397372 0.052 Uiso 1 1 calc R U . . .
C14P C 0.5728(5) 0.7013(2) 0.1610(5) 0.0459(14) Uani 1 1 d . . . . .
H14P H 0.587347 0.677516 0.131717 0.055 Uiso 1 1 calc R U . . .
C25P C 0.9793(6) 0.5532(2) 0.3118(5) 0.0501(15) Uani 1 1 d . . . . .
C9P C 0.9232(5) 0.8245(2) 0.2289(5) 0.0450(14) Uani 1 1 d . . . . .
H9P H 0.929580 0.845151 0.186527 0.054 Uiso 1 1 calc R U . . .
C54P C 0.8347(5) 0.64315(19) 0.6410(5) 0.0449(14) Uani 1 1 d . . . . .
H54P H 0.864834 0.655105 0.595605 0.054 Uiso 1 1 calc R U . . .
C4P C 0.8114(5) 0.7080(2) -0.1039(4) 0.0474(15) Uani 1 1 d . . . . .
H4P H 0.815706 0.706990 -0.167296 0.057 Uiso 1 1 calc R U . . .
C36P C 0.8448(6) 0.55506(18) 0.5316(5) 0.0464(15) Uani 1 1 d . . . . .
H36P H 0.905844 0.565281 0.573566 0.056 Uiso 1 1 calc R U . . .
C23P C 1.1373(5) 0.6400(2) 0.6134(5) 0.0466(14) Uani 1 1 d . . . . .
H23P H 1.148649 0.665377 0.642603 0.056 Uiso 1 1 calc R U . . .
C41P C 0.3244(5) 0.6684(2) 0.4388(5) 0.0467(14) Uani 1 1 d . . . . .
H41P H 0.270810 0.687573 0.418753 0.056 Uiso 1 1 calc R U . . .
C18P C 0.6343(5) 0.76202(19) 0.2494(4) 0.0421(13) Uani 1 1 d . . . . .
H18P H 0.689413 0.779304 0.279346 0.051 Uiso 1 1 calc R U . . .
C44P C 0.6883(5) 0.74745(19) 0.4858(4) 0.0423(13) Uani 1 1 d . . . . .
H44P H 0.701759 0.738589 0.428755 0.051 Uiso 1 1 calc R U . . .
C48P C 0.6403(5) 0.7330(2) 0.6337(5) 0.0450(14) Uani 1 1 d . . . . .
H48P H 0.622040 0.714310 0.675326 0.054 Uiso 1 1 calc R U . . .
C7 C 0.8310(6) 0.6182(2) 0.1774(5) 0.0471(15) Uani 1 1 d . . . . .
H7 H 0.887144 0.616516 0.148273 0.057 Uiso 1 1 calc R U . . .
C21P C 1.1873(5) 0.5704(2) 0.6067(6) 0.0519(16) Uani 1 1 d . . . . .
H21P H 1.232427 0.548807 0.631007 0.062 Uiso 1 1 calc R U . . .
C11P C 0.9518(6) 0.7994(2) 0.3896(5) 0.0521(16) Uani 1 1 d . . . . .
H11P H 0.976042 0.803368 0.455392 0.063 Uiso 1 1 calc R U . . .
C5P C 0.8942(6) 0.6935(2) -0.0318(5) 0.0510(16) Uani 1 1 d . . . . .
H5P H 0.955029 0.683455 -0.046659 0.061 Uiso 1 1 calc R U . . .
C2P C 0.7159(5) 0.72510(19) 0.0136(4) 0.0410(13) Uani 1 1 d . . . . .
H2P H 0.656630 0.736584 0.028566 0.049 Uiso 1 1 calc R U . . .
C35P C 0.7675(7) 0.5359(2) 0.5673(6) 0.0596(19) Uani 1 1 d . . . . .
H35P H 0.777092 0.533472 0.633238 0.072 Uiso 1 1 calc R U . . .
C3P C 0.7221(6) 0.7240(2) -0.0818(5) 0.0502(15) Uani 1 1 d . . . . .
H3P H 0.666335 0.734058 -0.130197 0.060 Uiso 1 1 calc R U . . .
C6 C 0.7376(7) 0.5996(2) 0.1358(5) 0.0554(17) Uani 1 1 d . . . . .
C47P C 0.6505(5) 0.7739(2) 0.6574(5) 0.0548(18) Uani 1 1 d . . . . .
H47P H 0.637339 0.782916 0.714463 0.066 Uiso 1 1 calc R U . . .
C5 C 0.6617(6) 0.6050(2) 0.1877(5) 0.0525(16) Uani 1 1 d . . . . .
H5 H 0.592946 0.594750 0.167508 0.063 Uiso 1 1 calc R U . . .
C10P C 0.9599(6) 0.8303(2) 0.3271(6) 0.0545(17) Uani 1 1 d . . . . .
H10P H 0.990069 0.855104 0.350758 0.065 Uiso 1 1 calc R U . . .
C22P C 1.2036(6) 0.6078(2) 0.6512(5) 0.0515(16) Uani 1 1 d . . . . .
H22P H 1.258513 0.611398 0.706167 0.062 Uiso 1 1 calc R U . . .
C39P C 0.3782(6) 0.5992(2) 0.4705(7) 0.060(2) Uani 1 1 d . . . . .
H39P H 0.360220 0.571902 0.472728 0.072 Uiso 1 1 calc R U . . .
C52P C 0.8544(7) 0.6093(2) 0.7921(5) 0.060(2) Uani 1 1 d . . . . .
H52P H 0.897597 0.598187 0.847721 0.072 Uiso 1 1 calc R U . . .
C40P C 0.2993(6) 0.6280(2) 0.4419(6) 0.0534(16) Uani 1 1 d . . . . .
H40P H 0.228338 0.619969 0.424594 0.064 Uiso 1 1 calc R U . . .
C17P C 0.5291(6) 0.7721(2) 0.2467(5) 0.0528(16) Uani 1 1 d . . . . .
H17P H 0.514301 0.795772 0.276094 0.063 Uiso 1 1 calc R U . . .
C38P C 0.4844(6) 0.6109(2) 0.4960(6) 0.0570(18) Uani 1 1 d . . . . .
H38P H 0.537799 0.591474 0.514125 0.068 Uiso 1 1 calc R U . . .
C50P C 0.6798(7) 0.6239(3) 0.6929(5) 0.061(2) Uani 1 1 d . . . . .
H50P H 0.606218 0.622497 0.682255 0.074 Uiso 1 1 calc R U . . .
C53P C 0.9002(6) 0.6270(2) 0.7240(5) 0.0524(16) Uani 1 1 d . . . . .
H53P H 0.973778 0.628012 0.734187 0.063 Uiso 1 1 calc R U . . .
C46P C 0.6805(6) 0.8012(2) 0.5960(6) 0.0569(18) Uani 1 1 d . . . . .
H46P H 0.688273 0.828585 0.612478 0.068 Uiso 1 1 calc R U . . .
C32P C 0.7405(6) 0.5426(2) 0.3722(6) 0.0601(19) Uani 1 1 d . . . . .
H32P H 0.730617 0.544658 0.306189 0.072 Uiso 1 1 calc R U . . .
C16P C 0.4469(6) 0.7470(3) 0.2005(5) 0.0579(18) Uani 1 1 d . . . . .
H16P H 0.376963 0.754142 0.198267 0.069 Uiso 1 1 calc R U . . .
C15P C 0.4673(5) 0.7113(2) 0.1575(5) 0.0536(17) Uani 1 1 d . . . . .
H15P H 0.411925 0.694220 0.126972 0.064 Uiso 1 1 calc R U . . .
C26P C 0.9473(7) 0.5131(2) 0.2985(5) 0.062(2) Uani 1 1 d . . . . .
H26P H 0.895322 0.503138 0.326714 0.074 Uiso 1 1 calc R U . . .
C45P C 0.6987(6) 0.7883(2) 0.5108(5) 0.0534(16) Uani 1 1 d . . . . .
H45P H 0.718114 0.806947 0.469786 0.064 Uiso 1 1 calc R U . . .
C33P C 0.6646(6) 0.5231(2) 0.4087(8) 0.068(2) Uani 1 1 d . . . . .
H33P H 0.604796 0.511681 0.367407 0.082 Uiso 1 1 calc R U . . .
C51P C 0.7459(7) 0.6084(3) 0.7769(5) 0.069(2) Uani 1 1 d . . . . .
H51P H 0.715916 0.597198 0.823264 0.083 Uiso 1 1 calc R U . . .
C34P C 0.6780(7) 0.5206(2) 0.5070(8) 0.068(2) Uani 1 1 d . . . . .
H34P H 0.625850 0.508574 0.531711 0.081 Uiso 1 1 calc R U . . .
C30P C 1.0583(7) 0.5672(2) 0.2710(6) 0.067(2) Uani 1 1 d . . . . .
H30P H 1.079437 0.594270 0.279210 0.080 Uiso 1 1 calc R U . . .
C28P C 1.0735(10) 0.5017(3) 0.2047(7) 0.091(3) Uani 1 1 d . . . . .
H28P H 1.105695 0.484129 0.169845 0.109 Uiso 1 1 calc R U . . .
C27P C 0.9930(10) 0.4876(3) 0.2429(7) 0.082(3) Uani 1 1 d . . . . .
H27P H 0.969107 0.460981 0.231407 0.099 Uiso 1 1 calc R U . . .
C29P C 1.1066(8) 0.5415(3) 0.2179(7) 0.079(3) Uani 1 1 d . . . . .
H29P H 1.160453 0.551077 0.191605 0.095 Uiso 1 1 calc R U . . .
C8 C 0.7145(10) 0.5752(4) 0.0420(7) 0.103(3) Uani 1 1 d D U . . .
H8A H 0.676570 0.550580 0.052489 0.124 Uiso 0.5 1 calc R U P A 1
H8B H 0.706268 0.549617 0.074122 0.124 Uiso 0.5 1 calc R U P B 2
C9 C 0.8106(10) 0.5624(4) 0.0208(7) 0.107(3) Uani 1 1 d D U . . .
C10 C 0.8970(12) 0.5536(5) 0.0080(9) 0.129(4) Uani 1 1 d D U . . .
H10 H 0.963039 0.546946 -0.001846 0.155 Uiso 1 1 calc R U . . .
O1 O 0.6456(14) 0.5972(5) -0.0296(8) 0.087(4) Uani 0.5 1 d . U P C 1
H1 H 0.615333 0.581708 -0.072423 0.130 Uiso 0.5 1 calc R U P C 1
Cl2 Cl 0.5213(5) 0.43954(14) 0.2600(5) 0.0687(15) Uani 0.374(3) 1 d . U P D 2
O2 O 0.614(2) 0.5761(8) -0.0059(17) 0.150(7) Uani 0.5 1 d . U P C 2
H2 H 0.590509 0.552774 -0.013460 0.225 Uiso 0.5 1 calc R U P C 2
Cl3 Cl 0.5352(11) 0.4390(4) 0.1921(11) 0.084(4) Uani 0.196(3) 1 d . U P E 1
Cl4 Cl 0.6701(10) 0.4777(3) 0.1672(8) 0.063(3) Uani 0.169(3) 1 d . U P F 4
Cl5 Cl 0.5038(12) 0.5092(3) 0.1340(8) 0.111(4) Uani 0.261(3) 1 d . U P G 3


_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 2.4365(15) . ?
Os1 P1 2.4058(14) . ?
Os1 P2 2.3934(15) . ?
Os1 C1 1.850(6) . ?
Os1 C4 2.083(6) . ?
Os1 C7 2.043(6) . ?
P1 C7P 1.822(6) . ?
P1 C13P 1.831(6) . ?
P1 C1P 1.842(6) . ?
P3 C2 1.765(5) . ?
P3 C37P 1.781(6) . ?
P3 C43P 1.790(7) . ?
P3 C49P 1.801(6) . ?
P2 C19P 1.831(6) . ?
P2 C31P 1.834(6) . ?
P2 C25P 1.833(7) . ?
C7P C8P 1.389(8) . ?
C7P C12P 1.390(8) . ?
C13P C14P 1.392(9) . ?
C13P C18P 1.386(9) . ?
C1 C2 1.428(8) . ?
C4 C3 1.396(8) . ?
C4 C5 1.387(9) . ?
C19P C24P 1.387(8) . ?
C19P C20P 1.388(8) . ?
C31P C36P 1.391(9) . ?
C31P C32P 1.388(10) . ?
C2 C3 1.404(9) . ?
C37P C42P 1.387(8) . ?
C37P C38P 1.388(9) . ?
C42P H42P 0.9300 . ?
C42P C41P 1.391(9) . ?
C24P H24P 0.9300 . ?
C24P C23P 1.383(9) . ?
C1P C6P 1.407(8) . ?
C1P C2P 1.363(8) . ?
C8P H8P 0.9300 . ?
C8P C9P 1.373(9) . ?
C3 H3 0.9300 . ?
C20P H20P 0.9300 . ?
C20P C21P 1.389(10) . ?
C43P C44P 1.385(9) . ?
C43P C48P 1.394(8) . ?
C49P C54P 1.382(10) . ?
C49P C50P 1.390(9) . ?
C6P H6P 0.9300 . ?
C6P C5P 1.391(8) . ?
C12P H12P 0.9300 . ?
C12P C11P 1.360(9) . ?
C14P H14P 0.9300 . ?
C14P C15P 1.396(9) . ?
C25P C26P 1.381(10) . ?
C25P C30P 1.383(11) . ?
C9P H9P 0.9300 . ?
C9P C10P 1.388(10) . ?
C54P H54P 0.9300 . ?
C54P C53P 1.385(9) . ?
C4P H4P 0.9300 . ?
C4P C5P 1.378(10) . ?
C4P C3P 1.382(10) . ?
C36P H36P 0.9300 . ?
C36P C35P 1.389(9) . ?
C23P H23P 0.9300 . ?
C23P C22P 1.386(10) . ?
C41P H41P 0.9300 . ?
C41P C40P 1.369(10) . ?
C18P H18P 0.9300 . ?
C18P C17P 1.397(9) . ?
C44P H44P 0.9300 . ?
C44P C45P 1.387(9) . ?
C48P H48P 0.9300 . ?
C48P C47P 1.385(10) . ?
C7 H7 0.9300 . ?
C7 C6 1.355(10) . ?
C21P H21P 0.9300 . ?
C21P C22P 1.379(10) . ?
C11P H11P 0.9300 . ?
C11P C10P 1.380(10) . ?
C5P H5P 0.9300 . ?
C2P H2P 0.9300 . ?
C2P C3P 1.398(8) . ?
C35P H35P 0.9300 . ?
C35P C34P 1.359(12) . ?
C3P H3P 0.9300 . ?
C6 C5 1.390(10) . ?
C6 C8 1.535(11) . ?
C47P H47P 0.9300 . ?
C47P C46P 1.384(11) . ?
C5 H5 0.9300 . ?
C10P H10P 0.9300 . ?
C22P H22P 0.9300 . ?
C39P H39P 0.9300 . ?
C39P C40P 1.380(10) . ?
C39P C38P 1.389(11) . ?
C52P H52P 0.9300 . ?
C52P C53P 1.395(11) . ?
C52P C51P 1.371(12) . ?
C40P H40P 0.9300 . ?
C17P H17P 0.9300 . ?
C17P C16P 1.379(11) . ?
C38P H38P 0.9300 . ?
C50P H50P 0.9300 . ?
C50P C51P 1.393(10) . ?
C53P H53P 0.9300 . ?
C46P H46P 0.9300 . ?
C46P C45P 1.375(10) . ?
C32P H32P 0.9300 . ?
C32P C33P 1.385(11) . ?
C16P H16P 0.9300 . ?
C16P C15P 1.384(11) . ?
C15P H15P 0.9300 . ?
C26P H26P 0.9300 . ?
C26P C27P 1.392(11) . ?
C45P H45P 0.9300 . ?
C33P H33P 0.9300 . ?
C33P C34P 1.385(13) . ?
C51P H51P 0.9300 . ?
C34P H34P 0.9300 . ?
C30P H30P 0.9300 . ?
C30P C29P 1.392(10) . ?
C28P H28P 0.9300 . ?
C28P C27P 1.377(15) . ?
C28P C29P 1.375(15) . ?
C27P H27P 0.9300 . ?
C29P H29P 0.9300 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 C9 1.421(13) . ?
C8 O1 1.387(19) . ?
C8 O2 1.32(3) . ?
C9 C10 1.216(13) . ?
C10 H10 0.9300 . ?
O1 H1 0.8200 . ?
O2 H2 0.8200 . ?

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 86.88(5) . . ?
P2 Os1 Cl1 88.05(5) . . ?
P2 Os1 P1 173.79(5) . . ?
C1 Os1 Cl1 116.53(18) . . ?
C1 Os1 P1 94.28(16) . . ?
C1 Os1 P2 91.19(16) . . ?
C1 Os1 C4 73.5(2) . . ?
C1 Os1 C7 147.4(3) . . ?
C4 Os1 Cl1 169.96(16) . . ?
C4 Os1 P1 91.85(16) . . ?
C4 Os1 P2 92.53(17) . . ?
C7 Os1 Cl1 96.0(2) . . ?
C7 Os1 P1 89.49(19) . . ?
C7 Os1 P2 87.48(19) . . ?
C7 Os1 C4 74.0(3) . . ?
C7P P1 Os1 115.56(19) . . ?
C7P P1 C13P 102.0(3) . . ?
C7P P1 C1P 103.4(3) . . ?
C13P P1 Os1 114.80(19) . . ?
C13P P1 C1P 103.2(3) . . ?
C1P P1 Os1 116.08(19) . . ?
C2 P3 C37P 107.4(3) . . ?
C2 P3 C43P 111.1(3) . . ?
C2 P3 C49P 111.3(3) . . ?
C37P P3 C43P 109.7(3) . . ?
C37P P3 C49P 111.8(3) . . ?
C43P P3 C49P 105.6(3) . . ?
C19P P2 Os1 114.80(18) . . ?
C19P P2 C31P 103.4(3) . . ?
C19P P2 C25P 102.4(3) . . ?
C31P P2 Os1 114.8(2) . . ?
C25P P2 Os1 114.7(2) . . ?
C25P P2 C31P 105.3(3) . . ?
C8P C7P P1 120.7(5) . . ?
C8P C7P C12P 118.0(6) . . ?
C12P C7P P1 121.0(5) . . ?
C14P C13P P1 119.2(5) . . ?
C18P C13P P1 121.7(5) . . ?
C18P C13P C14P 119.0(6) . . ?
C2 C1 Os1 128.2(4) . . ?
C3 C4 Os1 118.6(4) . . ?
C5 C4 Os1 117.4(5) . . ?
C5 C4 C3 123.9(6) . . ?
C24P C19P P2 120.4(5) . . ?
C24P C19P C20P 119.6(6) . . ?
C20P C19P P2 120.0(5) . . ?
C36P C31P P2 120.9(5) . . ?
C32P C31P P2 120.2(5) . . ?
C32P C31P C36P 118.7(6) . . ?
C1 C2 P3 126.9(5) . . ?
C3 C2 P3 125.0(4) . . ?
C3 C2 C1 108.1(5) . . ?
C42P C37P P3 120.1(5) . . ?
C42P C37P C38P 119.9(6) . . ?
C38P C37P P3 119.7(5) . . ?
C37P C42P H42P 120.0 . . ?
C37P C42P C41P 120.0(6) . . ?
C41P C42P H42P 120.0 . . ?
C19P C24P H24P 120.0 . . ?
C23P C24P C19P 119.9(6) . . ?
C23P C24P H24P 120.0 . . ?
C6P C1P P1 117.3(4) . . ?
C2P C1P P1 122.8(4) . . ?
C2P C1P C6P 119.7(5) . . ?
C7P C8P H8P 119.4 . . ?
C9P C8P C7P 121.2(6) . . ?
C9P C8P H8P 119.4 . . ?
C4 C3 C2 111.5(5) . . ?
C4 C3 H3 124.2 . . ?
C2 C3 H3 124.2 . . ?
C19P C20P H20P 120.0 . . ?
C19P C20P C21P 120.0(6) . . ?
C21P C20P H20P 120.0 . . ?
C44P C43P P3 121.4(5) . . ?
C44P C43P C48P 120.5(6) . . ?
C48P C43P P3 118.0(5) . . ?
C54P C49P P3 117.8(5) . . ?
C54P C49P C50P 119.9(6) . . ?
C50P C49P P3 122.1(5) . . ?
C1P C6P H6P 120.4 . . ?
C5P C6P C1P 119.1(6) . . ?
C5P C6P H6P 120.4 . . ?
C7P C12P H12P 119.3 . . ?
C11P C12P C7P 121.5(6) . . ?
C11P C12P H12P 119.3 . . ?
C13P C14P H14P 119.3 . . ?
C13P C14P C15P 121.3(7) . . ?
C15P C14P H14P 119.3 . . ?
C26P C25P P2 123.0(6) . . ?
C26P C25P C30P 119.3(7) . . ?
C30P C25P P2 117.7(6) . . ?
C8P C9P H9P 120.3 . . ?
C8P C9P C10P 119.4(6) . . ?
C10P C9P H9P 120.3 . . ?
C49P C54P H54P 119.6 . . ?
C49P C54P C53P 120.7(7) . . ?
C53P C54P H54P 119.6 . . ?
C5P C4P H4P 120.1 . . ?
C5P C4P C3P 119.8(6) . . ?
C3P C4P H4P 120.1 . . ?
C31P C36P H36P 119.9 . . ?
C35P C36P C31P 120.1(7) . . ?
C35P C36P H36P 119.9 . . ?
C24P C23P H23P 119.7 . . ?
C24P C23P C22P 120.7(6) . . ?
C22P C23P H23P 119.7 . . ?
C42P C41P H41P 120.1 . . ?
C40P C41P C42P 119.8(6) . . ?
C40P C41P H41P 120.1 . . ?
C13P C18P H18P 120.0 . . ?
C13P C18P C17P 119.9(6) . . ?
C17P C18P H18P 120.0 . . ?
C43P C44P H44P 120.3 . . ?
C43P C44P C45P 119.4(6) . . ?
C45P C44P H44P 120.3 . . ?
C43P C48P H48P 120.3 . . ?
C47P C48P C43P 119.4(6) . . ?
C47P C48P H48P 120.3 . . ?
Os1 C7 H7 119.2 . . ?
C6 C7 Os1 121.6(5) . . ?
C6 C7 H7 119.2 . . ?
C20P C21P H21P 119.8 . . ?
C22P C21P C20P 120.4(6) . . ?
C22P C21P H21P 119.8 . . ?
C12P C11P H11P 120.1 . . ?
C12P C11P C10P 119.9(7) . . ?
C10P C11P H11P 120.1 . . ?
C6P C5P H5P 119.6 . . ?
C4P C5P C6P 120.7(6) . . ?
C4P C5P H5P 119.6 . . ?
C1P C2P H2P 119.6 . . ?
C1P C2P C3P 120.8(6) . . ?
C3P C2P H2P 119.6 . . ?
C36P C35P H35P 119.6 . . ?
C34P C35P C36P 120.7(8) . . ?
C34P C35P H35P 119.6 . . ?
C4P C3P C2P 119.7(6) . . ?
C4P C3P H3P 120.1 . . ?
C2P C3P H3P 120.1 . . ?
C7 C6 C5 112.4(6) . . ?
C7 C6 C8 125.4(8) . . ?
C5 C6 C8 122.2(8) . . ?
C48P C47P H47P 120.1 . . ?
C46P C47P C48P 119.8(6) . . ?
C46P C47P H47P 120.1 . . ?
C4 C5 C6 114.6(7) . . ?
C4 C5 H5 122.7 . . ?
C6 C5 H5 122.7 . . ?
C9P C10P H10P 120.0 . . ?
C11P C10P C9P 120.1(7) . . ?
C11P C10P H10P 120.0 . . ?
C23P C22P H22P 120.3 . . ?
C21P C22P C23P 119.4(7) . . ?
C21P C22P H22P 120.3 . . ?
C40P C39P H39P 119.9 . . ?
C40P C39P C38P 120.1(6) . . ?
C38P C39P H39P 119.9 . . ?
C53P C52P H52P 120.0 . . ?
C51P C52P H52P 120.0 . . ?
C51P C52P C53P 119.9(7) . . ?
C41P C40P C39P 120.6(6) . . ?
C41P C40P H40P 119.7 . . ?
C39P C40P H40P 119.7 . . ?
C18P C17P H17P 119.9 . . ?
C16P C17P C18P 120.3(7) . . ?
C16P C17P H17P 119.9 . . ?
C37P C38P C39P 119.5(6) . . ?
C37P C38P H38P 120.3 . . ?
C39P C38P H38P 120.3 . . ?
C49P C50P H50P 120.4 . . ?
C49P C50P C51P 119.2(7) . . ?
C51P C50P H50P 120.4 . . ?
C54P C53P C52P 119.3(7) . . ?
C54P C53P H53P 120.3 . . ?
C52P C53P H53P 120.3 . . ?
C47P C46P H46P 119.7 . . ?
C45P C46P C47P 120.6(7) . . ?
C45P C46P H46P 119.7 . . ?
C31P C32P H32P 119.7 . . ?
C33P C32P C31P 120.6(8) . . ?
C33P C32P H32P 119.7 . . ?
C17P C16P H16P 119.6 . . ?
C17P C16P C15P 120.7(6) . . ?
C15P C16P H16P 119.6 . . ?
C14P C15P H15P 120.7 . . ?
C16P C15P C14P 118.7(7) . . ?
C16P C15P H15P 120.7 . . ?
C25P C26P H26P 120.1 . . ?
C25P C26P C27P 119.8(9) . . ?
C27P C26P H26P 120.1 . . ?
C44P C45P H45P 119.9 . . ?
C46P C45P C44P 120.2(7) . . ?
C46P C45P H45P 119.9 . . ?
C32P C33P H33P 120.1 . . ?
C32P C33P C34P 119.8(8) . . ?
C34P C33P H33P 120.1 . . ?
C52P C51P C50P 120.9(7) . . ?
C52P C51P H51P 119.5 . . ?
C50P C51P H51P 119.5 . . ?
C35P C34P C33P 120.0(7) . . ?
C35P C34P H34P 120.0 . . ?
C33P C34P H34P 120.0 . . ?
C25P C30P H30P 119.4 . . ?
C25P C30P C29P 121.1(8) . . ?
C29P C30P H30P 119.4 . . ?
C27P C28P H28P 119.8 . . ?
C29P C28P H28P 119.8 . . ?
C29P C28P C27P 120.4(8) . . ?
C26P C27P H27P 119.8 . . ?
C28P C27P C26P 120.4(9) . . ?
C28P C27P H27P 119.8 . . ?
C30P C29P H29P 120.5 . . ?
C28P C29P C30P 119.1(9) . . ?
C28P C29P H29P 120.5 . . ?
C6 C8 H8A 106.9 . . ?
C6 C8 H8B 93.0 . . ?
C9 C8 C6 110.9(10) . . ?
C9 C8 H8A 106.9 . . ?
C9 C8 H8B 93.0 . . ?
O1 C8 C6 109.3(10) . . ?
O1 C8 H8A 106.9 . . ?
O1 C8 C9 115.6(11) . . ?
O2 C8 C6 113.5(14) . . ?
O2 C8 H8B 93.0 . . ?
O2 C8 C9 134.7(14) . . ?
C10 C9 C8 174.8(14) . . ?
C9 C10 H10 180.0 . . ?
C8 O1 H1 109.5 . . ?
C8 O2 H2 109.5 . . ?

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 C7P C8P 151.3(4) . . . . ?
Os1 P1 C7P C12P -35.2(5) . . . . ?
Os1 P1 C13P C14P -65.0(5) . . . . ?
Os1 P1 C13P C18P 114.4(5) . . . . ?
Os1 P1 C1P C6P -46.0(5) . . . . ?
Os1 P1 C1P C2P 137.7(5) . . . . ?
Os1 P2 C19P C24P 19.6(5) . . . . ?
Os1 P2 C19P C20P -162.6(4) . . . . ?
Os1 P2 C31P C36P -112.4(5) . . . . ?
Os1 P2 C31P C32P 62.3(6) . . . . ?
Os1 P2 C25P C26P -124.7(6) . . . . ?
Os1 P2 C25P C30P 57.0(7) . . . . ?
Os1 C1 C2 P3 174.4(3) . . . . ?
Os1 C1 C2 C3 -3.1(7) . . . . ?
Os1 C4 C3 C2 -1.3(7) . . . . ?
Os1 C4 C5 C6 2.7(8) . . . . ?
Os1 C7 C6 C5 0.2(9) . . . . ?
Os1 C7 C6 C8 180.0(7) . . . . ?
Cl1 Os1 C1 C2 -178.8(4) . . . . ?
P1 Os1 C1 C2 92.6(5) . . . . ?
P1 C7P C8P C9P 172.8(5) . . . . ?
P1 C7P C12P C11P -171.3(5) . . . . ?
P1 C13P C14P C15P 178.3(5) . . . . ?
P1 C13P C18P C17P -178.0(5) . . . . ?
P1 C1P C6P C5P -177.8(5) . . . . ?
P1 C1P C2P C3P 178.9(5) . . . . ?
P3 C2 C3 C4 -175.2(4) . . . . ?
P3 C37P C42P C41P 175.1(5) . . . . ?
P3 C37P C38P C39P -176.3(6) . . . . ?
P3 C43P C44P C45P -178.3(5) . . . . ?
P3 C43P C48P C47P 178.7(5) . . . . ?
P3 C49P C54P C53P 175.3(5) . . . . ?
P3 C49P C50P C51P -174.0(6) . . . . ?
P2 Os1 C1 C2 -90.4(5) . . . . ?
P2 C19P C24P C23P 177.4(5) . . . . ?
P2 C19P C20P C21P -177.7(5) . . . . ?
P2 C31P C36P C35P 173.3(5) . . . . ?
P2 C31P C32P C33P -174.1(6) . . . . ?
P2 C25P C26P C27P -179.6(7) . . . . ?
P2 C25P C30P C29P 177.6(7) . . . . ?
C7P P1 C13P C14P 169.3(5) . . . . ?
C7P P1 C13P C18P -11.3(5) . . . . ?
C7P P1 C1P C6P 81.6(5) . . . . ?
C7P P1 C1P C2P -94.7(5) . . . . ?
C7P C8P C9P C10P -0.7(9) . . . . ?
C7P C12P C11P C10P -2.0(11) . . . . ?
C13P P1 C7P C8P -83.4(5) . . . . ?
C13P P1 C7P C12P 90.0(5) . . . . ?
C13P P1 C1P C6P -172.4(5) . . . . ?
C13P P1 C1P C2P 11.3(6) . . . . ?
C13P C14P C15P C16P 0.7(10) . . . . ?
C13P C18P C17P C16P -1.4(10) . . . . ?
C1 C2 C3 C4 2.4(7) . . . . ?
C4 Os1 C1 C2 1.9(5) . . . . ?
C19P P2 C31P C36P 13.4(6) . . . . ?
C19P P2 C31P C32P -171.9(5) . . . . ?
C19P P2 C25P C26P 110.3(7) . . . . ?
C19P P2 C25P C30P -68.0(7) . . . . ?
C19P C24P C23P C22P -0.2(10) . . . . ?
C19P C20P C21P C22P 0.8(10) . . . . ?
C31P P2 C19P C24P -106.1(5) . . . . ?
C31P P2 C19P C20P 71.6(5) . . . . ?
C31P P2 C25P C26P 2.4(7) . . . . ?
C31P P2 C25P C30P -175.8(6) . . . . ?
C31P C36P C35P C34P 0.3(10) . . . . ?
C31P C32P C33P C34P 1.3(12) . . . . ?
C2 P3 C37P C42P -99.4(5) . . . . ?
C2 P3 C37P C38P 75.9(6) . . . . ?
C2 P3 C43P C44P 6.6(6) . . . . ?
C2 P3 C43P C48P -170.0(5) . . . . ?
C2 P3 C49P C54P 45.6(6) . . . . ?
C2 P3 C49P C50P -139.4(6) . . . . ?
C37P P3 C2 C1 175.5(5) . . . . ?
C37P P3 C2 C3 -7.4(6) . . . . ?
C37P P3 C43P C44P -111.9(5) . . . . ?
C37P P3 C43P C48P 71.5(5) . . . . ?
C37P P3 C49P C54P 165.7(5) . . . . ?
C37P P3 C49P C50P -19.3(7) . . . . ?
C37P C42P C41P C40P 1.0(10) . . . . ?
C42P C37P C38P C39P -1.0(11) . . . . ?
C42P C41P C40P C39P -0.8(11) . . . . ?
C24P C19P C20P C21P 0.0(9) . . . . ?
C24P C23P C22P C21P 1.0(10) . . . . ?
C1P P1 C7P C8P 23.4(5) . . . . ?
C1P P1 C7P C12P -163.2(5) . . . . ?
C1P P1 C13P C14P 62.3(5) . . . . ?
C1P P1 C13P C18P -118.3(5) . . . . ?
C1P C6P C5P C4P -0.9(10) . . . . ?
C1P C2P C3P C4P -1.8(10) . . . . ?
C8P C7P C12P C11P 2.3(9) . . . . ?
C8P C9P C10P C11P 1.0(10) . . . . ?
C3 C4 C5 C6 -176.2(6) . . . . ?
C20P C19P C24P C23P -0.3(9) . . . . ?
C20P C21P C22P C23P -1.3(11) . . . . ?
C43P P3 C2 C1 55.5(6) . . . . ?
C43P P3 C2 C3 -127.4(5) . . . . ?
C43P P3 C37P C42P 21.4(6) . . . . ?
C43P P3 C37P C38P -163.3(5) . . . . ?
C43P P3 C49P C54P -75.0(5) . . . . ?
C43P P3 C49P C50P 99.9(6) . . . . ?
C43P C44P C45P C46P 1.0(10) . . . . ?
C43P C48P C47P C46P -1.6(10) . . . . ?
C49P P3 C2 C1 -61.9(6) . . . . ?
C49P P3 C2 C3 115.2(5) . . . . ?
C49P P3 C37P C42P 138.2(5) . . . . ?
C49P P3 C37P C38P -46.5(6) . . . . ?
C49P P3 C43P C44P 127.4(5) . . . . ?
C49P P3 C43P C48P -49.2(5) . . . . ?
C49P C54P C53P C52P -0.3(10) . . . . ?
C49P C50P C51P C52P -1.8(13) . . . . ?
C6P C1P C2P C3P 2.7(9) . . . . ?
C12P C7P C8P C9P -0.9(9) . . . . ?
C12P C11P C10P C9P 0.3(11) . . . . ?
C14P C13P C18P C17P 1.4(9) . . . . ?
C25P P2 C19P C24P 144.6(5) . . . . ?
C25P P2 C19P C20P -37.6(5) . . . . ?
C25P P2 C31P C36P 120.4(5) . . . . ?
C25P P2 C31P C32P -64.8(6) . . . . ?
C25P C26P C27P C28P 3.1(15) . . . . ?
C25P C30P C29P C28P 1.1(15) . . . . ?
C54P C49P C50P C51P 0.9(12) . . . . ?
C36P C31P C32P C33P 0.8(10) . . . . ?
C36P C35P C34P C33P 1.9(11) . . . . ?
C18P C13P C14P C15P -1.1(9) . . . . ?
C18P C17P C16P C15P 1.0(11) . . . . ?
C44P C43P C48P C47P 2.1(9) . . . . ?
C48P C43P C44P C45P -1.8(9) . . . . ?
C48P C47P C46P C45P 0.9(11) . . . . ?
C7 Os1 C1 C2 -3.2(8) . . . . ?
C7 C6 C5 C4 -1.8(10) . . . . ?
C7 C6 C8 C9 20.3(15) . . . . ?
C7 C6 C8 O1 -108.3(12) . . . . ?
C7 C6 C8 O2 -150.7(17) . . . . ?
C5P C4P C3P C2P -0.5(11) . . . . ?
C2P C1P C6P C5P -1.4(9) . . . . ?
C3P C4P C5P C6P 1.9(11) . . . . ?
C47P C46P C45P C44P -0.6(11) . . . . ?
C5 C4 C3 C2 177.5(6) . . . . ?
C5 C6 C8 C9 -160.0(10) . . . . ?
C5 C6 C8 O1 71.5(14) . . . . ?
C5 C6 C8 O2 29(2) . . . . ?
C40P C39P C38P C37P 1.2(12) . . . . ?
C17P C16P C15P C14P -0.6(11) . . . . ?
C38P C37P C42P C41P -0.1(9) . . . . ?
C38P C39P C40P C41P -0.4(12) . . . . ?
C50P C49P C54P C53P 0.2(10) . . . . ?
C53P C52P C51P C50P 1.7(13) . . . . ?
C32P C31P C36P C35P -1.6(9) . . . . ?
C32P C33P C34P C35P -2.6(12) . . . . ?
C26P C25P C30P C29P -0.7(13) . . . . ?
C51P C52P C53P C54P -0.6(11) . . . . ?
C30P C25P C26P C27P -1.4(12) . . . . ?
C27P C28P C29P C30P 0.6(16) . . . . ?
C29P C28P C27P C26P -2.7(16) . . . . ?
C8 C6 C5 C4 178.4(8) . . . . ?

_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 0.229 0.085 0.424 221.5 70.9 '2 CH2Cl2'
2 -0.229 -0.085 0.576 221.5 68.1 '2 CH2Cl2'
3 -0.271 0.415 -0.076 221.5 70.9 '2 CH2Cl2'
4 0.271 0.585 0.076 221.5 68.1 '2 CH2Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.850
_oxdiff_exptl_absorpt_empirical_full_min 0.518
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2/nhexane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive
####################################################################### 
# 
# 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_2c
_database_code_depnum_ccdc_archive 'CCDC 2054272'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-07 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C66 H54 Cl N O2 Os P3, F6 P, [+ solvents]1[CH2Cl2]'
_chemical_formula_sum            'C66 H54 Cl F6 N O2 Os P4'
_chemical_formula_weight         1356.63
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C264 H208 Cl4 O60 Os4 P20 '
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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.7923(4)
_cell_length_b                   11.9466(3)
_cell_length_c                   41.9680(11)
_cell_angle_alpha                90
_cell_angle_beta                 97.901(3)
_cell_angle_gamma                90
_cell_volume                     6352.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17915
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      74.8880
_cell_measurement_theta_min      3.4810
_shelx_estimated_absorpt_T_max   0.946
_shelx_estimated_absorpt_T_min   0.603
_exptl_absorpt_coefficient_mu    5.635
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            36975
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.167
_diffrn_reflns_theta_min         3.488
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     84.00 178.00   0.50    1.50    --  109.34  61.00-177.00  188
  2  ω    113.00 157.00   0.50    1.50    --  109.34 125.00-120.00   88
  3  ω     97.00 174.00   0.50    1.50    --  109.34  77.00 120.00  154
  4  ω     89.00 154.00   0.50    1.50    --  109.34  45.00 120.00  130
  5  ω   -117.00 -24.00   0.50    0.45    --  -43.10 -61.00  44.00  186
  6  ω   -118.00 -72.00   0.50    0.45    --  -43.10-125.00 150.00   92
  7  ω   -139.00-114.00   0.50    1.50    --  -90.25 -61.00  44.00   50
  8  ω   -107.00 -81.00   0.50    0.45    --  -43.10-125.00 -60.00   52
  9  ω   -117.00 -70.00   0.50    0.45    --  -43.10-125.00-180.00   94
 10  ω    -68.00  23.00   0.50    0.45    --  -43.10  61.00-177.00  182
 11  ω    -51.00 -25.00   0.50    1.50    --  -90.25  45.00-180.00   52
 12  ω    -71.00 -46.00   0.50    1.50    --  -90.25  61.00-177.00   50
 13  ω     38.00 115.00   0.50    1.50    --  109.34-125.00 -90.00  154
 14  ω     57.00  83.00   0.50    1.50    --  109.34-125.00   0.00   52
 15  ω     84.00 116.00   0.50    1.50    --  109.34-125.00   0.00   64
 16  ω     40.00 117.00   0.50    1.50    --  109.34-125.00  60.00  154
 17  ω     42.00  68.00   0.50    1.50    --  109.34 -77.00   0.00   52
 18  ω     74.00 101.00   0.50    1.50    --  109.34 -77.00   0.00   54
 19  ω     38.00  71.00   0.50    1.50    --  109.34 -61.00  90.00   66
 20  ω     43.00  70.00   0.50    1.50    --  109.34 -61.00 120.00   54
 21  ω     38.00  71.00   0.50    1.50    --  109.34 -61.00  44.00   66
 22  ω     35.00  60.00   0.50    1.50    --  109.34 -61.00   0.00   50
 23  ω     43.00  69.00   0.50    1.50    --  109.34 -61.00 -30.00   52
 24  ω     35.00  66.00   0.50    1.50    --  109.34 -61.00 -90.00   62
 25  ω     35.00  66.00   0.50    1.50    --  109.34 -61.00-120.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1165763000
_diffrn_orient_matrix_UB_12      -0.0366318000
_diffrn_orient_matrix_UB_13      -0.0038725000
_diffrn_orient_matrix_UB_21      -0.0261647000
_diffrn_orient_matrix_UB_22      0.0847812000
_diffrn_orient_matrix_UB_23      -0.0275765000
_diffrn_orient_matrix_UB_31      0.0227344000
_diffrn_orient_matrix_UB_32      -0.0899921000
_diffrn_orient_matrix_UB_33      -0.0244343000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12183
_reflns_number_total             12627
_reflns_odcompleteness_completeness 99.49
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.833
_refine_diff_density_min         -4.038
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         12627
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0781
_refine_ls_restrained_S_all      1.112
_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)+139.2281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1702
_refine_ls_wR_factor_ref         0.1714
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C00I(H00I), C00K(H00K), C00R(H00R), C00T(H00T), C00U(H00U),
 C00V(H00V), C3(H3), C00Y(H00Y), C012(H012), C014(H014), C015(H015), C016(H016),
  C019(H019), C01A(H01A), C01C(H01C), C01D(H01D), C01F(H01F), C01G(H01G),
 C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01M(H01M), C01O(H01O),
 C01P(H01P), C01Q(H01Q), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V),
 C01W(H01W), C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021),
 C022(H022), C024(H024), C026(H026), C027(H027), C028(H028), C029(H029),
 C02A(H02A), C02B(H02B), C02C(H02C), C02E(H02E)
2.c Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.65209(3) 0.82515(3) 0.33981(2) 0.02127(10) Uani 1 1 d . . . . .
P1 P 0.62228(15) 0.62962(17) 0.34826(5) 0.0219(4) Uani 1 1 d . . . . .
Cl1 Cl 0.52122(16) 0.81590(18) 0.29268(4) 0.0317(4) Uani 1 1 d . . . . .
P2 P 0.66846(15) 1.02020(17) 0.32669(5) 0.0217(4) Uani 1 1 d . . . . .
P3 P 0.60275(17) 0.90027(18) 0.44435(5) 0.0262(4) Uani 1 1 d . . . . .
P06 P 1.1475(2) 0.4061(3) 0.44211(7) 0.0443(6) Uani 1 1 d . . . . .
F007 F 1.2433(5) 0.4315(6) 0.42270(19) 0.065(2) Uani 1 1 d . . . . .
F009 F 1.0502(5) 0.3810(7) 0.46037(16) 0.0624(19) Uani 1 1 d . . . . .
F00A F 1.1413(5) 0.2814(6) 0.42779(16) 0.0565(17) Uani 1 1 d . . . . .
F00B F 1.2274(5) 0.3642(7) 0.47139(16) 0.0632(19) Uani 1 1 d . . . . .
O1 O 1.0448(5) 0.7106(7) 0.32285(17) 0.0498(19) Uani 1 1 d . . . . .
C00E C 0.7315(7) 1.0461(6) 0.29073(19) 0.0247(16) Uani 1 1 d . . . . .
C00F C 0.6836(6) 0.5789(7) 0.38753(19) 0.0252(16) Uani 1 1 d . . . . .
N1 N 0.9846(6) 0.7749(7) 0.38282(18) 0.0372(18) Uani 1 1 d . . . . .
H1 H 1.026223 0.743212 0.371109 0.045 Uiso 1 1 calc R U . . .
C00I C 0.4524(6) 0.7341(8) 0.4356(2) 0.0295(18) Uani 1 1 d . . . . .
H00I H 0.443168 0.756608 0.414148 0.035 Uiso 1 1 calc R U . . .
C7 C 0.7762(6) 0.7838(7) 0.31570(19) 0.0248(17) Uani 1 1 d . . . . .
C00K C 0.6233(7) 0.5572(8) 0.41171(19) 0.0312(19) Uani 1 1 d . . . . .
H00K H 0.550053 0.559093 0.407116 0.037 Uiso 1 1 calc R U . . .
F00L F 1.0672(6) 0.4469(9) 0.41127(19) 0.093(3) Uani 1 1 d . . . . .
C00M C 0.5283(7) 0.7866(7) 0.4581(2) 0.0278(17) Uani 1 1 d . . . . .
C00N C 0.7418(6) 1.1093(7) 0.35788(18) 0.0248(17) Uani 1 1 d . . . . .
C00O C 0.5419(7) 1.0937(8) 0.31695(19) 0.0288(18) Uani 1 1 d . . . . .
F00P F 1.1541(7) 0.5293(7) 0.4565(3) 0.097(3) Uani 1 1 d . . . . .
C6 C 0.8730(7) 0.7698(8) 0.3330(2) 0.0287(18) Uani 1 1 d . . . . .
C00R C 0.6988(7) 1.2080(7) 0.36771(19) 0.0275(17) Uani 1 1 d . . . . .
H00R H 0.633449 1.231871 0.357491 0.033 Uiso 1 1 calc R U . . .
C4 C 0.7864(5) 0.8215(7) 0.37659(17) 0.0222(15) Uani 1 1 d . . . . .
C00T C 0.7951(7) 0.5716(7) 0.3953(2) 0.0326(19) Uani 1 1 d . . . . .
H00T H 0.837637 0.584334 0.379416 0.039 Uiso 1 1 calc R U . . .
C00U C 0.6727(7) 1.0284(8) 0.26052(19) 0.0313(19) Uani 1 1 d . . . . .
H00U H 0.602845 1.005205 0.259002 0.038 Uiso 1 1 calc R U . . .
C00V C 0.5331(7) 1.1872(7) 0.2971(2) 0.0281(17) Uani 1 1 d . . . . .
H00V H 0.591704 1.212090 0.288258 0.034 Uiso 1 1 calc R U . . .
C3 C 0.7670(6) 0.8446(7) 0.40781(18) 0.0253(17) Uani 1 1 d . . . . .
H3 H 0.819258 0.846458 0.425562 0.030 Uiso 1 1 calc R U . . .
O2 O 0.9853(6) 0.8389(9) 0.43384(19) 0.073(3) Uani 1 1 d . . . . .
C00Y C 0.8357(7) 1.0776(8) 0.2925(2) 0.035(2) Uani 1 1 d . . . . .
H00Y H 0.876008 1.088149 0.312485 0.042 Uiso 1 1 calc R U . . .
C00Z C 0.7094(8) 0.9373(8) 0.4746(2) 0.037(2) Uani 1 1 d . . . . .
C010 C 0.4826(6) 0.5912(7) 0.34826(18) 0.0244(16) Uani 1 1 d . . . . .
C1 C 0.6055(6) 0.8585(7) 0.3777(2) 0.0314(19) Uani 1 1 d . . . . .
C012 C 0.4540(6) 1.0592(8) 0.3305(2) 0.0324(19) Uani 1 1 d . . . . .
H012 H 0.458843 0.997596 0.344135 0.039 Uiso 1 1 calc R U . . .
C013 C 0.6640(6) 0.5332(7) 0.31834(19) 0.0258(17) Uani 1 1 d . . . . .
C014 C 0.3917(7) 0.6489(7) 0.4455(2) 0.0298(18) Uani 1 1 d . . . . .
H014 H 0.342311 0.613106 0.430569 0.036 Uiso 1 1 calc R U . . .
C015 C 0.4062(7) 0.6714(9) 0.3490(2) 0.037(2) Uani 1 1 d . . . . .
H015 H 0.422896 0.746833 0.347681 0.045 Uiso 1 1 calc R U . . .
C016 C 0.7811(7) 0.8543(10) 0.4864(2) 0.041(2) Uani 1 1 d . . . . .
H016 H 0.769234 0.780287 0.480087 0.049 Uiso 1 1 calc R U . . .
C2 C 0.6589(7) 0.8648(7) 0.40940(18) 0.0257(17) Uani 1 1 d . . . . .
C10 C 0.9518(7) 0.7309(9) 0.3134(2) 0.035(2) Uani 1 1 d . . . . .
C019 C 0.7516(7) 1.2720(8) 0.3925(2) 0.033(2) Uani 1 1 d . . . . .
H019 H 0.721091 1.337331 0.398995 0.040 Uiso 1 1 calc R U . . .
C01A C 0.4377(7) 1.2442(8) 0.2903(2) 0.0328(19) Uani 1 1 d . . . . .
H01A H 0.432547 1.306298 0.276814 0.039 Uiso 1 1 calc R U . . .
C5 C 0.8839(6) 0.7924(7) 0.36668(19) 0.0266(17) Uani 1 1 d . . . . .
C01C C 0.8417(6) 1.0776(7) 0.3728(2) 0.0277(17) Uani 1 1 d . . . . .
H01C H 0.872869 1.012747 0.366213 0.033 Uiso 1 1 calc R U . . .
C01D C 0.8492(8) 1.2386(8) 0.4076(2) 0.038(2) Uani 1 1 d . . . . .
H01D H 0.884122 1.280424 0.424493 0.046 Uiso 1 1 calc R U . . .
C8 C 0.7821(6) 0.7617(8) 0.28071(18) 0.0277(18) Uani 1 1 d . . . . .
H8A H 0.769529 0.829880 0.268236 0.033 Uiso 1 1 calc R U . . .
H8B H 0.730111 0.706261 0.272264 0.033 Uiso 1 1 calc R U . . .
C01F C 0.7418(7) 0.4535(7) 0.3247(2) 0.0309(19) Uani 1 1 d . . . . .
H01F H 0.777219 0.445489 0.345445 0.037 Uiso 1 1 calc R U . . .
C01G C 0.8413(8) 0.5457(8) 0.4262(2) 0.041(2) Uani 1 1 d . . . . .
H01G H 0.914347 0.541276 0.430866 0.050 Uiso 1 1 calc R U . . .
C01H C 0.7173(8) 0.3958(8) 0.2695(2) 0.037(2) Uani 1 1 d . . . . .
H01H H 0.735215 0.349515 0.253290 0.045 Uiso 1 1 calc R U . . .
C01I C 0.6703(9) 0.5326(9) 0.4429(2) 0.044(2) Uani 1 1 d . . . . .
H01I H 0.628168 0.520273 0.458950 0.053 Uiso 1 1 calc R U . . .
C01J C 0.6388(7) 0.4765(8) 0.2626(2) 0.035(2) Uani 1 1 d . . . . .
H01J H 0.605759 0.485729 0.241583 0.043 Uiso 1 1 calc R U . . .
C01K C 0.6101(7) 0.5430(9) 0.2870(2) 0.038(2) Uani 1 1 d . . . . .
H01K H 0.555124 0.594033 0.282605 0.045 Uiso 1 1 calc R U . . .
C01L C 0.5131(8) 1.0151(8) 0.4348(2) 0.035(2) Uani 1 1 d . . . . .
C01M C 0.5464(9) 1.1060(8) 0.4192(2) 0.042(2) Uani 1 1 d . . . . .
H01M H 0.614201 1.106981 0.413607 0.050 Uiso 1 1 calc R U . . .
C9 C 0.8949(8) 0.7178(10) 0.2794(2) 0.044(2) Uani 1 1 d . . . . .
H9A H 0.893365 0.639868 0.272869 0.053 Uiso 1 1 calc R U . . .
H9B H 0.929466 0.761242 0.264365 0.053 Uiso 1 1 calc R U . . .
C01O C 0.4104(8) 1.0125(8) 0.4429(2) 0.035(2) Uani 1 1 d . . . . .
H01O H 0.387154 0.950459 0.453304 0.042 Uiso 1 1 calc R U . . .
C01P C 0.5409(7) 0.7553(8) 0.4901(2) 0.0325(19) Uani 1 1 d . . . . .
H01P H 0.590197 0.791236 0.505019 0.039 Uiso 1 1 calc R U . . .
C01Q C 0.8949(8) 1.1419(8) 0.3973(2) 0.038(2) Uani 1 1 d . . . . .
H01Q H 0.961639 1.120290 0.406895 0.045 Uiso 1 1 calc R U . . .
C01S C 0.4777(7) 0.6677(9) 0.4998(2) 0.039(2) Uani 1 1 d . . . . .
H01S H 0.485895 0.644637 0.521197 0.046 Uiso 1 1 calc R U . . .
C01T C 0.7187(8) 1.0456(8) 0.2327(2) 0.038(2) Uani 1 1 d . . . . .
H01T H 0.678778 1.035836 0.212632 0.045 Uiso 1 1 calc R U . . .
C01U C 0.8218(9) 1.0767(10) 0.2348(2) 0.047(3) Uani 1 1 d . . . . .
H01U H 0.852715 1.086555 0.216156 0.056 Uiso 1 1 calc R U . . .
C01V C 0.3439(8) 1.1028(9) 0.4352(2) 0.042(2) Uani 1 1 d . . . . .
H01V H 0.275402 1.100729 0.440299 0.051 Uiso 1 1 calc R U . . .
C01W C 0.7276(10) 1.0493(9) 0.4839(2) 0.051(3) Uani 1 1 d . . . . .
H01W H 0.681037 1.105623 0.475952 0.061 Uiso 1 1 calc R U . . .
C01X C 0.3591(7) 1.1161(10) 0.3236(2) 0.047(3) Uani 1 1 d . . . . .
H01X H 0.300492 1.092269 0.332651 0.057 Uiso 1 1 calc R U . . .
C01Y C 0.3787(9) 1.1966(8) 0.4201(2) 0.047(3) Uani 1 1 d . . . . .
H01Y H 0.334378 1.258034 0.415576 0.056 Uiso 1 1 calc R U . . .
C01Z C 0.4796(10) 1.1978(9) 0.4117(3) 0.053(3) Uani 1 1 d . . . . .
H01Z H 0.503025 1.259452 0.401168 0.063 Uiso 1 1 calc R U . . .
C020 C 0.4033(8) 0.6164(9) 0.4772(2) 0.042(2) Uani 1 1 d . . . . .
H020 H 0.360974 0.559586 0.483555 0.050 Uiso 1 1 calc R U . . .
C021 C 0.4585(7) 0.4769(8) 0.3500(2) 0.035(2) Uani 1 1 d . . . . .
H021 H 0.510270 0.422856 0.349015 0.041 Uiso 1 1 calc R U . . .
C022 C 0.7676(8) 0.3847(9) 0.3001(2) 0.043(2) Uani 1 1 d . . . . .
H022 H 0.819869 0.330674 0.304591 0.052 Uiso 1 1 calc R U . . .
C11 C 1.0318(8) 0.7972(10) 0.4133(2) 0.044(3) Uani 1 1 d . . . . .
C024 C 0.3514(7) 1.2082(9) 0.3035(2) 0.041(2) Uani 1 1 d . . . . .
H024 H 0.287468 1.245857 0.298964 0.049 Uiso 1 1 calc R U . . .
C026 C 0.7790(9) 0.5264(9) 0.4502(2) 0.046(3) Uani 1 1 d . . . . .
H026 H 0.809977 0.509393 0.471029 0.055 Uiso 1 1 calc R U . . .
C027 C 0.2791(8) 0.5285(12) 0.3539(2) 0.054(3) Uani 1 1 d . . . . .
H027 H 0.210320 0.507859 0.356098 0.065 Uiso 1 1 calc R U . . .
C028 C 0.3035(7) 0.6386(10) 0.3517(2) 0.045(3) Uani 1 1 d . . . . .
H028 H 0.251121 0.692428 0.351955 0.053 Uiso 1 1 calc R U . . .
C029 C 0.8187(12) 1.0734(12) 0.5056(3) 0.070(4) Uani 1 1 d . . . . .
H029 H 0.831870 1.146844 0.512359 0.084 Uiso 1 1 calc R U . . .
C02A C 0.8709(8) 0.8825(13) 0.5079(2) 0.058(3) Uani 1 1 d . . . . .
H02A H 0.918239 0.826684 0.515745 0.069 Uiso 1 1 calc R U . . .
C02B C 0.3554(9) 0.4461(11) 0.3531(2) 0.051(3) Uani 1 1 d . . . . .
H02B H 0.337735 0.370955 0.354524 0.061 Uiso 1 1 calc R U . . .
C02C C 0.8807(8) 1.0936(10) 0.2647(3) 0.048(3) Uani 1 1 d . . . . .
H02C H 0.950836 1.115810 0.266025 0.057 Uiso 1 1 calc R U . . .
C02E C 0.8898(10) 0.9892(14) 0.5173(3) 0.065(4) Uani 1 1 d . . . . .
H02E H 0.949995 1.006894 0.531436 0.078 Uiso 1 1 calc R U . . .
C12 C 1.1465(9) 0.7676(15) 0.4193(3) 0.076(5) Uani 1 1 d . . . . .
H12A H 1.160181 0.722886 0.438387 0.114 Uiso 1 1 calc R U . . .
H12B H 1.187860 0.834829 0.421937 0.114 Uiso 1 1 calc R U . . .
H12C H 1.165108 0.725992 0.401279 0.114 Uiso 1 1 calc R 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 P1 2.401(2) . ?
Os1 Cl1 2.4116(19) . ?
Os1 P2 2.410(2) . ?
Os1 C7 2.057(8) . ?
Os1 C4 2.146(7) . ?
Os1 C1 1.818(10) . ?
P1 C00F 1.828(8) . ?
P1 C010 1.845(8) . ?
P1 C013 1.836(8) . ?
P2 C00E 1.833(8) . ?
P2 C00N 1.841(8) . ?
P2 C00O 1.837(9) . ?
P3 C00M 1.799(9) . ?
P3 C00Z 1.788(10) . ?
P3 C2 1.771(8) . ?
P3 C01L 1.798(10) . ?
P06 F007 1.591(6) . ?
P06 F009 1.578(6) . ?
P06 F00A 1.604(7) . ?
P06 F00B 1.569(7) . ?
P06 F00L 1.613(8) . ?
P06 F00P 1.588(9) . ?
O1 C10 1.225(11) . ?
C00E C00U 1.398(11) . ?
C00E C00Y 1.377(12) . ?
C00F C00K 1.381(11) . ?
C00F C00T 1.422(12) . ?
N1 H1 0.8600 . ?
N1 C5 1.387(11) . ?
N1 C11 1.362(12) . ?
C00I H00I 0.9300 . ?
C00I C00M 1.407(12) . ?
C00I C014 1.378(12) . ?
C7 C6 1.356(11) . ?
C7 C8 1.504(10) . ?
C00K H00K 0.9300 . ?
C00K C01I 1.395(12) . ?
C00M C01P 1.382(11) . ?
C00N C00R 1.388(12) . ?
C00N C01C 1.397(11) . ?
C00O C00V 1.389(12) . ?
C00O C012 1.390(11) . ?
C6 C10 1.462(11) . ?
C6 C5 1.427(11) . ?
C00R H00R 0.9300 . ?
C00R C019 1.390(12) . ?
C4 C3 1.394(10) . ?
C4 C5 1.411(11) . ?
C00T H00T 0.9300 . ?
C00T C01G 1.383(13) . ?
C00U H00U 0.9300 . ?
C00U C01T 1.393(11) . ?
C00V H00V 0.9300 . ?
C00V C01A 1.392(12) . ?
C3 H3 0.9300 . ?
C3 C2 1.415(11) . ?
O2 C11 1.220(12) . ?
C00Y H00Y 0.9300 . ?
C00Y C02C 1.385(12) . ?
C00Z C016 1.394(15) . ?
C00Z C01W 1.404(13) . ?
C010 C015 1.372(12) . ?
C010 C021 1.404(12) . ?
C1 C2 1.411(12) . ?
C012 H012 0.9300 . ?
C012 C01X 1.386(13) . ?
C013 C01F 1.376(12) . ?
C013 C01K 1.404(12) . ?
C014 H014 0.9300 . ?
C014 C020 1.374(13) . ?
C015 H015 0.9300 . ?
C015 C028 1.390(13) . ?
C016 H016 0.9300 . ?
C016 C02A 1.399(13) . ?
C10 C9 1.518(12) . ?
C019 H019 0.9300 . ?
C019 C01D 1.378(13) . ?
C01A H01A 0.9300 . ?
C01A C024 1.372(13) . ?
C01C H01C 0.9300 . ?
C01C C01Q 1.384(12) . ?
C01D H01D 0.9300 . ?
C01D C01Q 1.391(14) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.543(12) . ?
C01F H01F 0.9300 . ?
C01F C022 1.395(12) . ?
C01G H01G 0.9300 . ?
C01G C026 1.388(15) . ?
C01H H01H 0.9300 . ?
C01H C01J 1.394(14) . ?
C01H C022 1.359(14) . ?
C01I H01I 0.9300 . ?
C01I C026 1.385(15) . ?
C01J H01J 0.9300 . ?
C01J C01K 1.385(12) . ?
C01K H01K 0.9300 . ?
C01L C01M 1.364(13) . ?
C01L C01O 1.402(13) . ?
C01M H01M 0.9300 . ?
C01M C01Z 1.399(14) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C01O H01O 0.9300 . ?
C01O C01V 1.384(13) . ?
C01P H01P 0.9300 . ?
C01P C01S 1.417(13) . ?
C01Q H01Q 0.9300 . ?
C01S H01S 0.9300 . ?
C01S C020 1.392(13) . ?
C01T H01T 0.9300 . ?
C01T C01U 1.362(14) . ?
C01U H01U 0.9300 . ?
C01U C02C 1.387(15) . ?
C01V H01V 0.9300 . ?
C01V C01Y 1.392(14) . ?
C01W H01W 0.9300 . ?
C01W C029 1.407(17) . ?
C01X H01X 0.9300 . ?
C01X C024 1.381(14) . ?
C01Y H01Y 0.9300 . ?
C01Y C01Z 1.384(15) . ?
C01Z H01Z 0.9300 . ?
C020 H020 0.9300 . ?
C021 H021 0.9300 . ?
C021 C02B 1.392(13) . ?
C022 H022 0.9300 . ?
C11 C12 1.497(15) . ?
C024 H024 0.9300 . ?
C026 H026 0.9300 . ?
C027 H027 0.9300 . ?
C027 C028 1.358(17) . ?
C027 C02B 1.390(18) . ?
C028 H028 0.9300 . ?
C029 H029 0.9300 . ?
C029 C02E 1.40(2) . ?
C02A H02A 0.9300 . ?
C02A C02E 1.347(19) . ?
C02B H02B 0.9300 . ?
C02C H02C 0.9300 . ?
C02E H02E 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?

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 88.29(7) . . ?
P1 Os1 P2 174.24(7) . . ?
P2 Os1 Cl1 85.95(7) . . ?
C7 Os1 P1 89.3(2) . . ?
C7 Os1 Cl1 94.7(2) . . ?
C7 Os1 P2 91.3(2) . . ?
C7 Os1 C4 75.7(3) . . ?
C4 Os1 P1 90.1(2) . . ?
C4 Os1 Cl1 170.3(2) . . ?
C4 Os1 P2 95.6(2) . . ?
C1 Os1 P1 90.4(3) . . ?
C1 Os1 Cl1 117.0(3) . . ?
C1 Os1 P2 92.1(3) . . ?
C1 Os1 C7 148.3(3) . . ?
C1 Os1 C4 72.6(3) . . ?
C00F P1 Os1 113.5(3) . . ?
C00F P1 C010 102.3(4) . . ?
C00F P1 C013 106.2(4) . . ?
C010 P1 Os1 114.6(3) . . ?
C013 P1 Os1 116.2(3) . . ?
C013 P1 C010 102.5(4) . . ?
C00E P2 Os1 114.4(3) . . ?
C00E P2 C00N 104.4(4) . . ?
C00E P2 C00O 102.1(4) . . ?
C00N P2 Os1 116.7(3) . . ?
C00O P2 Os1 114.3(3) . . ?
C00O P2 C00N 103.2(4) . . ?
C00Z P3 C00M 110.1(4) . . ?
C00Z P3 C01L 111.8(5) . . ?
C2 P3 C00M 112.2(4) . . ?
C2 P3 C00Z 106.9(4) . . ?
C2 P3 C01L 108.4(4) . . ?
C01L P3 C00M 107.4(4) . . ?
F007 P06 F00A 89.3(4) . . ?
F007 P06 F00L 89.0(4) . . ?
F009 P06 F007 178.3(4) . . ?
F009 P06 F00A 90.2(4) . . ?
F009 P06 F00L 89.4(4) . . ?
F009 P06 F00P 89.8(4) . . ?
F00A P06 F00L 89.2(5) . . ?
F00B P06 F007 89.8(4) . . ?
F00B P06 F009 91.8(4) . . ?
F00B P06 F00A 89.5(4) . . ?
F00B P06 F00L 178.3(5) . . ?
F00B P06 F00P 90.2(5) . . ?
F00P P06 F007 90.7(4) . . ?
F00P P06 F00A 179.6(6) . . ?
F00P P06 F00L 91.1(6) . . ?
C00U C00E P2 118.6(6) . . ?
C00Y C00E P2 122.2(6) . . ?
C00Y C00E C00U 119.1(7) . . ?
C00K C00F P1 120.7(6) . . ?
C00K C00F C00T 117.6(8) . . ?
C00T C00F P1 121.4(7) . . ?
C5 N1 H1 113.2 . . ?
C11 N1 H1 113.2 . . ?
C11 N1 C5 133.7(8) . . ?
C00M C00I H00I 120.3 . . ?
C014 C00I H00I 120.3 . . ?
C014 C00I C00M 119.4(8) . . ?
C6 C7 Os1 118.4(6) . . ?
C6 C7 C8 109.6(7) . . ?
C8 C7 Os1 131.9(5) . . ?
C00F C00K H00K 119.4 . . ?
C00F C00K C01I 121.1(9) . . ?
C01I C00K H00K 119.4 . . ?
C00I C00M P3 117.9(6) . . ?
C01P C00M P3 121.3(7) . . ?
C01P C00M C00I 120.7(8) . . ?
C00R C00N P2 121.3(6) . . ?
C00R C00N C01C 118.3(8) . . ?
C01C C00N P2 120.5(7) . . ?
C00V C00O P2 121.0(6) . . ?
C00V C00O C012 118.6(8) . . ?
C012 C00O P2 120.3(7) . . ?
C7 C6 C10 112.8(7) . . ?
C7 C6 C5 117.7(7) . . ?
C5 C6 C10 129.5(8) . . ?
C00N C00R H00R 119.4 . . ?
C00N C00R C019 121.2(8) . . ?
C019 C00R H00R 119.4 . . ?
C3 C4 Os1 116.4(5) . . ?
C3 C4 C5 127.1(7) . . ?
C5 C4 Os1 116.4(5) . . ?
C00F C00T H00T 119.5 . . ?
C01G C00T C00F 121.0(9) . . ?
C01G C00T H00T 119.5 . . ?
C00E C00U H00U 119.9 . . ?
C01T C00U C00E 120.1(8) . . ?
C01T C00U H00U 119.9 . . ?
C00O C00V H00V 119.6 . . ?
C00O C00V C01A 120.9(8) . . ?
C01A C00V H00V 119.6 . . ?
C4 C3 H3 123.9 . . ?
C4 C3 C2 112.3(7) . . ?
C2 C3 H3 123.9 . . ?
C00E C00Y H00Y 119.9 . . ?
C00E C00Y C02C 120.2(9) . . ?
C02C C00Y H00Y 119.9 . . ?
C016 C00Z P3 118.5(7) . . ?
C016 C00Z C01W 120.2(10) . . ?
C01W C00Z P3 120.9(9) . . ?
C015 C010 P1 121.3(7) . . ?
C015 C010 C021 121.1(8) . . ?
C021 C010 P1 117.5(6) . . ?
C2 C1 Os1 131.5(6) . . ?
C00O C012 H012 119.8 . . ?
C01X C012 C00O 120.3(9) . . ?
C01X C012 H012 119.8 . . ?
C01F C013 P1 124.9(6) . . ?
C01F C013 C01K 119.2(8) . . ?
C01K C013 P1 115.9(7) . . ?
C00I C014 H014 119.6 . . ?
C020 C014 C00I 120.7(8) . . ?
C020 C014 H014 119.6 . . ?
C010 C015 H015 120.4 . . ?
C010 C015 C028 119.3(10) . . ?
C028 C015 H015 120.4 . . ?
C00Z C016 H016 120.0 . . ?
C00Z C016 C02A 119.9(11) . . ?
C02A C016 H016 120.0 . . ?
C3 C2 P3 126.2(6) . . ?
C1 C2 P3 126.5(7) . . ?
C1 C2 C3 107.2(7) . . ?
O1 C10 C6 126.5(8) . . ?
O1 C10 C9 127.0(8) . . ?
C6 C10 C9 106.4(7) . . ?
C00R C019 H019 120.0 . . ?
C01D C019 C00R 120.1(8) . . ?
C01D C019 H019 120.0 . . ?
C00V C01A H01A 120.2 . . ?
C024 C01A C00V 119.7(9) . . ?
C024 C01A H01A 120.2 . . ?
N1 C5 C6 114.4(7) . . ?
N1 C5 C4 133.9(7) . . ?
C4 C5 C6 111.6(7) . . ?
C00N C01C H01C 119.8 . . ?
C01Q C01C C00N 120.5(8) . . ?
C01Q C01C H01C 119.8 . . ?
C019 C01D H01D 120.3 . . ?
C019 C01D C01Q 119.4(8) . . ?
C01Q C01D H01D 120.3 . . ?
C7 C8 H8A 110.6 . . ?
C7 C8 H8B 110.6 . . ?
C7 C8 C9 105.5(7) . . ?
H8A C8 H8B 108.8 . . ?
C9 C8 H8A 110.6 . . ?
C9 C8 H8B 110.6 . . ?
C013 C01F H01F 119.9 . . ?
C013 C01F C022 120.2(9) . . ?
C022 C01F H01F 119.9 . . ?
C00T C01G H01G 119.9 . . ?
C00T C01G C026 120.3(9) . . ?
C026 C01G H01G 119.9 . . ?
C01J C01H H01H 120.1 . . ?
C022 C01H H01H 120.1 . . ?
C022 C01H C01J 119.9(8) . . ?
C00K C01I H01I 119.7 . . ?
C026 C01I C00K 120.7(10) . . ?
C026 C01I H01I 119.7 . . ?
C01H C01J H01J 120.0 . . ?
C01K C01J C01H 119.9(9) . . ?
C01K C01J H01J 120.0 . . ?
C013 C01K H01K 120.0 . . ?
C01J C01K C013 120.0(9) . . ?
C01J C01K H01K 120.0 . . ?
C01M C01L P3 118.9(7) . . ?
C01M C01L C01O 119.9(9) . . ?
C01O C01L P3 121.3(7) . . ?
C01L C01M H01M 119.6 . . ?
C01L C01M C01Z 120.7(10) . . ?
C01Z C01M H01M 119.6 . . ?
C10 C9 C8 105.2(7) . . ?
C10 C9 H9A 110.7 . . ?
C10 C9 H9B 110.7 . . ?
C8 C9 H9A 110.7 . . ?
C8 C9 H9B 110.7 . . ?
H9A C9 H9B 108.8 . . ?
C01L C01O H01O 120.2 . . ?
C01V C01O C01L 119.6(9) . . ?
C01V C01O H01O 120.2 . . ?
C00M C01P H01P 120.5 . . ?
C00M C01P C01S 119.0(8) . . ?
C01S C01P H01P 120.5 . . ?
C01C C01Q C01D 120.5(9) . . ?
C01C C01Q H01Q 119.7 . . ?
C01D C01Q H01Q 119.7 . . ?
C01P C01S H01S 120.3 . . ?
C020 C01S C01P 119.5(8) . . ?
C020 C01S H01S 120.3 . . ?
C00U C01T H01T 119.9 . . ?
C01U C01T C00U 120.2(9) . . ?
C01U C01T H01T 119.9 . . ?
C01T C01U H01U 120.1 . . ?
C01T C01U C02C 119.9(8) . . ?
C02C C01U H01U 120.1 . . ?
C01O C01V H01V 119.7 . . ?
C01O C01V C01Y 120.6(9) . . ?
C01Y C01V H01V 119.7 . . ?
C00Z C01W H01W 121.1 . . ?
C00Z C01W C029 117.8(12) . . ?
C029 C01W H01W 121.1 . . ?
C012 C01X H01X 119.9 . . ?
C024 C01X C012 120.3(8) . . ?
C024 C01X H01X 119.9 . . ?
C01V C01Y H01Y 120.3 . . ?
C01Z C01Y C01V 119.4(9) . . ?
C01Z C01Y H01Y 120.3 . . ?
C01M C01Z H01Z 120.1 . . ?
C01Y C01Z C01M 119.8(10) . . ?
C01Y C01Z H01Z 120.1 . . ?
C014 C020 C01S 120.6(9) . . ?
C014 C020 H020 119.7 . . ?
C01S C020 H020 119.7 . . ?
C010 C021 H021 120.7 . . ?
C02B C021 C010 118.6(10) . . ?
C02B C021 H021 120.7 . . ?
C01F C022 H022 119.6 . . ?
C01H C022 C01F 120.8(9) . . ?
C01H C022 H022 119.6 . . ?
N1 C11 C12 114.1(9) . . ?
O2 C11 N1 123.2(9) . . ?
O2 C11 C12 122.6(9) . . ?
C01A C024 C01X 120.2(9) . . ?
C01A C024 H024 119.9 . . ?
C01X C024 H024 119.9 . . ?
C01G C026 H026 120.4 . . ?
C01I C026 C01G 119.3(9) . . ?
C01I C026 H026 120.4 . . ?
C028 C027 H027 119.5 . . ?
C028 C027 C02B 121.0(9) . . ?
C02B C027 H027 119.5 . . ?
C015 C028 H028 119.8 . . ?
C027 C028 C015 120.5(10) . . ?
C027 C028 H028 119.8 . . ?
C01W C029 H029 119.3 . . ?
C02E C029 C01W 121.3(11) . . ?
C02E C029 H029 119.3 . . ?
C016 C02A H02A 119.5 . . ?
C02E C02A C016 121.0(13) . . ?
C02E C02A H02A 119.5 . . ?
C021 C02B H02B 120.2 . . ?
C027 C02B C021 119.5(11) . . ?
C027 C02B H02B 120.2 . . ?
C00Y C02C C01U 120.4(9) . . ?
C00Y C02C H02C 119.8 . . ?
C01U C02C H02C 119.8 . . ?
C029 C02E H02E 120.1 . . ?
C02A C02E C029 119.8(11) . . ?
C02A C02E H02E 120.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

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 C00F C00K 105.0(7) . . . . ?
Os1 P1 C00F C00T -68.4(7) . . . . ?
Os1 P1 C010 C015 -10.7(8) . . . . ?
Os1 P1 C010 C021 174.0(6) . . . . ?
Os1 P1 C013 C01F 116.1(7) . . . . ?
Os1 P1 C013 C01K -64.7(7) . . . . ?
Os1 P2 C00E C00U 76.3(7) . . . . ?
Os1 P2 C00E C00Y -100.9(7) . . . . ?
Os1 P2 C00N C00R -128.0(6) . . . . ?
Os1 P2 C00N C01C 50.6(7) . . . . ?
Os1 P2 C00O C00V -153.7(6) . . . . ?
Os1 P2 C00O C012 29.0(8) . . . . ?
Os1 C7 C6 C10 174.9(6) . . . . ?
Os1 C7 C6 C5 -4.2(11) . . . . ?
Os1 C7 C8 C9 -171.7(7) . . . . ?
Os1 C4 C3 C2 1.0(9) . . . . ?
Os1 C4 C5 N1 -175.7(8) . . . . ?
Os1 C4 C5 C6 -0.3(10) . . . . ?
Os1 C1 C2 P3 179.3(5) . . . . ?
Os1 C1 C2 C3 3.0(11) . . . . ?
P1 Os1 C1 C2 88.0(8) . . . . ?
P1 C00F C00K C01I -171.6(7) . . . . ?
P1 C00F C00T C01G 172.4(7) . . . . ?
P1 C010 C015 C028 -174.6(7) . . . . ?
P1 C010 C021 C02B 174.0(7) . . . . ?
P1 C013 C01F C022 -179.8(7) . . . . ?
P1 C013 C01K C01J 177.7(7) . . . . ?
Cl1 Os1 C1 C2 176.3(7) . . . . ?
P2 Os1 C1 C2 -97.2(8) . . . . ?
P2 C00E C00U C01T -179.0(7) . . . . ?
P2 C00E C00Y C02C 178.4(8) . . . . ?
P2 C00N C00R C019 176.3(7) . . . . ?
P2 C00N C01C C01Q -177.0(7) . . . . ?
P2 C00O C00V C01A -178.7(7) . . . . ?
P2 C00O C012 C01X 178.6(8) . . . . ?
P3 C00M C01P C01S 177.8(7) . . . . ?
P3 C00Z C016 C02A 173.9(7) . . . . ?
P3 C00Z C01W C029 -174.1(8) . . . . ?
P3 C01L C01M C01Z -179.1(8) . . . . ?
P3 C01L C01O C01V 179.6(7) . . . . ?
O1 C10 C9 C8 -176.7(10) . . . . ?
C00E P2 C00N C00R 104.6(7) . . . . ?
C00E P2 C00N C01C -76.7(7) . . . . ?
C00E P2 C00O C00V -29.6(8) . . . . ?
C00E P2 C00O C012 153.1(7) . . . . ?
C00E C00U C01T C01U 1.8(15) . . . . ?
C00E C00Y C02C C01U -0.8(17) . . . . ?
C00F P1 C010 C015 112.5(7) . . . . ?
C00F P1 C010 C021 -62.8(7) . . . . ?
C00F P1 C013 C01F -11.2(9) . . . . ?
C00F P1 C013 C01K 168.0(7) . . . . ?
C00F C00K C01I C026 -1.7(15) . . . . ?
C00F C00T C01G C026 0.0(14) . . . . ?
C00I C00M C01P C01S 1.4(14) . . . . ?
C00I C014 C020 C01S -1.0(15) . . . . ?
C7 Os1 C1 C2 -1.2(13) . . . . ?
C7 C6 C10 O1 -179.3(10) . . . . ?
C7 C6 C10 C9 -0.8(12) . . . . ?
C7 C6 C5 N1 179.2(8) . . . . ?
C7 C6 C5 C4 2.8(12) . . . . ?
C7 C8 C9 C10 -6.9(11) . . . . ?
C00K C00F C00T C01G -1.2(13) . . . . ?
C00K C01I C026 C01G 0.5(16) . . . . ?
C00M P3 C00Z C016 55.8(8) . . . . ?
C00M P3 C00Z C01W -131.1(8) . . . . ?
C00M P3 C2 C3 -107.7(8) . . . . ?
C00M P3 C2 C1 76.7(8) . . . . ?
C00M P3 C01L C01M -170.3(8) . . . . ?
C00M P3 C01L C01O 9.6(9) . . . . ?
C00M C00I C014 C020 1.2(13) . . . . ?
C00M C01P C01S C020 -1.1(15) . . . . ?
C00N P2 C00E C00U -155.0(7) . . . . ?
C00N P2 C00E C00Y 27.8(8) . . . . ?
C00N P2 C00O C00V 78.6(7) . . . . ?
C00N P2 C00O C012 -98.7(8) . . . . ?
C00N C00R C019 C01D 0.9(13) . . . . ?
C00N C01C C01Q C01D 0.5(14) . . . . ?
C00O P2 C00E C00U -47.7(8) . . . . ?
C00O P2 C00E C00Y 135.1(8) . . . . ?
C00O P2 C00N C00R -1.8(7) . . . . ?
C00O P2 C00N C01C 176.8(7) . . . . ?
C00O C00V C01A C024 0.6(14) . . . . ?
C00O C012 C01X C024 -0.4(16) . . . . ?
C6 C7 C8 C9 6.7(11) . . . . ?
C6 C10 C9 C8 4.9(11) . . . . ?
C00R C00N C01C C01Q 1.6(12) . . . . ?
C00R C019 C01D C01Q 1.3(14) . . . . ?
C4 Os1 C1 C2 -2.0(8) . . . . ?
C4 C3 C2 P3 -178.3(6) . . . . ?
C4 C3 C2 C1 -2.1(10) . . . . ?
C00T C00F C00K C01I 2.0(13) . . . . ?
C00T C01G C026 C01I 0.4(16) . . . . ?
C00U C00E C00Y C02C 1.2(14) . . . . ?
C00U C01T C01U C02C -1.4(17) . . . . ?
C00V C00O C012 C01X 1.2(14) . . . . ?
C00V C01A C024 C01X 0.2(15) . . . . ?
C3 C4 C5 N1 1.9(16) . . . . ?
C3 C4 C5 C6 177.4(8) . . . . ?
C00Y C00E C00U C01T -1.7(14) . . . . ?
C00Z P3 C00M C00I -169.6(7) . . . . ?
C00Z P3 C00M C01P 13.8(9) . . . . ?
C00Z P3 C2 C3 13.2(9) . . . . ?
C00Z P3 C2 C1 -162.4(8) . . . . ?
C00Z P3 C01L C01M 68.7(9) . . . . ?
C00Z P3 C01L C01O -111.4(8) . . . . ?
C00Z C016 C02A C02E -0.3(15) . . . . ?
C00Z C01W C029 C02E 1.0(16) . . . . ?
C010 P1 C00F C00K -19.0(8) . . . . ?
C010 P1 C00F C00T 167.6(7) . . . . ?
C010 P1 C013 C01F -118.2(8) . . . . ?
C010 P1 C013 C01K 61.0(7) . . . . ?
C010 C015 C028 C027 0.7(14) . . . . ?
C010 C021 C02B C027 0.9(14) . . . . ?
C012 C00O C00V C01A -1.3(13) . . . . ?
C012 C01X C024 C01A -0.3(17) . . . . ?
C013 P1 C00F C00K -126.1(7) . . . . ?
C013 P1 C00F C00T 60.5(8) . . . . ?
C013 P1 C010 C015 -137.5(7) . . . . ?
C013 P1 C010 C021 47.2(7) . . . . ?
C013 C01F C022 C01H 0.5(15) . . . . ?
C014 C00I C00M P3 -178.0(6) . . . . ?
C014 C00I C00M C01P -1.4(13) . . . . ?
C015 C010 C021 C02B -1.3(13) . . . . ?
C016 C00Z C01W C029 -1.0(14) . . . . ?
C016 C02A C02E C029 0.3(17) . . . . ?
C2 P3 C00M C00I -50.6(8) . . . . ?
C2 P3 C00M C01P 132.8(7) . . . . ?
C2 P3 C00Z C016 -66.4(8) . . . . ?
C2 P3 C00Z C01W 106.8(8) . . . . ?
C2 P3 C01L C01M -48.9(9) . . . . ?
C2 P3 C01L C01O 131.0(8) . . . . ?
C10 C6 C5 N1 0.3(14) . . . . ?
C10 C6 C5 C4 -176.1(9) . . . . ?
C019 C01D C01Q C01C -2.0(14) . . . . ?
C5 N1 C11 O2 2(2) . . . . ?
C5 N1 C11 C12 -176.9(12) . . . . ?
C5 C6 C10 O1 -0.3(18) . . . . ?
C5 C6 C10 C9 178.1(9) . . . . ?
C5 C4 C3 C2 -176.7(8) . . . . ?
C01C C00N C00R C019 -2.4(12) . . . . ?
C8 C7 C6 C10 -3.8(11) . . . . ?
C8 C7 C6 C5 177.2(8) . . . . ?
C01F C013 C01K C01J -3.1(14) . . . . ?
C01H C01J C01K C013 3.5(15) . . . . ?
C01J C01H C022 C01F -0.1(16) . . . . ?
C01K C013 C01F C022 1.1(14) . . . . ?
C01L P3 C00M C00I 68.4(7) . . . . ?
C01L P3 C00M C01P -108.2(8) . . . . ?
C01L P3 C00Z C016 175.1(7) . . . . ?
C01L P3 C00Z C01W -11.8(9) . . . . ?
C01L P3 C2 C3 133.9(8) . . . . ?
C01L P3 C2 C1 -41.7(9) . . . . ?
C01L C01M C01Z C01Y 0.0(17) . . . . ?
C01L C01O C01V C01Y -1.0(15) . . . . ?
C01M C01L C01O C01V -0.5(14) . . . . ?
C01O C01L C01M C01Z 1.0(15) . . . . ?
C01O C01V C01Y C01Z 1.9(16) . . . . ?
C01P C01S C020 C014 0.9(16) . . . . ?
C01T C01U C02C C00Y 0.9(18) . . . . ?
C01V C01Y C01Z C01M -1.4(17) . . . . ?
C01W C00Z C016 C02A 0.7(14) . . . . ?
C01W C029 C02E C02A -0.6(18) . . . . ?
C021 C010 C015 C028 0.5(13) . . . . ?
C022 C01H C01J C01K -1.9(15) . . . . ?
C11 N1 C5 C6 171.4(11) . . . . ?
C11 N1 C5 C4 -13.2(19) . . . . ?
C028 C027 C02B C021 0.3(16) . . . . ?
C02B C027 C028 C015 -1.1(16) . . . . ?

_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 -0.580 0.250 471.1 134.4 '3.2 CH2Cl2'
2 0.000 -0.233 0.750 471.1 134.4 '3.2 CH2Cl2'
3 -0.134 0.189 -0.007 36.1 0.5 '1 H2O'
4 -0.134 0.311 0.493 36.1 0.5 '1 H2O'
5 0.134 0.689 0.507 36.1 1.1 '1 H2O'
6 0.134 0.811 0.007 36.1 1.1 '1 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.416
_oxdiff_exptl_absorpt_empirical_full_min 0.322
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 2054330'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-07 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H54 Cl N O3 Os P3, F6 P, C H2 Cl2'
_chemical_formula_sum            'C73 H56 Cl3 F6 N O3 Os P4'
_chemical_formula_weight         1529.61
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C174 H154 Cl8 Os2 P8 '
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'
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                   13.98058(8)
_cell_length_b                   14.27702(8)
_cell_length_c                   19.13965(8)
_cell_angle_alpha                73.8520(4)
_cell_angle_beta                 83.3208(4)
_cell_angle_gamma                73.5796(5)
_cell_volume                     3516.95(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    90107
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.0660
_cell_measurement_theta_min      2.4040
_shelx_estimated_absorpt_T_max   0.592
_shelx_estimated_absorpt_T_min   0.387
_exptl_absorpt_coefficient_mu    5.852
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1532
_exptl_crystal_size_max          0.2
_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  0.0303
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            103664
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.175
_diffrn_reflns_theta_min         2.405
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      4.00  33.00   0.50    0.70    --  -43.10  38.00   0.00   58
  2  ω     -3.00  22.00   0.50    0.70    --   38.00  99.00 -29.98   50
  3  ω     18.00  43.00   0.50    0.70    --   54.00  88.00 -27.76   50
  4  ω     18.00  44.00   0.50    0.70    --   54.00  92.00  -8.15   52
  5  ω     26.00  55.00   0.50    0.70    --   58.00  83.00 -70.60   58
  6  ω     16.00  41.00   0.50    0.70    --   54.00  92.00-119.14   50
  7  ω     33.00  58.00   0.50    0.70    --   66.00  82.00-137.82   50
  8  ω     61.00 165.00   0.50    2.10    --   94.00  82.00 -75.11  208
  9  ω    144.00 178.00   0.50    2.10    --  109.34  77.00 -30.00   68
 10  ω     96.00 122.00   0.50    0.70    --   43.10  38.00-180.00   52
 11  ω     89.00 177.00   0.50    2.10    --  109.34  61.00-150.00  176
 12  ω    152.00 178.00   0.50    2.10    --  109.34  61.00-180.00   52
 13  ω    112.00 176.00   0.50    2.10    --  109.34  77.00-180.00  128
 14  ω     94.00 158.00   0.50    2.10    --  109.34  61.00 -90.00  128
 15  ω     90.00 178.00   0.50    2.10    --  109.34  77.00  60.00  176
 16  ω    108.00 169.00   0.50    2.10    --  109.34  88.00 140.00  122
 17  ω     88.00 160.00   0.50    2.10    --  109.34  45.00 150.00  144
 18  ω     82.00 176.00   0.50    2.10    --  109.34  77.00   0.00  188
 19  ω     86.00 172.00   0.50    2.10    --  109.34  61.00 -30.00  172
 20  ω     89.00 177.00   0.50    2.10    --  109.34  45.00 120.00  176
 21  ω     87.00 169.00   0.50    2.10    --  109.34  77.00  90.00  164
 22  ω     80.00 130.00   0.50    2.10    --  109.34  77.00 -30.00  100
 23  ω     80.00 177.00   0.50    2.10    --  109.34  77.00-120.00  194
 24  ω     84.00 148.00   0.50    2.10    --  109.34  61.00-180.00  128
 25  ω     80.00 136.00   0.50    2.10    --  109.34  77.00 -60.00  112
 26  ω     79.00 177.00   0.50    2.10    --  109.34  77.00  30.00  196
 27  ω     65.00  91.00   0.50    0.70    --   70.00  81.00 139.77   52
 28  ω     34.00  59.00   0.50    0.70    --   66.00  80.00  89.72   50
 29  ω     37.00  62.00   0.50    0.70    --   70.00  81.00 139.77   50
 30  ω     20.00 122.00   0.50    0.70    --   43.10  38.00  60.00  204
 31  ω     68.00  94.00   0.50    2.10    --  109.34 -77.00  90.00   52
 32  ω    112.00 143.00   0.50    2.10    --  109.34 -88.00  23.00   62
 33  ω     92.00 117.00   0.50    2.10    --  109.34-125.00   0.00   50
 34  ω     87.00 117.00   0.50    2.10    --  109.34-125.00 -60.00   60
 35  ω     66.00 109.00   0.50    2.10    --  109.34-125.00 -90.00   86
 36  ω     79.00 105.00   0.50    2.10    --  109.34 -77.00-150.00   52
 37  ω     41.00  75.00   0.50    2.10    --  109.34-125.00 -60.00   68
 38  ω     48.00  87.00   0.50    2.10    --  109.34-125.00   0.00   78
 39  ω     51.00  96.00   0.50    2.10    --  109.34 -88.00  23.00   90
 40  ω     40.00 108.00   0.50    2.10    --  109.34 -94.00 -60.00  136
 41  ω     38.00  71.00   0.50    2.10    --  109.34 -77.00-150.00   66
 42  ω     35.00 116.00   0.50    2.10    --  109.34-125.00-150.00  162
 43  ω     38.00 108.00   0.50    2.10    --  109.34 -94.00   0.00  140
 44  ω     41.00 116.00   0.50    2.10    --  109.34-125.00 120.00  150
 45  ω     41.00  67.00   0.50    2.10    --  109.34 -77.00  60.00   52
 46  ω     36.00  62.00   0.50    2.10    --  109.34 -77.00  90.00   52
 47  ω     35.00 104.00   0.50    2.10    --  109.34 -94.00 150.00  138
 48  ω     38.00  64.00   0.50    2.10    --  109.34 -61.00 -30.00   52
 49  ω      2.00  76.00   0.50    0.70    --   43.10 -88.00  23.00  148
 50  ω     18.00  89.00   0.50    0.70    --   43.10  38.00-180.00  142
 51  ω     19.00  44.00   0.50    0.70    --   54.00  89.00-165.29   50
 52  ω      8.00  33.00   0.50    0.70    --   46.00  93.00-151.21   50
 53  ω     -6.00  28.00   0.50    0.70    --   34.00  97.00-171.85   68
 54  ω     -1.00  28.00   0.50    0.70    --   38.00  95.00-112.66   58
 55  ω    -42.00 -12.00   0.50    0.70    --  -43.10  38.00   0.00   60
 56  ω    -42.00  27.00   0.50    0.70    --  -43.10  38.00  90.00  138
 57  ω    -64.00 -38.00   0.50    2.10    --  -90.25  88.00 140.00   52
 58  ω    -79.00  30.00   0.50    0.70    --  -43.10  88.00 140.00  218
 59  ω    -58.00 -18.00   0.50    0.70    --  -43.10 -62.00  74.70   80
 60  ω    -52.00 -26.00   0.50    0.70    --  -58.00 -83.00  36.20   52
 61  ω    -54.00 -28.00   0.50    0.70    --  -62.00 -83.00  92.57   52
 62  ω    -57.00 -32.00   0.50    0.70    --  -66.00 -83.00  13.14   50
 63  ω    -62.00 -36.00   0.50    2.10    --  -70.00 -83.00   7.56   52
 64  ω    -66.00 -38.00   0.50    2.10    --  -70.00 -83.00 -21.20   56
 65  ω    -55.00 -29.00   0.50    0.70    --  -62.00 -83.00 -69.89   52
 66  ω    -58.00 -32.00   0.50    0.70    --  -66.00 -83.00 -80.84   52
 67  ω    -66.00 -41.00   0.50    2.10    --  -74.00 -81.00 -35.64   50
 68  ω    -62.00  -5.00   0.50    0.70    --  -43.10 -19.00 -60.00  114
 69  ω    -67.00 -41.00   0.50    2.10    --  -74.00 -81.00-110.34   52
 70  ω    -67.00 -41.00   0.50    2.10    --  -74.00 -81.00-136.16   52
 71  ω    -83.00 -46.00   0.50    2.10    --  -78.00 -79.00 -89.38   74
 72  ω    -73.00 -47.00   0.50    2.10    --  -78.00 -76.00-164.97   52
 73  ω    -90.00 -60.00   0.50    2.10    --  -90.25 -75.00-169.47   60
 74  ω    -86.00 -57.00   0.50    2.10    --  -90.25 -83.00-133.42   58
 75  ω    -87.00 -57.00   0.50    2.10    --  -90.25 -81.00-118.84   60
 76  ω    -83.00 -57.00   0.50    2.10    --  -90.25 -83.00 -38.24   52
 77  ω    -81.00 -56.00   0.50    2.10    --  -86.00 -76.00  -4.33   50
 78  ω    -72.00 -47.00   0.50    2.10    --  -78.00 -77.00  50.58   50
 79  ω    -68.00 -43.00   0.50    2.10    --  -74.00 -79.00  73.54   50
 80  ω    -72.00 -44.00   0.50    2.10    --  -74.00 -76.00 104.37   56
 81  ω    -64.00 -39.00   0.50    2.10    --  -70.00 -78.00 157.50   50
 82  ω    -71.00 -45.00   0.50    2.10    --  -74.00 -78.00 140.98   52
 83  ω    -74.00 -48.00   0.50    2.10    --  -78.00 -77.00 170.30   52
 84  ω    -80.00 -55.00   0.50    2.10    --  -86.00 -78.00 135.04   50
 85  ω    -84.00 -59.00   0.50    2.10    --  -90.25 -78.00 116.99   50
 86  ω    -86.00 -57.00   0.50    2.10    --  -90.25 -81.00  60.31   58
 87  ω    -82.00 -57.00   0.50    2.10    --  -90.25 -83.00  -3.02   50
 88  ω    -84.00 -59.00   0.50    2.10    --  -90.25 -77.00 -30.00   50
 89  ω    -89.00 -63.00   0.50    0.70    --  -58.00 -83.00  36.20   52
 90  ω    -99.00 -57.00   0.50    2.10    --  -90.25 -83.00  24.20   84
 91  ω    -84.00 -59.00   0.50    2.10    --  -90.25 -77.00  81.84   50
 92  ω    -84.00 -59.00   0.50    2.10    --  -90.25 -81.00  38.02   50
 93  ω   -101.00 -58.00   0.50    2.10    --  -90.25 -83.00 116.94   86
 94  ω    -97.00 -60.00   0.50    2.10    --  -90.25 -76.00 171.67   74
 95  ω    -93.00 -58.00   0.50    2.10    --  -90.25 -79.00 159.54   70
 96  ω   -110.00 -84.00   0.50    0.70    --  -43.10 -62.00  74.70   52
 97  ω   -116.00 -90.00   0.50    2.10    --  -90.25 -81.00  38.02   52
 98  ω   -100.00 -61.00   0.50    2.10    --  -90.25 -72.00  36.90   78
 99  ω    -84.00 -59.00   0.50    2.10    --  -90.25 -77.00 -60.00   50
100  ω    -91.00 -60.00   0.50    2.10    --  -90.25 -75.00 -82.08   62
101  ω    -96.00 -60.00   0.50    2.10    --  -90.25 -74.00-113.42   72
102  ω   -114.00 -62.00   0.50    2.10    --  -90.00 -76.00 -90.94  104
103  ω   -118.00 -71.00   0.50    0.70    --  -43.10-125.00-180.00   94
104  ω   -122.00 -71.00   0.50    0.70    --  -43.10 -19.00 -60.00  102
105  ω   -126.00 -59.00   0.50    2.10    --  -90.25 -79.00  77.14  134
106  ω   -144.00-119.00   0.50    2.10    --  -90.25 -88.00  23.00   50
107  ω   -145.00-119.00   0.50    2.10    --  -74.00 -81.00 -35.64   52
108  ω   -161.00-135.00   0.50    2.10    --  -90.00 -76.00 -90.94   52
109  ω   -164.00-114.00   0.50    2.10    --  -90.25 -75.00 -82.08  100
110  ω   -150.00-124.00   0.50    2.10    --  -90.25 -75.00-169.47   52
111  ω   -157.00-132.00   0.50    2.10    --  -90.25 -77.00 -60.00   50
112  ω   -157.00-131.00   0.50    2.10    --  -90.25 -83.00  24.20   52
113  ω   -160.00-106.00   0.50    2.10    --  -90.25 -81.00  60.31  108
114  ω   -145.00-113.00   0.50    2.10    --  -74.00 -76.00 104.37   64
115  ω   -160.00-120.00   0.50    2.10    --  -90.25 -83.00 116.94   80
116  ω   -161.00-103.00   0.50    2.10    --  -90.25 -77.00  81.84  116
117  ω   -162.00-133.00   0.50    2.10    --  -90.25 -83.00  -3.02   58
118  ω    -96.00 -71.00   0.50    2.10    --  -90.25  88.00 140.00   50
119  ω      6.00  31.00   0.50    0.70    --   46.00  96.00  84.92   50
120  ω     16.00  41.00   0.50    0.70    --   54.00  92.00  93.80   50
121  ω     19.00  44.00   0.50    0.70    --   54.00  87.00 151.98   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0446708000
_diffrn_orient_matrix_UB_12      0.1145266000
_diffrn_orient_matrix_UB_13      -0.0104597000
_diffrn_orient_matrix_UB_21      -0.0371008000
_diffrn_orient_matrix_UB_22      0.0081833000
_diffrn_orient_matrix_UB_23      -0.0747211000
_diffrn_orient_matrix_UB_31      -0.0992333000
_diffrn_orient_matrix_UB_32      -0.0192216000
_diffrn_orient_matrix_UB_33      0.0366198000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14182
_reflns_number_total             14243
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.429
_refine_diff_density_min         -2.079
_refine_diff_density_rms         0.073
_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     820
_refine_ls_number_reflns         14243
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0257
_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)+(0.0304P)²+5.6902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0653
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C8(H8A,H8B), C02O(H02H,H02K)
2.b Aromatic/amide H refined with riding coordinates:
 C00T(H00T), C00V(H00V), C00X(H00X), C011(H011), C012(H012), C013(H013),
 C015(H015), C016(H016), C017(H017), C019(H019), C01A(H01A), C01E(H01E),
 C01F(H01F), C01G(H01G), C01H(H01H), C17(H17), C01L(H01L), C01M(H01M),
 C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01S(H01S), C01T(H01T),
 C01U(H01U), C3(H3), C01Y(H01Y), C16(H16), C020(H020), C021(H021), C022(H022),
 C023(H023), C025(H025), C026(H026), C027(H027), C028(H028), C029(H029),
 C02A(H02A), C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02F(H02F),
 C02G(H02G), C14(H14), C02I(H02I), C02J(H02J), C15(H15), C02L(H02L), C02M(H02M)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.77619(2) 0.21247(2) 0.73730(2) 0.01701(4) Uani 1 1 d . . . . .
Cl1 Cl 0.86596(4) 0.06005(4) 0.70284(3) 0.02462(11) Uani 1 1 d . . . . .
P2 P 0.70336(4) 0.26440(4) 0.62010(3) 0.01914(11) Uani 1 1 d . . . . .
P3 P 0.46464(4) 0.30732(4) 0.84402(3) 0.02062(11) Uani 1 1 d . . . . .
P1 P 0.85871(4) 0.12739(4) 0.85018(3) 0.02172(11) Uani 1 1 d . . . . .
P4 P 0.45774(6) 0.78228(5) 0.72162(4) 0.03709(16) Uani 1 1 d . . . . .
Cl07 Cl 1.10297(9) -0.16609(9) 0.70683(7) 0.0875(4) Uani 1 1 d . . . . .
Cl00 Cl 1.09343(16) -0.00746(11) 0.57275(9) 0.1360(8) Uani 1 1 d . . . . .
F3 F 0.39411(14) 0.75199(13) 0.67107(9) 0.0430(4) Uani 1 1 d . . . . .
F5 F 0.52177(17) 0.81302(14) 0.77156(10) 0.0559(5) Uani 1 1 d . . . . .
F1 F 0.51317(18) 0.66603(14) 0.75332(11) 0.0609(6) Uani 1 1 d . . . . .
O1 O 0.98945(15) 0.48563(15) 0.67046(11) 0.0371(4) Uani 1 1 d . . . . .
O2 O 0.78559(19) 0.58573(16) 0.59489(11) 0.0458(5) Uani 1 1 d . . . . .
N1 N 0.76834(16) 0.52828(15) 0.72116(11) 0.0277(4) Uani 1 1 d . . . . .
F6 F 0.4040(2) 0.89942(15) 0.68855(13) 0.0715(7) Uani 1 1 d . . . . .
F2 F 0.54119(17) 0.79110(18) 0.65810(11) 0.0632(6) Uani 1 1 d . . . . .
O3 O 0.7684(2) 0.51785(16) 0.84314(11) 0.0584(7) Uani 1 1 d . . . . .
F4 F 0.37378(19) 0.7746(2) 0.78477(11) 0.0753(7) Uani 1 1 d . . . . .
C00M C 0.79301(17) 0.29296(19) 0.54501(12) 0.0249(5) Uani 1 1 d . . . . .
C2 C 0.58561(16) 0.30894(17) 0.80374(12) 0.0204(4) Uani 1 1 d . . . . .
C00O C 0.82100(18) 0.18235(18) 0.92806(13) 0.0255(5) Uani 1 1 d . . . . .
C1 C 0.65148(16) 0.22585(16) 0.78305(11) 0.0194(4) Uani 1 1 d . . . . .
C5 C 0.78995(18) 0.42313(17) 0.72446(12) 0.0235(5) Uani 1 1 d . . . . .
C00R C 0.45135(17) 0.18245(18) 0.85333(13) 0.0247(5) Uani 1 1 d . . . . .
C00S C 0.65918(18) 0.16744(18) 0.59834(12) 0.0240(5) Uani 1 1 d . . . . .
C00T C 0.80284(19) 0.1242(2) 0.99777(14) 0.0295(5) Uani 1 1 d . . . . .
H00T H 0.806477 0.056164 1.005021 0.035 Uiso 1 1 calc R U . . .
C00U C 0.99369(19) 0.1114(2) 0.83951(14) 0.0335(6) Uani 1 1 d . . . . .
C00V C 0.64248(18) 0.08454(18) 0.65198(13) 0.0245(5) Uani 1 1 d . . . . .
H00V H 0.655234 0.076928 0.700141 0.029 Uiso 1 1 calc R U . . .
C6 C 0.88023(18) 0.37559(18) 0.69427(13) 0.0247(5) Uani 1 1 d . . . . .
C00X C 0.8058(2) 0.3903(2) 0.51715(14) 0.0305(5) Uani 1 1 d . . . . .
H00X H 0.763457 0.444034 0.533243 0.037 Uiso 1 1 calc R U . . .
C00Y C 0.59334(18) 0.37282(18) 0.60798(12) 0.0240(5) Uani 1 1 d . . . . .
C7 C 0.89026(17) 0.27653(18) 0.69310(12) 0.0231(5) Uani 1 1 d . . . . .
C010 C 0.45139(18) 0.33117(18) 0.93221(13) 0.0254(5) Uani 1 1 d . . . . .
C011 C 0.47078(18) 0.1412(2) 0.79339(14) 0.0286(5) Uani 1 1 d . . . . .
H011 H 0.487566 0.179259 0.748090 0.034 Uiso 1 1 calc R U . . .
C012 C 0.6068(2) 0.0130(2) 0.63404(14) 0.0330(6) Uani 1 1 d . . . . .
H012 H 0.595476 -0.042162 0.670160 0.040 Uiso 1 1 calc R U . . .
C013 C 0.50042(19) 0.3611(2) 0.59866(13) 0.0315(5) Uani 1 1 d . . . . .
H013 H 0.494660 0.298314 0.597206 0.038 Uiso 1 1 calc R U . . .
C014 C 0.84344(18) -0.00031(18) 0.88756(13) 0.0255(5) Uani 1 1 d . . . . .
C015 C 0.35596(19) 0.3730(2) 0.95838(14) 0.0294(5) Uani 1 1 d . . . . .
H015 H 0.301774 0.392953 0.928742 0.035 Uiso 1 1 calc R U . . .
C016 C 0.5993(2) 0.46763(19) 0.61134(13) 0.0296(5) Uani 1 1 d . . . . .
H016 H 0.660433 0.476659 0.618476 0.036 Uiso 1 1 calc R U . . .
C017 C 0.8131(2) 0.2849(2) 0.91882(15) 0.0351(6) Uani 1 1 d . . . . .
H017 H 0.822373 0.325415 0.872597 0.042 Uiso 1 1 calc R U . . .
C4 C 0.72667(17) 0.35999(17) 0.75201(12) 0.0209(4) Uani 1 1 d . . . . .
C019 C 0.8573(2) 0.2136(2) 0.52026(14) 0.0347(6) Uani 1 1 d . . . . .
H019 H 0.849666 0.148421 0.538417 0.042 Uiso 1 1 calc R U . . .
C01A C 0.75314(19) -0.01996(19) 0.88022(13) 0.0276(5) Uani 1 1 d . . . . .
H01A H 0.703220 0.030442 0.853230 0.033 Uiso 1 1 calc R U . . .
C01B C 0.36705(17) 0.40118(19) 0.79150(12) 0.0248(5) Uani 1 1 d . . . . .
C11 C 0.7823(2) 0.5998(2) 0.65457(14) 0.0312(5) Uani 1 1 d . . . . .
C01E C 0.7379(2) -0.1148(2) 0.91323(14) 0.0344(6) Uani 1 1 d . . . . .
H01E H 0.677710 -0.127606 0.908513 0.041 Uiso 1 1 calc R U . . .
C01F C 0.4241(2) 0.1258(2) 0.92075(14) 0.0311(5) Uani 1 1 d . . . . .
H01F H 0.410468 0.153178 0.960713 0.037 Uiso 1 1 calc R U . . .
C01G C 0.29412(19) 0.3746(2) 0.76322(15) 0.0322(5) Uani 1 1 d . . . . .
H01G H 0.298321 0.306951 0.767931 0.039 Uiso 1 1 calc R U . . .
C01H C 0.36150(19) 0.50279(19) 0.78345(14) 0.0301(5) Uani 1 1 d . . . . .
H01H H 0.411108 0.520498 0.801347 0.036 Uiso 1 1 calc R U . . .
C9 C 1.0407(2) 0.3244(2) 0.63745(16) 0.0360(6) Uani 1 1 d . . . . .
H9A H 1.104938 0.302417 0.659638 0.043 Uiso 1 1 calc R U . . .
H9B H 1.050837 0.347237 0.585131 0.043 Uiso 1 1 calc R U . . .
C12 C 0.7723(2) 0.5652(2) 0.78074(15) 0.0349(6) Uani 1 1 d . . . . .
C17 C 0.8113(2) 0.77768(19) 0.63266(15) 0.0333(6) Uani 1 1 d . . . . .
H17 H 0.814536 0.791704 0.582127 0.040 Uiso 1 1 calc R U . . .
C01L C 0.7794(2) 0.1677(2) 1.05619(14) 0.0342(6) Uani 1 1 d . . . . .
H01L H 0.766403 0.128743 1.102173 0.041 Uiso 1 1 calc R U . . .
C01M C 0.9329(2) 0.2318(2) 0.46827(16) 0.0434(7) Uani 1 1 d . . . . .
H01M H 0.975695 0.178664 0.451747 0.052 Uiso 1 1 calc R U . . .
C01N C 0.6390(2) 0.1777(2) 0.52604(14) 0.0345(6) Uani 1 1 d . . . . .
H01N H 0.649423 0.233109 0.489710 0.041 Uiso 1 1 calc R U . . .
C01O C 0.4650(2) 0.0433(2) 0.80160(16) 0.0345(6) Uani 1 1 d . . . . .
H01O H 0.478463 0.015490 0.761854 0.041 Uiso 1 1 calc R U . . .
C01P C 0.3422(2) 0.3847(2) 1.02860(14) 0.0343(6) Uani 1 1 d . . . . .
H01P H 0.278736 0.412836 1.046131 0.041 Uiso 1 1 calc R U . . .
C01Q C 0.8121(2) -0.1898(2) 0.95301(14) 0.0374(6) Uani 1 1 d . . . . .
H01Q H 0.801647 -0.253175 0.975002 0.045 Uiso 1 1 calc R U . . .
C10 C 0.97128(19) 0.4082(2) 0.66696(14) 0.0293(5) Uani 1 1 d . . . . .
C01S C 0.2818(2) 0.5772(2) 0.74869(16) 0.0371(6) Uani 1 1 d . . . . .
H01S H 0.277264 0.645007 0.743762 0.045 Uiso 1 1 calc R U . . .
C01T C 0.4391(2) -0.0131(2) 0.86912(17) 0.0372(6) Uani 1 1 d . . . . .
H01T H 0.436234 -0.079071 0.874599 0.045 Uiso 1 1 calc R U . . .
C01U C 1.0535(2) 0.0376(3) 0.80742(16) 0.0452(7) Uani 1 1 d . . . . .
H01U H 1.026857 -0.009521 0.796992 0.054 Uiso 1 1 calc R U . . .
C18 C 0.79235(19) 0.68860(19) 0.67573(14) 0.0292(5) Uani 1 1 d . . . . .
C3 C 0.63066(17) 0.38940(17) 0.78460(12) 0.0218(4) Uani 1 1 d . . . . .
H3 H 0.601464 0.453065 0.792277 0.026 Uiso 1 1 calc R U . . .
C13 C 0.7854(2) 0.6685(2) 0.75039(15) 0.0337(6) Uani 1 1 d . . . . .
C01Y C 0.9178(2) -0.0769(2) 0.92810(15) 0.0334(6) Uani 1 1 d . . . . .
H01Y H 0.977999 -0.064572 0.933501 0.040 Uiso 1 1 calc R U . . .
C16 C 0.8250(2) 0.8445(2) 0.66802(17) 0.0395(6) Uani 1 1 d . . . . .
H16 H 0.839377 0.904253 0.640854 0.047 Uiso 1 1 calc R U . . .
C020 C 0.7752(2) 0.2684(2) 1.04665(15) 0.0387(6) Uani 1 1 d . . . . .
H020 H 0.761414 0.296528 1.086252 0.046 Uiso 1 1 calc R U . . .
C021 C 0.4175(2) 0.0280(2) 0.92802(16) 0.0377(6) Uani 1 1 d . . . . .
H021 H 0.398444 -0.009582 0.972777 0.045 Uiso 1 1 calc R U . . .
C022 C 0.5142(2) 0.5487(2) 0.60408(14) 0.0394(7) Uani 1 1 d . . . . .
H022 H 0.518914 0.611627 0.605952 0.047 Uiso 1 1 calc R U . . .
C023 C 0.4230(2) 0.3543(2) 1.07270(15) 0.0406(7) Uani 1 1 d . . . . .
H023 H 0.413816 0.362429 1.119792 0.049 Uiso 1 1 calc R U . . .
C8 C 0.98945(18) 0.23732(19) 0.65679(14) 0.0285(5) Uani 1 1 d . . . . .
H8A H 0.979957 0.219500 0.613214 0.034 Uiso 1 1 calc R U . . .
H8B H 1.029419 0.178041 0.689562 0.034 Uiso 1 1 calc R U . . .
C025 C 0.8815(2) 0.4068(2) 0.46553(15) 0.0395(6) Uani 1 1 d . . . . .
H025 H 0.889685 0.471750 0.447165 0.047 Uiso 1 1 calc R U . . .
C026 C 0.9018(2) -0.1713(2) 0.96030(16) 0.0397(6) Uani 1 1 d . . . . .
H026 H 0.951630 -0.222377 0.986910 0.048 Uiso 1 1 calc R U . . .
C027 C 0.7916(3) 0.3269(2) 0.97790(16) 0.0431(7) Uani 1 1 d . . . . .
H027 H 0.788150 0.394778 0.971189 0.052 Uiso 1 1 calc R U . . .
C028 C 0.9446(2) 0.3284(3) 0.44122(16) 0.0433(7) Uani 1 1 d . . . . .
H028 H 0.995183 0.340287 0.406560 0.052 Uiso 1 1 calc R U . . .
C029 C 1.0351(2) 0.1807(3) 0.85488(19) 0.0527(9) Uani 1 1 d . . . . .
H029 H 0.995612 0.230747 0.876064 0.063 Uiso 1 1 calc R U . . .
C02A C 0.2091(2) 0.5501(2) 0.72137(16) 0.0410(7) Uani 1 1 d . . . . .
H02A H 0.155461 0.600114 0.698320 0.049 Uiso 1 1 calc R U . . .
C02B C 0.6039(3) 0.1062(2) 0.50840(15) 0.0458(8) Uani 1 1 d . . . . .
H02B H 0.590878 0.113468 0.460360 0.055 Uiso 1 1 calc R U . . .
C02C C 0.5324(2) 0.3004(2) 0.97664(14) 0.0358(6) Uani 1 1 d . . . . .
H02C H 0.596007 0.272210 0.959422 0.043 Uiso 1 1 calc R U . . .
C02D C 0.5882(3) 0.0239(2) 0.56234(16) 0.0430(7) Uani 1 1 d . . . . .
H02D H 0.565016 -0.024394 0.550352 0.052 Uiso 1 1 calc R U . . .
C02E C 0.2150(2) 0.4498(2) 0.72790(17) 0.0414(7) Uani 1 1 d . . . . .
H02E H 0.166131 0.432608 0.708691 0.050 Uiso 1 1 calc R U . . .
C02F C 0.4164(2) 0.4425(2) 0.59154(15) 0.0417(7) Uani 1 1 d . . . . .
H02F H 0.354796 0.434042 0.584944 0.050 Uiso 1 1 calc R U . . .
C02G C 0.5172(2) 0.3122(3) 1.04698(16) 0.0452(7) Uani 1 1 d . . . . .
H02G H 0.570949 0.291477 1.077070 0.054 Uiso 1 1 calc R U . . .
C14 C 0.7964(3) 0.7364(2) 0.78566(17) 0.0509(9) Uani 1 1 d . . . . .
H14 H 0.789644 0.723593 0.836106 0.061 Uiso 1 1 calc R U . . .
C02I C 1.1545(2) 0.0350(3) 0.7909(2) 0.0649(12) Uani 1 1 d . . . . .
H02I H 1.195165 -0.014209 0.769527 0.078 Uiso 1 1 calc R U . . .
C02J C 0.4235(2) 0.5357(2) 0.59416(15) 0.0448(8) Uani 1 1 d . . . . .
H02J H 0.366882 0.589866 0.589219 0.054 Uiso 1 1 calc R U . . .
C15 C 0.8179(3) 0.8243(2) 0.74340(18) 0.0502(8) Uani 1 1 d . . . . .
H15 H 0.827682 0.870652 0.765851 0.060 Uiso 1 1 calc R U . . .
C02L C 1.1359(3) 0.1751(4) 0.8385(3) 0.0781(14) Uani 1 1 d . . . . .
H02L H 1.163669 0.220618 0.850057 0.094 Uiso 1 1 calc R U . . .
C02M C 1.1939(3) 0.1051(4) 0.8062(3) 0.0812(16) Uani 1 1 d . . . . .
H02M H 1.260524 0.103963 0.794214 0.097 Uiso 1 1 calc R U . . .
C02O C 1.1716(4) -0.1126(4) 0.6325(3) 0.0845(15) Uani 1 1 d . . . . .
H02H H 1.204933 -0.162910 0.606331 0.101 Uiso 1 1 calc R U . . .
H02K H 1.222410 -0.090738 0.649435 0.101 Uiso 1 1 calc R 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 Cl1 2.4098(5) . ?
Os1 P2 2.4077(5) . ?
Os1 P1 2.4088(6) . ?
Os1 C1 1.842(2) . ?
Os1 C7 2.044(2) . ?
Os1 C4 2.111(2) . ?
P2 C00M 1.829(2) . ?
P2 C00S 1.826(2) . ?
P2 C00Y 1.831(2) . ?
P3 C2 1.779(2) . ?
P3 C00R 1.802(2) . ?
P3 C010 1.792(2) . ?
P3 C01B 1.790(2) . ?
P1 C00O 1.830(3) . ?
P1 C00U 1.830(3) . ?
P1 C014 1.828(2) . ?
P4 F3 1.6016(17) . ?
P4 F5 1.6006(18) . ?
P4 F1 1.595(2) . ?
P4 F6 1.604(2) . ?
P4 F2 1.588(2) . ?
P4 F4 1.587(2) . ?
Cl07 C02O 1.738(5) . ?
Cl00 C02O 1.779(5) . ?
O1 C10 1.223(3) . ?
O2 C11 1.207(3) . ?
N1 C5 1.430(3) . ?
N1 C11 1.427(3) . ?
N1 C12 1.395(3) . ?
O3 C12 1.201(3) . ?
C00M C00X 1.398(3) . ?
C00M C019 1.393(4) . ?
C2 C1 1.404(3) . ?
C2 C3 1.404(3) . ?
C00O C00T 1.399(3) . ?
C00O C017 1.399(4) . ?
C5 C6 1.397(3) . ?
C5 C4 1.397(3) . ?
C00R C011 1.396(4) . ?
C00R C01F 1.394(3) . ?
C00S C00V 1.391(3) . ?
C00S C01N 1.404(3) . ?
C00T H00T 0.9300 . ?
C00T C01L 1.389(4) . ?
C00U C01U 1.389(5) . ?
C00U C029 1.387(4) . ?
C00V H00V 0.9300 . ?
C00V C012 1.391(3) . ?
C6 C7 1.388(3) . ?
C6 C10 1.468(3) . ?
C00X H00X 0.9300 . ?
C00X C025 1.386(4) . ?
C00Y C013 1.393(4) . ?
C00Y C016 1.399(4) . ?
C7 C8 1.508(3) . ?
C010 C015 1.396(3) . ?
C010 C02C 1.390(4) . ?
C011 H011 0.9300 . ?
C011 C01O 1.386(4) . ?
C012 H012 0.9300 . ?
C012 C02D 1.384(4) . ?
C013 H013 0.9300 . ?
C013 C02F 1.388(4) . ?
C014 C01A 1.398(3) . ?
C014 C01Y 1.397(3) . ?
C015 H015 0.9300 . ?
C015 C01P 1.385(4) . ?
C016 H016 0.9300 . ?
C016 C022 1.394(4) . ?
C017 H017 0.9300 . ?
C017 C027 1.387(4) . ?
C4 C3 1.414(3) . ?
C019 H019 0.9300 . ?
C019 C01M 1.394(4) . ?
C01A H01A 0.9300 . ?
C01A C01E 1.390(4) . ?
C01B C01G 1.392(3) . ?
C01B C01H 1.396(4) . ?
C11 C18 1.480(4) . ?
C01E H01E 0.9300 . ?
C01E C01Q 1.380(4) . ?
C01F H01F 0.9300 . ?
C01F C021 1.392(4) . ?
C01G H01G 0.9300 . ?
C01G C02E 1.390(4) . ?
C01H H01H 0.9300 . ?
C01H C01S 1.387(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.511(4) . ?
C9 C8 1.543(4) . ?
C12 C13 1.482(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.387(4) . ?
C17 C16 1.377(4) . ?
C01L H01L 0.9300 . ?
C01L C020 1.382(4) . ?
C01M H01M 0.9300 . ?
C01M C028 1.381(5) . ?
C01N H01N 0.9300 . ?
C01N C02B 1.382(4) . ?
C01O H01O 0.9300 . ?
C01O C01T 1.388(4) . ?
C01P H01P 0.9300 . ?
C01P C023 1.386(4) . ?
C01Q H01Q 0.9300 . ?
C01Q C026 1.383(4) . ?
C01S H01S 0.9300 . ?
C01S C02A 1.384(4) . ?
C01T H01T 0.9300 . ?
C01T C021 1.377(4) . ?
C01U H01U 0.9300 . ?
C01U C02I 1.404(4) . ?
C18 C13 1.374(4) . ?
C3 H3 0.9300 . ?
C13 C14 1.375(4) . ?
C01Y H01Y 0.9300 . ?
C01Y C026 1.387(4) . ?
C16 H16 0.9300 . ?
C16 C15 1.388(4) . ?
C020 H020 0.9300 . ?
C020 C027 1.381(4) . ?
C021 H021 0.9300 . ?
C022 H022 0.9300 . ?
C022 C02J 1.374(5) . ?
C023 H023 0.9300 . ?
C023 C02G 1.379(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C025 H025 0.9300 . ?
C025 C028 1.373(5) . ?
C026 H026 0.9300 . ?
C027 H027 0.9300 . ?
C028 H028 0.9300 . ?
C029 H029 0.9300 . ?
C029 C02L 1.393(5) . ?
C02A H02A 0.9300 . ?
C02A C02E 1.382(5) . ?
C02B H02B 0.9300 . ?
C02B C02D 1.384(4) . ?
C02C H02C 0.9300 . ?
C02C C02G 1.387(4) . ?
C02D H02D 0.9300 . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02F C02J 1.377(5) . ?
C02G H02G 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.383(4) . ?
C02I H02I 0.9300 . ?
C02I C02M 1.379(7) . ?
C02J H02J 0.9300 . ?
C15 H15 0.9300 . ?
C02L H02L 0.9300 . ?
C02L C02M 1.343(7) . ?
C02M H02M 0.9300 . ?
C02O H02H 0.9700 . ?
C02O H02K 0.9700 . ?

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
P2 Os1 Cl1 85.558(19) . . ?
P2 Os1 P1 168.52(2) . . ?
P1 Os1 Cl1 83.39(2) . . ?
C1 Os1 Cl1 121.88(7) . . ?
C1 Os1 P2 90.71(7) . . ?
C1 Os1 P1 92.49(7) . . ?
C1 Os1 C7 148.21(10) . . ?
C1 Os1 C4 72.32(9) . . ?
C7 Os1 Cl1 89.87(7) . . ?
C7 Os1 P2 90.45(6) . . ?
C7 Os1 P1 92.62(6) . . ?
C7 Os1 C4 75.89(9) . . ?
C4 Os1 Cl1 165.64(6) . . ?
C4 Os1 P2 92.54(6) . . ?
C4 Os1 P1 98.93(6) . . ?
C00M P2 Os1 112.53(8) . . ?
C00M P2 C00Y 107.61(11) . . ?
C00S P2 Os1 114.08(8) . . ?
C00S P2 C00M 103.03(11) . . ?
C00S P2 C00Y 103.20(11) . . ?
C00Y P2 Os1 115.26(7) . . ?
C2 P3 C00R 106.52(11) . . ?
C2 P3 C010 111.32(11) . . ?
C2 P3 C01B 112.90(11) . . ?
C010 P3 C00R 109.11(11) . . ?
C01B P3 C00R 110.68(11) . . ?
C01B P3 C010 106.32(11) . . ?
C00O P1 Os1 118.92(8) . . ?
C00U P1 Os1 112.26(8) . . ?
C00U P1 C00O 104.26(12) . . ?
C014 P1 Os1 112.68(8) . . ?
C014 P1 C00O 102.22(11) . . ?
C014 P1 C00U 105.11(12) . . ?
F3 P4 F6 89.88(11) . . ?
F5 P4 F3 179.52(12) . . ?
F5 P4 F6 89.91(11) . . ?
F1 P4 F3 90.28(10) . . ?
F1 P4 F5 89.92(10) . . ?
F1 P4 F6 178.78(16) . . ?
F2 P4 F3 89.62(10) . . ?
F2 P4 F5 89.95(12) . . ?
F2 P4 F1 90.16(13) . . ?
F2 P4 F6 88.63(14) . . ?
F4 P4 F3 90.35(11) . . ?
F4 P4 F5 90.08(12) . . ?
F4 P4 F1 90.40(14) . . ?
F4 P4 F6 90.82(15) . . ?
F4 P4 F2 179.44(16) . . ?
C11 N1 C5 120.8(2) . . ?
C12 N1 C5 123.7(2) . . ?
C12 N1 C11 110.7(2) . . ?
C00X C00M P2 121.76(19) . . ?
C019 C00M P2 118.78(19) . . ?
C019 C00M C00X 119.1(2) . . ?
C1 C2 P3 123.15(17) . . ?
C1 C2 C3 108.44(19) . . ?
C3 C2 P3 128.37(18) . . ?
C00T C00O P1 122.09(19) . . ?
C00T C00O C017 118.4(2) . . ?
C017 C00O P1 119.51(19) . . ?
C2 C1 Os1 130.53(17) . . ?
C6 C5 N1 119.7(2) . . ?
C4 C5 N1 126.7(2) . . ?
C4 C5 C6 113.5(2) . . ?
C011 C00R P3 120.03(18) . . ?
C01F C00R P3 120.14(19) . . ?
C01F C00R C011 119.8(2) . . ?
C00V C00S P2 121.64(18) . . ?
C00V C00S C01N 118.9(2) . . ?
C01N C00S P2 119.44(18) . . ?
C00O C00T H00T 119.8 . . ?
C01L C00T C00O 120.3(2) . . ?
C01L C00T H00T 119.8 . . ?
C01U C00U P1 120.0(2) . . ?
C029 C00U P1 120.1(2) . . ?
C029 C00U C01U 119.4(3) . . ?
C00S C00V H00V 119.8 . . ?
C012 C00V C00S 120.4(2) . . ?
C012 C00V H00V 119.8 . . ?
C5 C6 C10 132.2(2) . . ?
C7 C6 C5 115.6(2) . . ?
C7 C6 C10 112.1(2) . . ?
C00M C00X H00X 120.0 . . ?
C025 C00X C00M 120.0(3) . . ?
C025 C00X H00X 120.0 . . ?
C013 C00Y P2 120.2(2) . . ?
C013 C00Y C016 118.5(2) . . ?
C016 C00Y P2 121.20(19) . . ?
C6 C7 Os1 118.28(17) . . ?
C6 C7 C8 109.2(2) . . ?
C8 C7 Os1 132.55(18) . . ?
C015 C010 P3 118.45(19) . . ?
C02C C010 P3 121.08(19) . . ?
C02C C010 C015 120.2(2) . . ?
C00R C011 H011 120.1 . . ?
C01O C011 C00R 119.8(2) . . ?
C01O C011 H011 120.1 . . ?
C00V C012 H012 120.1 . . ?
C02D C012 C00V 119.9(2) . . ?
C02D C012 H012 120.1 . . ?
C00Y C013 H013 119.8 . . ?
C02F C013 C00Y 120.4(3) . . ?
C02F C013 H013 119.8 . . ?
C01A C014 P1 119.59(18) . . ?
C01Y C014 P1 121.0(2) . . ?
C01Y C014 C01A 119.3(2) . . ?
C010 C015 H015 120.1 . . ?
C01P C015 C010 119.8(2) . . ?
C01P C015 H015 120.1 . . ?
C00Y C016 H016 119.8 . . ?
C022 C016 C00Y 120.5(3) . . ?
C022 C016 H016 119.8 . . ?
C00O C017 H017 119.7 . . ?
C027 C017 C00O 120.7(3) . . ?
C027 C017 H017 119.7 . . ?
C5 C4 Os1 116.62(17) . . ?
C5 C4 C3 125.0(2) . . ?
C3 C4 Os1 118.23(16) . . ?
C00M C019 H019 120.0 . . ?
C00M C019 C01M 120.0(3) . . ?
C01M C019 H019 120.0 . . ?
C014 C01A H01A 120.0 . . ?
C01E C01A C014 120.1(2) . . ?
C01E C01A H01A 120.0 . . ?
C01G C01B P3 121.3(2) . . ?
C01G C01B C01H 120.2(2) . . ?
C01H C01B P3 118.35(19) . . ?
O2 C11 N1 124.5(2) . . ?
O2 C11 C18 129.8(2) . . ?
N1 C11 C18 105.7(2) . . ?
C01A C01E H01E 120.0 . . ?
C01Q C01E C01A 120.1(3) . . ?
C01Q C01E H01E 120.0 . . ?
C00R C01F H01F 120.1 . . ?
C021 C01F C00R 119.8(3) . . ?
C021 C01F H01F 120.1 . . ?
C01B C01G H01G 120.2 . . ?
C02E C01G C01B 119.6(3) . . ?
C02E C01G H01G 120.2 . . ?
C01B C01H H01H 120.1 . . ?
C01S C01H C01B 119.8(3) . . ?
C01S C01H H01H 120.1 . . ?
H9A C9 H9B 108.7 . . ?
C10 C9 H9A 110.5 . . ?
C10 C9 H9B 110.5 . . ?
C10 C9 C8 106.1(2) . . ?
C8 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
N1 C12 C13 106.2(2) . . ?
O3 C12 N1 124.3(2) . . ?
O3 C12 C13 129.4(3) . . ?
C18 C17 H17 121.5 . . ?
C16 C17 H17 121.5 . . ?
C16 C17 C18 117.1(3) . . ?
C00T C01L H01L 119.7 . . ?
C020 C01L C00T 120.7(3) . . ?
C020 C01L H01L 119.7 . . ?
C019 C01M H01M 119.9 . . ?
C028 C01M C019 120.2(3) . . ?
C028 C01M H01M 119.9 . . ?
C00S C01N H01N 119.7 . . ?
C02B C01N C00S 120.5(2) . . ?
C02B C01N H01N 119.7 . . ?
C011 C01O H01O 120.0 . . ?
C011 C01O C01T 120.0(3) . . ?
C01T C01O H01O 120.0 . . ?
C015 C01P H01P 120.1 . . ?
C015 C01P C023 119.9(3) . . ?
C023 C01P H01P 120.1 . . ?
C01E C01Q H01Q 119.8 . . ?
C01E C01Q C026 120.3(2) . . ?
C026 C01Q H01Q 119.8 . . ?
O1 C10 C6 126.8(3) . . ?
O1 C10 C9 126.6(2) . . ?
C6 C10 C9 106.5(2) . . ?
C01H C01S H01S 120.2 . . ?
C02A C01S C01H 119.6(3) . . ?
C02A C01S H01S 120.2 . . ?
C01O C01T H01T 119.8 . . ?
C021 C01T C01O 120.4(3) . . ?
C021 C01T H01T 119.8 . . ?
C00U C01U H01U 120.4 . . ?
C00U C01U C02I 119.2(4) . . ?
C02I C01U H01U 120.4 . . ?
C17 C18 C11 129.8(2) . . ?
C13 C18 C11 108.5(2) . . ?
C13 C18 C17 121.7(2) . . ?
C2 C3 C4 110.4(2) . . ?
C2 C3 H3 124.8 . . ?
C4 C3 H3 124.8 . . ?
C18 C13 C12 108.9(2) . . ?
C18 C13 C14 121.3(3) . . ?
C14 C13 C12 129.8(3) . . ?
C014 C01Y H01Y 120.0 . . ?
C026 C01Y C014 120.0(3) . . ?
C026 C01Y H01Y 120.0 . . ?
C17 C16 H16 119.4 . . ?
C17 C16 C15 121.3(3) . . ?
C15 C16 H16 119.4 . . ?
C01L C020 H020 120.2 . . ?
C027 C020 C01L 119.5(3) . . ?
C027 C020 H020 120.2 . . ?
C01F C021 H021 119.9 . . ?
C01T C021 C01F 120.2(3) . . ?
C01T C021 H021 119.9 . . ?
C016 C022 H022 120.0 . . ?
C02J C022 C016 120.1(3) . . ?
C02J C022 H022 120.0 . . ?
C01P C023 H023 119.9 . . ?
C02G C023 C01P 120.2(3) . . ?
C02G C023 H023 119.9 . . ?
C7 C8 C9 105.7(2) . . ?
C7 C8 H8A 110.6 . . ?
C7 C8 H8B 110.6 . . ?
C9 C8 H8A 110.6 . . ?
C9 C8 H8B 110.6 . . ?
H8A C8 H8B 108.7 . . ?
C00X C025 H025 119.6 . . ?
C028 C025 C00X 120.7(3) . . ?
C028 C025 H025 119.6 . . ?
C01Q C026 C01Y 120.2(3) . . ?
C01Q C026 H026 119.9 . . ?
C01Y C026 H026 119.9 . . ?
C017 C027 H027 119.8 . . ?
C020 C027 C017 120.4(3) . . ?
C020 C027 H027 119.8 . . ?
C01M C028 H028 120.0 . . ?
C025 C028 C01M 120.0(3) . . ?
C025 C028 H028 120.0 . . ?
C00U C029 H029 120.1 . . ?
C00U C029 C02L 119.7(4) . . ?
C02L C029 H029 120.1 . . ?
C01S C02A H02A 119.5 . . ?
C02E C02A C01S 120.9(3) . . ?
C02E C02A H02A 119.5 . . ?
C01N C02B H02B 120.1 . . ?
C01N C02B C02D 119.9(3) . . ?
C02D C02B H02B 120.1 . . ?
C010 C02C H02C 120.4 . . ?
C02G C02C C010 119.2(3) . . ?
C02G C02C H02C 120.4 . . ?
C012 C02D H02D 119.8 . . ?
C02B C02D C012 120.4(3) . . ?
C02B C02D H02D 119.8 . . ?
C01G C02E H02E 120.1 . . ?
C02A C02E C01G 119.9(3) . . ?
C02A C02E H02E 120.1 . . ?
C013 C02F H02F 119.7 . . ?
C02J C02F C013 120.5(3) . . ?
C02J C02F H02F 119.7 . . ?
C023 C02G C02C 120.6(3) . . ?
C023 C02G H02G 119.7 . . ?
C02C C02G H02G 119.7 . . ?
C13 C14 H14 121.2 . . ?
C13 C14 C15 117.6(3) . . ?
C15 C14 H14 121.2 . . ?
C01U C02I H02I 119.8 . . ?
C02M C02I C01U 120.4(4) . . ?
C02M C02I H02I 119.8 . . ?
C022 C02J C02F 120.1(3) . . ?
C022 C02J H02J 120.0 . . ?
C02F C02J H02J 120.0 . . ?
C16 C15 H15 119.5 . . ?
C14 C15 C16 121.1(3) . . ?
C14 C15 H15 119.5 . . ?
C029 C02L H02L 119.4 . . ?
C02M C02L C029 121.2(4) . . ?
C02M C02L H02L 119.4 . . ?
C02I C02M H02M 120.0 . . ?
C02L C02M C02I 120.0(3) . . ?
C02L C02M H02M 120.0 . . ?
Cl07 C02O Cl00 111.1(3) . . ?
Cl07 C02O H02H 109.4 . . ?
Cl07 C02O H02K 109.4 . . ?
Cl00 C02O H02H 109.4 . . ?
Cl00 C02O H02K 109.4 . . ?
H02H C02O H02K 108.0 . . ?

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 P2 C00M C00X -90.9(2) . . . . ?
Os1 P2 C00M C019 82.3(2) . . . . ?
Os1 P2 C00S C00V 17.8(2) . . . . ?
Os1 P2 C00S C01N -163.86(19) . . . . ?
Os1 P2 C00Y C013 -114.36(18) . . . . ?
Os1 P2 C00Y C016 62.5(2) . . . . ?
Os1 P1 C00O C00T 133.31(18) . . . . ?
Os1 P1 C00O C017 -48.9(2) . . . . ?
Os1 P1 C00U C01U -76.1(2) . . . . ?
Os1 P1 C00U C029 95.8(2) . . . . ?
Os1 P1 C014 C01A -36.4(2) . . . . ?
Os1 P1 C014 C01Y 148.47(19) . . . . ?
Os1 C7 C8 C9 -178.82(18) . . . . ?
Os1 C4 C3 C2 1.7(3) . . . . ?
Cl1 Os1 C1 C2 -176.18(17) . . . . ?
P2 Os1 C1 C2 -91.0(2) . . . . ?
P2 C00M C00X C025 173.3(2) . . . . ?
P2 C00M C019 C01M -173.5(2) . . . . ?
P2 C00S C00V C012 178.6(2) . . . . ?
P2 C00S C01N C02B -178.9(3) . . . . ?
P2 C00Y C013 C02F 178.15(19) . . . . ?
P2 C00Y C016 C022 -178.15(19) . . . . ?
P3 C2 C1 Os1 176.89(12) . . . . ?
P3 C2 C3 C4 -178.34(17) . . . . ?
P3 C00R C011 C01O 177.0(2) . . . . ?
P3 C00R C01F C021 -177.7(2) . . . . ?
P3 C010 C015 C01P 174.7(2) . . . . ?
P3 C010 C02C C02G -174.3(2) . . . . ?
P3 C01B C01G C02E 174.7(2) . . . . ?
P3 C01B C01H C01S -174.3(2) . . . . ?
P1 Os1 C1 C2 100.1(2) . . . . ?
P1 C00O C00T C01L 176.6(2) . . . . ?
P1 C00O C017 C027 -175.4(2) . . . . ?
P1 C00U C01U C02I 171.6(2) . . . . ?
P1 C00U C029 C02L -172.4(3) . . . . ?
P1 C014 C01A C01E -175.0(2) . . . . ?
P1 C014 C01Y C026 175.4(2) . . . . ?
O2 C11 C18 C17 -2.2(5) . . . . ?
O2 C11 C18 C13 -178.7(3) . . . . ?
N1 C5 C6 C7 -173.4(2) . . . . ?
N1 C5 C6 C10 11.1(4) . . . . ?
N1 C5 C4 Os1 173.09(18) . . . . ?
N1 C5 C4 C3 -2.9(4) . . . . ?
N1 C11 C18 C17 177.0(3) . . . . ?
N1 C11 C18 C13 0.5(3) . . . . ?
N1 C12 C13 C18 -2.1(3) . . . . ?
N1 C12 C13 C14 -177.9(3) . . . . ?
O3 C12 C13 C18 175.8(3) . . . . ?
O3 C12 C13 C14 0.0(6) . . . . ?
C00M P2 C00S C00V 140.1(2) . . . . ?
C00M P2 C00S C01N -41.6(2) . . . . ?
C00M P2 C00Y C013 119.2(2) . . . . ?
C00M P2 C00Y C016 -64.0(2) . . . . ?
C00M C00X C025 C028 0.0(4) . . . . ?
C00M C019 C01M C028 0.1(5) . . . . ?
C2 P3 C00R C011 -51.9(2) . . . . ?
C2 P3 C00R C01F 126.5(2) . . . . ?
C2 P3 C010 C015 154.07(19) . . . . ?
C2 P3 C010 C02C -31.9(3) . . . . ?
C2 P3 C01B C01G 118.8(2) . . . . ?
C2 P3 C01B C01H -65.4(2) . . . . ?
C00O P1 C00U C01U 153.9(2) . . . . ?
C00O P1 C00U C029 -34.2(3) . . . . ?
C00O P1 C014 C01A 92.4(2) . . . . ?
C00O P1 C014 C01Y -82.7(2) . . . . ?
C00O C00T C01L C020 -1.0(4) . . . . ?
C00O C017 C027 C020 -1.6(5) . . . . ?
C1 C2 C3 C4 -0.7(3) . . . . ?
C5 N1 C11 O2 21.0(4) . . . . ?
C5 N1 C11 C18 -158.2(2) . . . . ?
C5 N1 C12 O3 -20.1(5) . . . . ?
C5 N1 C12 C13 157.9(2) . . . . ?
C5 C6 C7 Os1 -1.7(3) . . . . ?
C5 C6 C7 C8 178.1(2) . . . . ?
C5 C6 C10 O1 6.1(4) . . . . ?
C5 C6 C10 C9 -177.0(3) . . . . ?
C5 C4 C3 C2 177.7(2) . . . . ?
C00R P3 C2 C1 1.7(2) . . . . ?
C00R P3 C2 C3 179.1(2) . . . . ?
C00R P3 C010 C015 -88.7(2) . . . . ?
C00R P3 C010 C02C 85.4(2) . . . . ?
C00R P3 C01B C01G -0.4(2) . . . . ?
C00R P3 C01B C01H 175.28(19) . . . . ?
C00R C011 C01O C01T 0.6(4) . . . . ?
C00R C01F C021 C01T 0.9(4) . . . . ?
C00S P2 C00M C00X 145.7(2) . . . . ?
C00S P2 C00M C019 -41.0(2) . . . . ?
C00S P2 C00Y C013 10.7(2) . . . . ?
C00S P2 C00Y C016 -172.47(19) . . . . ?
C00S C00V C012 C02D 0.3(4) . . . . ?
C00S C01N C02B C02D 0.1(5) . . . . ?
C00T C00O C017 C027 2.4(4) . . . . ?
C00T C01L C020 C027 1.9(4) . . . . ?
C00U P1 C00O C00T -100.8(2) . . . . ?
C00U P1 C00O C017 77.0(2) . . . . ?
C00U P1 C014 C01A -158.9(2) . . . . ?
C00U P1 C014 C01Y 25.9(2) . . . . ?
C00U C01U C02I C02M -0.2(5) . . . . ?
C00U C029 C02L C02M 1.7(6) . . . . ?
C00V C00S C01N C02B -0.5(4) . . . . ?
C00V C012 C02D C02B -0.7(5) . . . . ?
C6 C5 C4 Os1 -3.2(3) . . . . ?
C6 C5 C4 C3 -179.2(2) . . . . ?
C6 C7 C8 C9 1.5(3) . . . . ?
C00X C00M C019 C01M -0.1(4) . . . . ?
C00X C025 C028 C01M 0.0(5) . . . . ?
C00Y P2 C00M C00X 37.1(2) . . . . ?
C00Y P2 C00M C019 -149.7(2) . . . . ?
C00Y P2 C00S C00V -108.0(2) . . . . ?
C00Y P2 C00S C01N 70.3(2) . . . . ?
C00Y C013 C02F C02J -0.5(4) . . . . ?
C00Y C016 C022 C02J 0.6(4) . . . . ?
C7 Os1 C1 C2 1.0(3) . . . . ?
C7 C6 C10 O1 -169.5(2) . . . . ?
C7 C6 C10 C9 7.4(3) . . . . ?
C010 P3 C2 C1 120.56(19) . . . . ?
C010 P3 C2 C3 -62.1(2) . . . . ?
C010 P3 C00R C011 -172.15(19) . . . . ?
C010 P3 C00R C01F 6.2(2) . . . . ?
C010 P3 C01B C01G -118.8(2) . . . . ?
C010 P3 C01B C01H 56.9(2) . . . . ?
C010 C015 C01P C023 -0.3(4) . . . . ?
C010 C02C C02G C023 -0.3(5) . . . . ?
C011 C00R C01F C021 0.6(4) . . . . ?
C011 C01O C01T C021 1.0(4) . . . . ?
C013 C00Y C016 C022 -1.2(3) . . . . ?
C013 C02F C02J C022 -0.2(4) . . . . ?
C014 P1 C00O C00T 8.5(2) . . . . ?
C014 P1 C00O C017 -173.7(2) . . . . ?
C014 P1 C00U C01U 46.8(2) . . . . ?
C014 P1 C00U C029 -141.4(2) . . . . ?
C014 C01A C01E C01Q -0.3(4) . . . . ?
C014 C01Y C026 C01Q -0.6(4) . . . . ?
C015 C010 C02C C02G -0.3(4) . . . . ?
C015 C01P C023 C02G -0.2(5) . . . . ?
C016 C00Y C013 C02F 1.2(4) . . . . ?
C016 C022 C02J C02F 0.1(4) . . . . ?
C017 C00O C00T C01L -1.2(4) . . . . ?
C4 Os1 C1 C2 1.5(2) . . . . ?
C4 C5 C6 C7 3.2(3) . . . . ?
C4 C5 C6 C10 -172.3(2) . . . . ?
C019 C00M C00X C025 0.1(4) . . . . ?
C019 C01M C028 C025 0.0(5) . . . . ?
C01A C014 C01Y C026 0.3(4) . . . . ?
C01A C01E C01Q C026 0.0(4) . . . . ?
C01B P3 C2 C1 -119.95(19) . . . . ?
C01B P3 C2 C3 57.4(2) . . . . ?
C01B P3 C00R C011 71.2(2) . . . . ?
C01B P3 C00R C01F -110.4(2) . . . . ?
C01B P3 C010 C015 30.7(2) . . . . ?
C01B P3 C010 C02C -155.2(2) . . . . ?
C01B C01G C02E C02A -0.3(4) . . . . ?
C01B C01H C01S C02A -0.9(4) . . . . ?
C11 N1 C5 C6 48.0(3) . . . . ?
C11 N1 C5 C4 -128.2(3) . . . . ?
C11 N1 C12 O3 -175.6(3) . . . . ?
C11 N1 C12 C13 2.4(3) . . . . ?
C11 C18 C13 C12 1.0(3) . . . . ?
C11 C18 C13 C14 177.2(3) . . . . ?
C01E C01Q C026 C01Y 0.4(4) . . . . ?
C01F C00R C011 C01O -1.4(4) . . . . ?
C01G C01B C01H C01S 1.5(4) . . . . ?
C01H C01B C01G C02E -1.0(4) . . . . ?
C01H C01S C02A C02E -0.4(4) . . . . ?
C12 N1 C5 C6 -105.3(3) . . . . ?
C12 N1 C5 C4 78.6(3) . . . . ?
C12 N1 C11 O2 177.4(3) . . . . ?
C12 N1 C11 C18 -1.8(3) . . . . ?
C12 C13 C14 C15 173.4(3) . . . . ?
C17 C18 C13 C12 -175.9(3) . . . . ?
C17 C18 C13 C14 0.4(5) . . . . ?
C17 C16 C15 C14 -0.2(6) . . . . ?
C01L C020 C027 C017 -0.6(5) . . . . ?
C01N C00S C00V C012 0.3(4) . . . . ?
C01N C02B C02D C012 0.4(5) . . . . ?
C01O C01T C021 C01F -1.7(4) . . . . ?
C01P C023 C02G C02C 0.6(5) . . . . ?
C10 C6 C7 Os1 174.68(16) . . . . ?
C10 C6 C7 C8 -5.5(3) . . . . ?
C10 C9 C8 C7 2.9(3) . . . . ?
C01S C02A C02E C01G 0.9(5) . . . . ?
C01U C00U C029 C02L -0.4(5) . . . . ?
C01U C02I C02M C02L 1.4(6) . . . . ?
C18 C17 C16 C15 -1.5(5) . . . . ?
C18 C13 C14 C15 -2.0(5) . . . . ?
C3 C2 C1 Os1 -0.9(3) . . . . ?
C13 C14 C15 C16 1.9(6) . . . . ?
C01Y C014 C01A C01E 0.2(4) . . . . ?
C16 C17 C18 C11 -174.7(3) . . . . ?
C16 C17 C18 C13 1.4(4) . . . . ?
C8 C9 C10 O1 170.9(3) . . . . ?
C8 C9 C10 C6 -6.0(3) . . . . ?
C029 C00U C01U C02I -0.3(4) . . . . ?
C029 C02L C02M C02I -2.1(7) . . . . ?
C02C C010 C015 C01P 0.6(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 0.500 0.000 254.8 75.6 '2 CH2Cl2'
2 0.304 0.193 0.575 112.3 39.6 '1 CH2Cl2'
3 0.696 0.807 0.425 112.3 39.6 '1 CH2Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.305
_oxdiff_exptl_absorpt_empirical_full_min 0.750
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 2054286'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-07 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C68 H54 Cl N O3 Os P3, F6 P'
_chemical_formula_sum            'C68 H54 Cl F6 N O3 Os P4'
_chemical_formula_weight         1396.65
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Os P3 C64 O Cl'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   13.8668(2)
_cell_length_b                   14.0860(2)
_cell_length_c                   19.4128(3)
_cell_angle_alpha                85.6910(10)
_cell_angle_beta                 73.941(2)
_cell_angle_gamma                75.2440(10)
_cell_volume                     3523.67(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    38033
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      31.7350
_cell_measurement_theta_min      2.1320
_shelx_estimated_absorpt_T_max   0.825
_shelx_estimated_absorpt_T_min   0.825
_exptl_absorpt_coefficient_mu    1.996
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.1
_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  0.0722
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            65977
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.956
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     14.00  54.00   0.50   10.00    --    8.34-121.00-108.00   80
  2  ω    -26.00  16.00   0.50   10.00    --   -6.46 -99.00-150.00   84
  3  ω    -26.00  39.00   0.50   10.00    --    8.34 -99.00 -90.00  130
  4  ω    -24.00  27.00   0.50   10.00    --   -6.46 -99.00 -60.00  102
  5  ω    -25.00  42.00   0.50   10.00    --    8.34 -99.00   0.00  134
  6  ω     39.00  68.00   0.50   10.00    --    8.34-152.00  91.00   58
  7  ω    -25.00  12.00   0.50   10.00    --   -6.46 -99.00  90.00   74
  8  ω    -22.00  42.00   0.50   10.00    --    8.34 -99.00 150.00  128
  9  ω     43.00  71.00   0.50   10.00    --    8.34  37.00 150.00   56
 10  ω    -21.00  60.00   0.50   10.00    --   -6.46  57.00  60.00  162
 11  ω     54.00  81.00   0.50   10.00    --    8.34  57.00 -30.00   54
 12  ω      5.00  30.00   0.50   10.00    --    8.34  57.00 -30.00   50
 13  ω    -67.00 -37.00   0.50   10.00    --    8.34 -19.00  60.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0415596000
_diffrn_orient_matrix_UB_12      -0.0402600000
_diffrn_orient_matrix_UB_13      -0.0148662000
_diffrn_orient_matrix_UB_21      0.0058825000
_diffrn_orient_matrix_UB_22      -0.0140041000
_diffrn_orient_matrix_UB_23      0.0347585000
_diffrn_orient_matrix_UB_31      -0.0353681000
_diffrn_orient_matrix_UB_32      -0.0299100000
_diffrn_orient_matrix_UB_33      0.0040688000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14494
_reflns_number_total             16167
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.188
_refine_diff_density_min         -1.614
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         16167
_refine_ls_number_restraints     688
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.000
_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)+(0.0412P)²+9.7438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1023
_refine_ls_wR_factor_ref         0.1042
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C13(H13A,H13B), C8(H8A,H8B), C14(H14A,H14B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C00R(H00R), C00T(H00T), C00W(H00W), C00Y(H00Y), C00Z(H00Z),
 C011(H011), C012(H012), C013(H013), C016(H016), C018(H018), C01A(H01A),
 C01B(H01B), C01D(H01D), C01E(H01E), C01G(H01G), C01I(H01I), C01K(H01K),
 C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q),
 C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W),
 C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022),
 C024(H024), C025(H025), C026(H026), C028(H028), C02A(H02A), C02C(H02C),
 C02D(H02D), C02E(H02E), C02F(H02F), C02H(H02H)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.77750(2) 0.23415(2) 0.26120(2) 0.02200(5) Uani 1 1 d . . . . .
P3 P 0.69527(7) 0.53473(7) 0.15203(5) 0.02255(19) Uani 1 1 d . . . . .
Cl1 Cl 0.92906(8) 0.15060(7) 0.29949(5) 0.0323(2) Uani 1 1 d . . . . .
P2 P 0.72380(7) 0.31383(7) 0.37557(5) 0.02246(19) Uani 1 1 d . . . . .
P1 P 0.86967(8) 0.14545(7) 0.15134(5) 0.0269(2) Uani 1 1 d . . . . .
P4 P 0.21648(10) 0.57216(11) 0.26768(7) 0.0430(3) Uani 1 1 d . . . . .
F2 F 0.3320(2) 0.5018(2) 0.25055(16) 0.0511(7) Uani 1 1 d . . . . .
F1 F 0.1890(2) 0.5042(2) 0.21638(17) 0.0535(8) Uani 1 1 d . . . . .
F6 F 0.2445(3) 0.6363(3) 0.31988(17) 0.0593(8) Uani 1 1 d . . . . .
N1 N 0.4538(3) 0.2470(3) 0.27045(19) 0.0358(8) Uani 1 1 d . . . . .
O3 O 0.4720(3) 0.2310(3) 0.15087(17) 0.0542(10) Uani 1 1 d . . . . .
C2 C 0.6889(3) 0.4188(3) 0.19418(19) 0.0232(7) Uani 1 1 d . . . . .
C5 C 0.5605(3) 0.2225(3) 0.2696(2) 0.0284(8) Uani 1 1 d . . . . .
C6 C 0.6046(3) 0.1357(3) 0.3006(2) 0.0312(9) Uani 1 1 d . . . . .
O1 O 0.4853(3) 0.0309(3) 0.3269(2) 0.0558(10) Uani 1 1 d . . . . .
O2 O 0.3915(3) 0.2476(4) 0.3937(2) 0.0740(15) Uani 1 1 d . . . . .
F3 F 0.1818(3) 0.5036(3) 0.33383(18) 0.0801(12) Uani 1 1 d . . . . .
C1 C 0.7704(3) 0.3542(3) 0.21509(19) 0.0229(8) Uani 1 1 d . . . . .
C00K C 0.6170(3) 0.4236(3) 0.38724(19) 0.0270(8) Uani 1 1 d . . . . .
C00L C 0.8179(3) 0.1781(3) 0.0742(2) 0.0297(9) Uani 1 1 d . . . . .
C00M C 0.8257(3) 0.5470(3) 0.1368(2) 0.0262(8) Uani 1 1 d . . . . .
C00N C 0.6929(3) 0.2289(3) 0.4494(2) 0.0290(8) Uani 1 1 d . . . . .
C3 C 0.6051(3) 0.3751(3) 0.2121(2) 0.0264(8) Uani 1 1 d . . . . .
H3 H 0.541193 0.403897 0.203495 0.032 Uiso 1 1 calc R U . . .
C7 C 0.7042(3) 0.1251(3) 0.30425(19) 0.0268(8) Uani 1 1 d . . . . .
F5 F 0.2516(4) 0.6398(3) 0.20210(19) 0.0826(12) Uani 1 1 d . . . . .
C00R C 0.9116(3) 0.3726(3) 0.3422(2) 0.0282(8) Uani 1 1 d . . . . .
H00R H 0.920607 0.355389 0.295106 0.034 Uiso 1 1 calc R U . . .
C00S C 0.6631(3) 0.5408(3) 0.0681(2) 0.0282(8) Uani 1 1 d . . . . .
C00T C 0.4385(4) 0.5014(4) 0.3930(2) 0.0430(11) Uani 1 1 d . . . . .
H00T H 0.372909 0.496409 0.392910 0.052 Uiso 1 1 calc R U . . .
C00U C 0.8840(4) 0.0118(3) 0.1593(2) 0.0414(12) Uani 1 1 d . . . . .
C12 C 0.4168(3) 0.2469(3) 0.2105(2) 0.0366(10) Uani 1 1 d . . . . .
C00W C 0.7147(4) 0.1818(3) 0.0816(2) 0.0355(10) Uani 1 1 d . . . . .
H00W H 0.671752 0.173256 0.126580 0.043 Uiso 1 1 calc R U . . .
C4 C 0.6285(3) 0.2831(3) 0.24425(19) 0.0247(8) Uani 1 1 d . . . . .
C00Y C 0.5185(3) 0.4183(4) 0.3855(2) 0.0347(10) Uani 1 1 d . . . . .
H00Y H 0.506798 0.357761 0.379219 0.042 Uiso 1 1 calc R U . . .
C00Z C 0.8731(3) 0.5273(3) 0.1927(2) 0.0308(9) Uani 1 1 d . . . . .
H00Z H 0.838161 0.506878 0.237193 0.037 Uiso 1 1 calc R U . . .
C010 C 0.8251(3) 0.3587(3) 0.3958(2) 0.0288(8) Uani 1 1 d . . . . .
C011 C 0.8772(3) 0.5792(3) 0.0705(2) 0.0317(9) Uani 1 1 d . . . . .
H011 H 0.845357 0.592689 0.033351 0.038 Uiso 1 1 calc R U . . .
C012 C 0.5947(4) 0.2109(4) 0.4738(2) 0.0375(10) Uani 1 1 d . . . . .
H012 H 0.540391 0.247266 0.456205 0.045 Uiso 1 1 calc R U . . .
C013 C 0.8808(4) 0.1929(3) 0.0056(2) 0.0332(9) Uani 1 1 d . . . . .
H013 H 0.949987 0.191623 -0.000277 0.040 Uiso 1 1 calc R U . . .
C014 C 1.0027(3) 0.1592(3) 0.1188(2) 0.0302(9) Uani 1 1 d . . . . .
F4 F 0.1014(3) 0.6379(4) 0.2849(3) 0.1082(18) Uani 1 1 d . . . . .
C016 C 0.6333(3) 0.5152(3) 0.3946(2) 0.0356(10) Uani 1 1 d . . . . .
H016 H 0.698837 0.520395 0.394620 0.043 Uiso 1 1 calc R U . . .
C017 C 0.6092(3) 0.6364(3) 0.2043(2) 0.0300(8) Uani 1 1 d . . . . .
C018 C 1.0246(3) 0.2477(3) 0.1295(2) 0.0322(9) Uani 1 1 d . . . . .
H018 H 0.972423 0.298149 0.154840 0.039 Uiso 1 1 calc R U . . .
C01A C 0.9473(5) -0.0437(4) 0.1987(3) 0.0537(14) Uani 1 1 d . . . . .
H01A H 0.987006 -0.014661 0.218083 0.064 Uiso 1 1 calc R U . . .
C01B C 0.6749(4) 0.1982(4) 0.0221(3) 0.0452(12) Uani 1 1 d . . . . .
H01B H 0.605381 0.200971 0.027868 0.054 Uiso 1 1 calc R U . . .
C01D C 0.4554(4) 0.5919(4) 0.4005(3) 0.0467(12) Uani 1 1 d . . . . .
H01D H 0.401729 0.648139 0.404683 0.056 Uiso 1 1 calc R U . . .
C01E C 0.8400(4) 0.2093(4) -0.0529(2) 0.0420(11) Uani 1 1 d . . . . .
H01E H 0.882086 0.219568 -0.097806 0.050 Uiso 1 1 calc R U . . .
C9 C 0.6449(5) -0.0146(4) 0.3641(3) 0.0494(13) Uani 1 1 d . . . . .
H9A H 0.663819 -0.081375 0.346698 0.059 Uiso 1 1 calc R U . . .
H9B H 0.618519 -0.015419 0.415862 0.059 Uiso 1 1 calc R U . . .
C01G C 0.5532(4) 0.5986(4) 0.4018(3) 0.0470(12) Uani 1 1 d . . . . .
H01G H 0.564626 0.659361 0.407639 0.056 Uiso 1 1 calc R U . . .
C10 C 0.5640(4) 0.0498(4) 0.3304(2) 0.0438(12) Uani 1 1 d . . . . .
C01I C 0.9763(4) 0.5909(3) 0.0605(3) 0.0413(11) Uani 1 1 d . . . . .
H01I H 1.010644 0.613506 0.016628 0.050 Uiso 1 1 calc R U . . .
C13 C 0.3008(4) 0.2663(4) 0.2353(3) 0.0469(12) Uani 1 1 d . . . . .
H13A H 0.277162 0.215552 0.218350 0.056 Uiso 1 1 calc R U . . .
H13B H 0.268832 0.329353 0.217640 0.056 Uiso 1 1 calc R U . . .
C01K C 0.9519(5) -0.1457(4) 0.2095(3) 0.0620(17) Uani 1 1 d . . . . .
H01K H 0.993596 -0.184100 0.236424 0.074 Uiso 1 1 calc R U . . .
C01L C 0.9837(4) 0.4120(4) 0.3594(2) 0.0420(11) Uani 1 1 d . . . . .
H01L H 1.040488 0.422352 0.323611 0.050 Uiso 1 1 calc R U . . .
C01M C 0.6834(3) 0.4573(3) 0.0282(2) 0.0338(9) Uani 1 1 d . . . . .
H01M H 0.710298 0.396032 0.045884 0.041 Uiso 1 1 calc R U . . .
C01N C 0.7532(5) 0.1007(5) 0.5280(3) 0.0625(16) Uani 1 1 d . . . . .
H01N H 0.806731 0.064302 0.546249 0.075 Uiso 1 1 calc R U . . .
C01O C 0.8139(4) 0.3836(4) 0.4661(2) 0.0449(12) Uani 1 1 d . . . . .
H01O H 0.757265 0.373925 0.502349 0.054 Uiso 1 1 calc R U . . .
C01P C 1.0812(4) 0.0852(4) 0.0808(2) 0.0410(11) Uani 1 1 d . . . . .
H01P H 1.066666 0.026790 0.072564 0.049 Uiso 1 1 calc R U . . .
C01Q C 0.9728(4) 0.5384(3) 0.1816(3) 0.0402(11) Uani 1 1 d . . . . .
H01Q H 1.005005 0.525262 0.218555 0.048 Uiso 1 1 calc R U . . .
C01R C 0.6235(4) 0.5572(4) -0.0648(3) 0.0448(11) Uani 1 1 d . . . . .
H01R H 0.609638 0.562409 -0.109339 0.054 Uiso 1 1 calc R U . . .
C01S C 0.6225(4) 0.6330(3) 0.0421(2) 0.0385(10) Uani 1 1 d . . . . .
H01S H 0.607727 0.688874 0.069524 0.046 Uiso 1 1 calc R U . . .
C01T C 0.7375(4) 0.2106(4) -0.0455(2) 0.0434(11) Uani 1 1 d . . . . .
H01T H 0.711163 0.219551 -0.085311 0.052 Uiso 1 1 calc R U . . .
C01U C 1.1246(4) 0.2603(4) 0.1021(3) 0.0412(11) Uani 1 1 d . . . . .
H01U H 1.139104 0.319490 0.108430 0.049 Uiso 1 1 calc R U . . .
C01V C 1.0243(4) 0.5691(3) 0.1153(3) 0.0438(12) Uani 1 1 d . . . . .
H01V H 1.091732 0.575181 0.107633 0.053 Uiso 1 1 calc R U . . .
C01W C 0.6466(4) 0.7092(3) 0.2252(3) 0.0432(11) Uani 1 1 d . . . . .
H01W H 0.717523 0.702387 0.215443 0.052 Uiso 1 1 calc R U . . .
C01X C 0.5030(4) 0.6478(4) 0.2184(3) 0.0428(11) Uani 1 1 d . . . . .
H01X H 0.477227 0.599683 0.204361 0.051 Uiso 1 1 calc R U . . .
C01Y C 1.2022(4) 0.1841(4) 0.0655(3) 0.0518(13) Uani 1 1 d . . . . .
H01Y H 1.269279 0.191938 0.048016 0.062 Uiso 1 1 calc R U . . .
C01Z C 1.1810(4) 0.0967(4) 0.0548(3) 0.0556(14) Uani 1 1 d . . . . .
H01Z H 1.233453 0.045756 0.030201 0.067 Uiso 1 1 calc R U . . .
C020 C 0.6570(5) 0.0822(4) 0.5516(3) 0.0575(16) Uani 1 1 d . . . . .
H020 H 0.645224 0.033014 0.585261 0.069 Uiso 1 1 calc R U . . .
C021 C 0.7713(4) 0.1731(4) 0.4770(2) 0.0455(12) Uani 1 1 d . . . . .
H021 H 0.837246 0.184204 0.461197 0.055 Uiso 1 1 calc R U . . .
C022 C 0.6044(4) 0.6405(4) -0.0252(3) 0.0468(12) Uani 1 1 d . . . . .
H022 H 0.579391 0.701859 -0.043591 0.056 Uiso 1 1 calc R U . . .
C8 C 0.7391(4) 0.0307(3) 0.3421(2) 0.0389(11) Uani 1 1 d . . . . .
H8A H 0.759129 0.043304 0.383996 0.047 Uiso 1 1 calc R U . . .
H8B H 0.797531 -0.012985 0.310384 0.047 Uiso 1 1 calc R U . . .
C024 C 0.6634(4) 0.4656(4) -0.0384(2) 0.0426(11) Uani 1 1 d . . . . .
H024 H 0.676806 0.409707 -0.065471 0.051 Uiso 1 1 calc R U . . .
C025 C 0.5790(5) 0.1370(4) 0.5252(3) 0.0511(14) Uani 1 1 d . . . . .
H025 H 0.513452 0.125135 0.541659 0.061 Uiso 1 1 calc R U . . .
C026 C 0.8269(5) -0.0333(4) 0.1304(4) 0.0633(17) Uani 1 1 d . . . . .
H026 H 0.783490 0.003662 0.104050 0.076 Uiso 1 1 calc R U . . .
C11 C 0.3745(4) 0.2544(5) 0.3354(3) 0.0538(15) Uani 1 1 d . . . . .
C028 C 0.8931(6) -0.1857(4) 0.1794(4) 0.0676(18) Uani 1 1 d . . . . .
H028 H 0.895125 -0.252143 0.186604 0.081 Uiso 1 1 calc R U . . .
C02A C 0.8870(5) 0.4225(6) 0.4819(3) 0.071(2) Uani 1 1 d . . . . .
H02A H 0.879060 0.439762 0.528821 0.086 Uiso 1 1 calc R U . . .
C14 C 0.2737(4) 0.2658(5) 0.3171(3) 0.0617(17) Uani 1 1 d . . . . .
H14A H 0.225340 0.326813 0.336174 0.074 Uiso 1 1 calc R U . . .
H14B H 0.242860 0.211684 0.336623 0.074 Uiso 1 1 calc R U . . .
C02C C 0.4754(5) 0.8020(4) 0.2742(3) 0.0585(15) Uani 1 1 d . . . . .
H02C H 0.430297 0.857786 0.297843 0.070 Uiso 1 1 calc R U . . .
C02D C 0.4357(4) 0.7310(4) 0.2534(3) 0.0562(15) Uani 1 1 d . . . . .
H02D H 0.364509 0.739286 0.262847 0.067 Uiso 1 1 calc R U . . .
C02E C 0.9719(5) 0.4358(5) 0.4285(3) 0.0629(18) Uani 1 1 d . . . . .
H02E H 1.021299 0.461234 0.439716 0.075 Uiso 1 1 calc R U . . .
C02F C 0.5788(5) 0.7914(4) 0.2605(3) 0.0617(16) Uani 1 1 d . . . . .
H02F H 0.604070 0.839520 0.274882 0.074 Uiso 1 1 calc R U . . .
C02H C 0.8331(6) -0.1331(5) 0.1400(5) 0.085(2) Uani 1 1 d . . . . .
H02H H 0.795737 -0.163045 0.119115 0.102 Uiso 1 1 calc R 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 Cl1 2.4140(11) . ?
Os1 P2 2.4037(9) . ?
Os1 P1 2.4129(10) . ?
Os1 C1 1.845(4) . ?
Os1 C7 2.055(4) . ?
Os1 C4 2.114(4) . ?
P3 C2 1.783(4) . ?
P3 C00M 1.801(4) . ?
P3 C00S 1.794(4) . ?
P3 C017 1.785(4) . ?
P2 C00K 1.826(4) . ?
P2 C00N 1.825(4) . ?
P2 C010 1.823(4) . ?
P1 C00L 1.815(4) . ?
P1 C00U 1.841(4) . ?
P1 C014 1.832(4) . ?
P4 F2 1.613(3) . ?
P4 F1 1.609(3) . ?
P4 F6 1.590(3) . ?
P4 F3 1.588(4) . ?
P4 F5 1.573(4) . ?
P4 F4 1.586(4) . ?
N1 C5 1.426(6) . ?
N1 C12 1.397(6) . ?
N1 C11 1.416(6) . ?
O3 C12 1.199(6) . ?
C2 C1 1.395(6) . ?
C2 C3 1.400(5) . ?
C5 C6 1.393(6) . ?
C5 C4 1.398(5) . ?
C6 C7 1.373(6) . ?
C6 C10 1.476(5) . ?
O1 C10 1.208(6) . ?
O2 C11 1.210(7) . ?
C00K C00Y 1.397(6) . ?
C00K C016 1.388(6) . ?
C00L C00W 1.386(6) . ?
C00L C013 1.408(5) . ?
C00M C00Z 1.395(6) . ?
C00M C011 1.393(6) . ?
C00N C012 1.395(6) . ?
C00N C021 1.384(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.396(6) . ?
C7 C8 1.506(6) . ?
C00R H00R 0.9300 . ?
C00R C010 1.399(5) . ?
C00R C01L 1.384(6) . ?
C00S C01M 1.382(6) . ?
C00S C01S 1.395(6) . ?
C00T H00T 0.9300 . ?
C00T C00Y 1.377(7) . ?
C00T C01D 1.379(8) . ?
C00U C01A 1.378(8) . ?
C00U C026 1.380(8) . ?
C12 C13 1.504(6) . ?
C00W H00W 0.9300 . ?
C00W C01B 1.392(7) . ?
C00Y H00Y 0.9300 . ?
C00Z H00Z 0.9300 . ?
C00Z C01Q 1.385(6) . ?
C010 C01O 1.392(6) . ?
C011 H011 0.9300 . ?
C011 C01I 1.383(6) . ?
C012 H012 0.9300 . ?
C012 C025 1.401(7) . ?
C013 H013 0.9300 . ?
C013 C01E 1.383(7) . ?
C014 C018 1.398(6) . ?
C014 C01P 1.382(6) . ?
C016 H016 0.9300 . ?
C016 C01G 1.382(7) . ?
C017 C01W 1.391(6) . ?
C017 C01X 1.390(6) . ?
C018 H018 0.9300 . ?
C018 C01U 1.392(6) . ?
C01A H01A 0.9300 . ?
C01A C01K 1.425(7) . ?
C01B H01B 0.9300 . ?
C01B C01T 1.386(7) . ?
C01D H01D 0.9300 . ?
C01D C01G 1.390(7) . ?
C01E H01E 0.9300 . ?
C01E C01T 1.384(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.519(8) . ?
C9 C8 1.539(7) . ?
C01G H01G 0.9300 . ?
C01I H01I 0.9300 . ?
C01I C01V 1.382(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.527(8) . ?
C01K H01K 0.9300 . ?
C01K C028 1.367(10) . ?
C01L H01L 0.9300 . ?
C01L C02E 1.362(7) . ?
C01M H01M 0.9300 . ?
C01M C024 1.386(6) . ?
C01N H01N 0.9300 . ?
C01N C020 1.369(9) . ?
C01N C021 1.387(7) . ?
C01O H01O 0.9300 . ?
C01O C02A 1.379(7) . ?
C01P H01P 0.9300 . ?
C01P C01Z 1.382(7) . ?
C01Q H01Q 0.9300 . ?
C01Q C01V 1.385(7) . ?
C01R H01R 0.9300 . ?
C01R C022 1.380(8) . ?
C01R C024 1.388(7) . ?
C01S H01S 0.9300 . ?
C01S C022 1.388(7) . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
C01U C01Y 1.385(7) . ?
C01V H01V 0.9300 . ?
C01W H01W 0.9300 . ?
C01W C02F 1.378(7) . ?
C01X H01X 0.9300 . ?
C01X C02D 1.385(7) . ?
C01Y H01Y 0.9300 . ?
C01Y C01Z 1.380(8) . ?
C01Z H01Z 0.9300 . ?
C020 H020 0.9300 . ?
C020 C025 1.361(9) . ?
C021 H021 0.9300 . ?
C022 H022 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C024 H024 0.9300 . ?
C025 H025 0.9300 . ?
C026 H026 0.9300 . ?
C026 C02H 1.387(8) . ?
C11 C14 1.504(8) . ?
C028 H028 0.9300 . ?
C028 C02H 1.334(11) . ?
C02A H02A 0.9300 . ?
C02A C02E 1.380(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C02C H02C 0.9300 . ?
C02C C02D 1.391(9) . ?
C02C C02F 1.354(9) . ?
C02D H02D 0.9300 . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02H H02H 0.9300 . ?

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
P2 Os1 Cl1 84.14(3) . . ?
P2 Os1 P1 166.98(4) . . ?
P1 Os1 Cl1 83.48(4) . . ?
C1 Os1 Cl1 120.99(12) . . ?
C1 Os1 P2 90.45(11) . . ?
C1 Os1 P1 92.47(11) . . ?
C1 Os1 C7 147.70(17) . . ?
C1 Os1 C4 72.25(15) . . ?
C7 Os1 Cl1 91.25(13) . . ?
C7 Os1 P2 91.07(10) . . ?
C7 Os1 P1 93.20(10) . . ?
C7 Os1 C4 75.45(16) . . ?
C4 Os1 Cl1 166.33(10) . . ?
C4 Os1 P2 92.85(10) . . ?
C4 Os1 P1 100.12(10) . . ?
C2 P3 C00M 107.72(18) . . ?
C2 P3 C00S 110.19(18) . . ?
C2 P3 C017 113.55(18) . . ?
C00S P3 C00M 109.76(18) . . ?
C017 P3 C00M 108.46(19) . . ?
C017 P3 C00S 107.1(2) . . ?
C00K P2 Os1 116.31(13) . . ?
C00N P2 Os1 111.75(13) . . ?
C00N P2 C00K 108.83(18) . . ?
C010 P2 Os1 113.36(13) . . ?
C010 P2 C00K 102.38(19) . . ?
C010 P2 C00N 103.03(19) . . ?
C00L P1 Os1 117.78(14) . . ?
C00L P1 C00U 103.3(2) . . ?
C00L P1 C014 103.73(18) . . ?
C00U P1 Os1 114.28(13) . . ?
C014 P1 Os1 112.00(14) . . ?
C014 P1 C00U 104.3(2) . . ?
F1 P4 F2 88.52(16) . . ?
F6 P4 F2 90.53(17) . . ?
F6 P4 F1 178.2(2) . . ?
F3 P4 F2 89.4(2) . . ?
F3 P4 F1 89.64(19) . . ?
F3 P4 F6 88.81(19) . . ?
F5 P4 F2 90.3(2) . . ?
F5 P4 F1 90.43(19) . . ?
F5 P4 F6 91.11(19) . . ?
F5 P4 F3 179.6(3) . . ?
F5 P4 F4 91.2(3) . . ?
F4 P4 F2 177.9(2) . . ?
F4 P4 F1 90.03(19) . . ?
F4 P4 F6 90.9(2) . . ?
F4 P4 F3 89.2(3) . . ?
C12 N1 C5 124.9(3) . . ?
C12 N1 C11 112.3(4) . . ?
C11 N1 C5 121.6(4) . . ?
C1 C2 P3 124.5(3) . . ?
C1 C2 C3 107.4(3) . . ?
C3 C2 P3 128.0(3) . . ?
C6 C5 N1 121.3(3) . . ?
C6 C5 C4 113.2(4) . . ?
C4 C5 N1 125.3(4) . . ?
C5 C6 C10 131.6(4) . . ?
C7 C6 C5 116.2(3) . . ?
C7 C6 C10 112.1(4) . . ?
C2 C1 Os1 130.8(3) . . ?
C00Y C00K P2 120.9(3) . . ?
C016 C00K P2 120.6(3) . . ?
C016 C00K C00Y 118.4(4) . . ?
C00W C00L P1 119.1(3) . . ?
C00W C00L C013 118.6(4) . . ?
C013 C00L P1 122.1(3) . . ?
C00Z C00M P3 119.4(3) . . ?
C011 C00M P3 120.2(3) . . ?
C011 C00M C00Z 120.4(4) . . ?
C012 C00N P2 121.9(4) . . ?
C021 C00N P2 119.2(3) . . ?
C021 C00N C012 118.5(4) . . ?
C2 C3 H3 123.9 . . ?
C4 C3 C2 112.1(4) . . ?
C4 C3 H3 123.9 . . ?
C6 C7 Os1 118.3(3) . . ?
C6 C7 C8 110.0(3) . . ?
C8 C7 Os1 131.7(3) . . ?
C010 C00R H00R 120.1 . . ?
C01L C00R H00R 120.1 . . ?
C01L C00R C010 119.9(4) . . ?
C01M C00S P3 121.2(3) . . ?
C01M C00S C01S 120.6(4) . . ?
C01S C00S P3 118.1(3) . . ?
C00Y C00T H00T 119.9 . . ?
C00Y C00T C01D 120.1(4) . . ?
C01D C00T H00T 119.9 . . ?
C01A C00U P1 119.9(4) . . ?
C01A C00U C026 118.9(5) . . ?
C026 C00U P1 121.0(4) . . ?
N1 C12 C13 108.2(4) . . ?
O3 C12 N1 123.4(4) . . ?
O3 C12 C13 128.4(5) . . ?
C00L C00W H00W 119.8 . . ?
C00L C00W C01B 120.4(4) . . ?
C01B C00W H00W 119.8 . . ?
C5 C4 Os1 116.8(3) . . ?
C3 C4 Os1 117.3(3) . . ?
C3 C4 C5 125.8(4) . . ?
C00K C00Y H00Y 119.5 . . ?
C00T C00Y C00K 120.9(4) . . ?
C00T C00Y H00Y 119.5 . . ?
C00M C00Z H00Z 120.3 . . ?
C01Q C00Z C00M 119.5(4) . . ?
C01Q C00Z H00Z 120.3 . . ?
C00R C010 P2 121.9(3) . . ?
C01O C010 P2 118.9(3) . . ?
C01O C010 C00R 119.1(4) . . ?
C00M C011 H011 120.3 . . ?
C01I C011 C00M 119.4(4) . . ?
C01I C011 H011 120.3 . . ?
C00N C012 H012 120.5 . . ?
C00N C012 C025 119.0(5) . . ?
C025 C012 H012 120.5 . . ?
C00L C013 H013 119.9 . . ?
C01E C013 C00L 120.2(4) . . ?
C01E C013 H013 119.9 . . ?
C018 C014 P1 119.7(3) . . ?
C01P C014 P1 121.1(3) . . ?
C01P C014 C018 119.1(4) . . ?
C00K C016 H016 119.7 . . ?
C01G C016 C00K 120.6(4) . . ?
C01G C016 H016 119.7 . . ?
C01W C017 P3 120.8(3) . . ?
C01X C017 P3 119.4(3) . . ?
C01X C017 C01W 119.5(4) . . ?
C014 C018 H018 120.0 . . ?
C01U C018 C014 120.1(4) . . ?
C01U C018 H018 120.0 . . ?
C00U C01A H01A 120.1 . . ?
C00U C01A C01K 119.8(6) . . ?
C01K C01A H01A 120.1 . . ?
C00W C01B H01B 119.6 . . ?
C01T C01B C00W 120.8(5) . . ?
C01T C01B H01B 119.6 . . ?
C00T C01D H01D 120.2 . . ?
C00T C01D C01G 119.7(5) . . ?
C01G C01D H01D 120.2 . . ?
C013 C01E H01E 119.5 . . ?
C013 C01E C01T 121.0(4) . . ?
C01T C01E H01E 119.5 . . ?
H9A C9 H9B 108.7 . . ?
C10 C9 H9A 110.5 . . ?
C10 C9 H9B 110.5 . . ?
C10 C9 C8 106.2(4) . . ?
C8 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
C016 C01G C01D 120.2(5) . . ?
C016 C01G H01G 119.9 . . ?
C01D C01G H01G 119.9 . . ?
C6 C10 C9 105.7(4) . . ?
O1 C10 C6 128.2(5) . . ?
O1 C10 C9 126.0(4) . . ?
C011 C01I H01I 119.9 . . ?
C01V C01I C011 120.3(4) . . ?
C01V C01I H01I 119.9 . . ?
C12 C13 H13A 110.6 . . ?
C12 C13 H13B 110.6 . . ?
C12 C13 C14 105.7(4) . . ?
H13A C13 H13B 108.7 . . ?
C14 C13 H13A 110.6 . . ?
C14 C13 H13B 110.6 . . ?
C01A C01K H01K 120.9 . . ?
C028 C01K C01A 118.2(6) . . ?
C028 C01K H01K 120.9 . . ?
C00R C01L H01L 119.8 . . ?
C02E C01L C00R 120.4(4) . . ?
C02E C01L H01L 119.8 . . ?
C00S C01M H01M 120.2 . . ?
C00S C01M C024 119.6(4) . . ?
C024 C01M H01M 120.2 . . ?
C020 C01N H01N 119.7 . . ?
C020 C01N C021 120.6(6) . . ?
C021 C01N H01N 119.7 . . ?
C010 C01O H01O 120.1 . . ?
C02A C01O C010 119.9(4) . . ?
C02A C01O H01O 120.1 . . ?
C014 C01P H01P 119.5 . . ?
C01Z C01P C014 121.0(5) . . ?
C01Z C01P H01P 119.5 . . ?
C00Z C01Q H01Q 120.0 . . ?
C00Z C01Q C01V 120.0(5) . . ?
C01V C01Q H01Q 120.0 . . ?
C022 C01R H01R 119.9 . . ?
C022 C01R C024 120.2(4) . . ?
C024 C01R H01R 119.9 . . ?
C00S C01S H01S 120.4 . . ?
C022 C01S C00S 119.3(5) . . ?
C022 C01S H01S 120.4 . . ?
C01B C01T H01T 120.5 . . ?
C01E C01T C01B 118.9(5) . . ?
C01E C01T H01T 120.5 . . ?
C018 C01U H01U 120.2 . . ?
C01Y C01U C018 119.5(5) . . ?
C01Y C01U H01U 120.2 . . ?
C01I C01V C01Q 120.5(4) . . ?
C01I C01V H01V 119.8 . . ?
C01Q C01V H01V 119.8 . . ?
C017 C01W H01W 119.9 . . ?
C02F C01W C017 120.2(5) . . ?
C02F C01W H01W 119.9 . . ?
C017 C01X H01X 120.1 . . ?
C02D C01X C017 119.7(5) . . ?
C02D C01X H01X 120.1 . . ?
C01U C01Y H01Y 119.7 . . ?
C01Z C01Y C01U 120.7(5) . . ?
C01Z C01Y H01Y 119.7 . . ?
C01P C01Z H01Z 120.2 . . ?
C01Y C01Z C01P 119.6(5) . . ?
C01Y C01Z H01Z 120.2 . . ?
C01N C020 H020 120.5 . . ?
C025 C020 C01N 119.0(5) . . ?
C025 C020 H020 120.5 . . ?
C00N C021 C01N 121.0(5) . . ?
C00N C021 H021 119.5 . . ?
C01N C021 H021 119.5 . . ?
C01R C022 C01S 120.2(5) . . ?
C01R C022 H022 119.9 . . ?
C01S C022 H022 119.9 . . ?
C7 C8 C9 105.2(4) . . ?
C7 C8 H8A 110.7 . . ?
C7 C8 H8B 110.7 . . ?
C9 C8 H8A 110.7 . . ?
C9 C8 H8B 110.7 . . ?
H8A C8 H8B 108.8 . . ?
C01M C024 C01R 120.2(5) . . ?
C01M C024 H024 119.9 . . ?
C01R C024 H024 119.9 . . ?
C012 C025 H025 119.1 . . ?
C020 C025 C012 121.8(5) . . ?
C020 C025 H025 119.1 . . ?
C00U C026 H026 119.5 . . ?
C00U C026 C02H 121.0(7) . . ?
C02H C026 H026 119.5 . . ?
N1 C11 C14 107.9(4) . . ?
O2 C11 N1 122.9(5) . . ?
O2 C11 C14 129.1(5) . . ?
C01K C028 H028 118.8 . . ?
C02H C028 C01K 122.5(6) . . ?
C02H C028 H028 118.8 . . ?
C01O C02A H02A 119.8 . . ?
C01O C02A C02E 120.3(5) . . ?
C02E C02A H02A 119.8 . . ?
C13 C14 H14A 110.7 . . ?
C13 C14 H14B 110.7 . . ?
C11 C14 C13 105.4(4) . . ?
C11 C14 H14A 110.7 . . ?
C11 C14 H14B 110.7 . . ?
H14A C14 H14B 108.8 . . ?
C02D C02C H02C 119.4 . . ?
C02F C02C H02C 119.4 . . ?
C02F C02C C02D 121.1(5) . . ?
C01X C02D C02C 119.4(5) . . ?
C01X C02D H02D 120.3 . . ?
C02C C02D H02D 120.3 . . ?
C01L C02E C02A 120.4(4) . . ?
C01L C02E H02E 119.8 . . ?
C02A C02E H02E 119.8 . . ?
C01W C02F H02F 120.0 . . ?
C02C C02F C01W 120.0(5) . . ?
C02C C02F H02F 120.0 . . ?
C026 C02H H02H 120.2 . . ?
C028 C02H C026 119.6(7) . . ?
C028 C02H H02H 120.2 . . ?

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 P2 C00K C00Y 64.0(3) . . . . ?
Os1 P2 C00K C016 -112.8(3) . . . . ?
Os1 P2 C00N C012 -86.7(4) . . . . ?
Os1 P2 C00N C021 86.3(4) . . . . ?
Os1 P2 C010 C00R 18.6(4) . . . . ?
Os1 P2 C010 C01O -164.0(4) . . . . ?
Os1 P1 C00L C00W -51.4(4) . . . . ?
Os1 P1 C00L C013 133.3(3) . . . . ?
Os1 P1 C00U C01A -69.0(4) . . . . ?
Os1 P1 C00U C026 106.6(4) . . . . ?
Os1 P1 C014 C018 -34.0(4) . . . . ?
Os1 P1 C014 C01P 149.0(3) . . . . ?
Os1 C7 C8 C9 177.2(3) . . . . ?
P3 C2 C1 Os1 178.0(2) . . . . ?
P3 C2 C3 C4 179.6(3) . . . . ?
P3 C00M C00Z C01Q -178.8(3) . . . . ?
P3 C00M C011 C01I 178.1(3) . . . . ?
P3 C00S C01M C024 -176.0(3) . . . . ?
P3 C00S C01S C022 175.0(4) . . . . ?
P3 C017 C01W C02F 174.6(4) . . . . ?
P3 C017 C01X C02D -174.2(4) . . . . ?
Cl1 Os1 C1 C2 -173.6(3) . . . . ?
P2 Os1 C1 C2 -90.2(4) . . . . ?
P2 C00K C00Y C00T -178.8(3) . . . . ?
P2 C00K C016 C01G 178.6(4) . . . . ?
P2 C00N C012 C025 173.0(3) . . . . ?
P2 C00N C021 C01N -173.4(4) . . . . ?
P2 C010 C01O C02A -176.7(5) . . . . ?
P1 Os1 C1 C2 102.5(4) . . . . ?
P1 C00L C00W C01B -174.4(4) . . . . ?
P1 C00L C013 C01E 174.4(3) . . . . ?
P1 C00U C01A C01K 174.9(4) . . . . ?
P1 C00U C026 C02H -176.1(5) . . . . ?
P1 C014 C018 C01U -177.2(3) . . . . ?
P1 C014 C01P C01Z 178.5(4) . . . . ?
N1 C5 C6 C7 -172.5(3) . . . . ?
N1 C5 C6 C10 8.3(7) . . . . ?
N1 C5 C4 Os1 172.8(3) . . . . ?
N1 C5 C4 C3 -3.7(6) . . . . ?
N1 C12 C13 C14 -6.5(6) . . . . ?
N1 C11 C14 C13 -1.0(7) . . . . ?
O3 C12 C13 C14 171.5(6) . . . . ?
C2 P3 C00M C00Z -48.8(4) . . . . ?
C2 P3 C00M C011 133.4(3) . . . . ?
C2 P3 C00S C01M -29.8(4) . . . . ?
C2 P3 C00S C01S 153.9(3) . . . . ?
C2 P3 C017 C01W 120.8(4) . . . . ?
C2 P3 C017 C01X -65.4(4) . . . . ?
C2 C3 C4 Os1 1.8(4) . . . . ?
C2 C3 C4 C5 178.4(4) . . . . ?
C5 N1 C12 O3 -4.2(7) . . . . ?
C5 N1 C12 C13 174.0(4) . . . . ?
C5 N1 C11 O2 5.6(8) . . . . ?
C5 N1 C11 C14 -171.5(5) . . . . ?
C5 C6 C7 Os1 -2.1(5) . . . . ?
C5 C6 C7 C8 177.2(3) . . . . ?
C5 C6 C10 O1 9.5(8) . . . . ?
C5 C6 C10 C9 -173.2(4) . . . . ?
C6 C5 C4 Os1 -2.1(4) . . . . ?
C6 C5 C4 C3 -178.7(4) . . . . ?
C6 C7 C8 C9 -2.0(5) . . . . ?
O2 C11 C14 C13 -177.8(7) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C00K P2 C00N C012 43.1(4) . . . . ?
C00K P2 C00N C021 -143.8(4) . . . . ?
C00K P2 C010 C00R -107.5(4) . . . . ?
C00K P2 C010 C01O 69.9(4) . . . . ?
C00K C016 C01G C01D -1.2(7) . . . . ?
C00L P1 C00U C01A 161.8(4) . . . . ?
C00L P1 C00U C026 -22.6(5) . . . . ?
C00L P1 C014 C018 94.0(4) . . . . ?
C00L P1 C014 C01P -82.9(4) . . . . ?
C00L C00W C01B C01T 0.4(7) . . . . ?
C00L C013 C01E C01T -0.6(7) . . . . ?
C00M P3 C2 C1 3.9(4) . . . . ?
C00M P3 C2 C3 -175.7(3) . . . . ?
C00M P3 C00S C01M 88.6(4) . . . . ?
C00M P3 C00S C01S -87.6(4) . . . . ?
C00M P3 C017 C01W 1.1(4) . . . . ?
C00M P3 C017 C01X 174.9(4) . . . . ?
C00M C00Z C01Q C01V 0.2(7) . . . . ?
C00M C011 C01I C01V 1.2(7) . . . . ?
C00N P2 C00K C00Y -63.2(4) . . . . ?
C00N P2 C00K C016 119.9(3) . . . . ?
C00N P2 C010 C00R 139.5(4) . . . . ?
C00N P2 C010 C01O -43.0(4) . . . . ?
C00N C012 C025 C020 -0.3(7) . . . . ?
C3 C2 C1 Os1 -2.4(5) . . . . ?
C7 Os1 C1 C2 2.5(5) . . . . ?
C7 C6 C10 O1 -169.7(5) . . . . ?
C7 C6 C10 C9 7.6(5) . . . . ?
C00R C010 C01O C02A 0.8(8) . . . . ?
C00R C01L C02E C02A -1.1(10) . . . . ?
C00S P3 C2 C1 123.6(3) . . . . ?
C00S P3 C2 C3 -56.0(4) . . . . ?
C00S P3 C00M C00Z -168.8(3) . . . . ?
C00S P3 C00M C011 13.4(4) . . . . ?
C00S P3 C017 C01W -117.4(4) . . . . ?
C00S P3 C017 C01X 56.5(4) . . . . ?
C00S C01M C024 C01R 0.2(7) . . . . ?
C00S C01S C022 C01R 1.9(7) . . . . ?
C00T C01D C01G C016 1.0(8) . . . . ?
C00U P1 C00L C00W 75.6(4) . . . . ?
C00U P1 C00L C013 -99.7(4) . . . . ?
C00U P1 C014 C018 -158.1(3) . . . . ?
C00U P1 C014 C01P 24.9(4) . . . . ?
C00U C01A C01K C028 0.7(8) . . . . ?
C00U C026 C02H C028 1.8(11) . . . . ?
C12 N1 C5 C6 -109.2(5) . . . . ?
C12 N1 C5 C4 76.2(6) . . . . ?
C12 N1 C11 O2 173.7(6) . . . . ?
C12 N1 C11 C14 -3.3(6) . . . . ?
C12 C13 C14 C11 4.5(7) . . . . ?
C00W C00L C013 C01E -0.9(6) . . . . ?
C00W C01B C01T C01E -1.9(8) . . . . ?
C4 Os1 C1 C2 2.6(3) . . . . ?
C4 C5 C6 C7 2.7(5) . . . . ?
C4 C5 C6 C10 -176.4(4) . . . . ?
C00Y C00K C016 C01G 1.6(6) . . . . ?
C00Y C00T C01D C01G -1.2(7) . . . . ?
C00Z C00M C011 C01I 0.4(6) . . . . ?
C00Z C01Q C01V C01I 1.4(7) . . . . ?
C010 P2 C00K C00Y -171.8(3) . . . . ?
C010 P2 C00K C016 11.3(4) . . . . ?
C010 P2 C00N C012 151.3(3) . . . . ?
C010 P2 C00N C021 -35.7(4) . . . . ?
C010 C00R C01L C02E 1.2(8) . . . . ?
C010 C01O C02A C02E -0.8(11) . . . . ?
C011 C00M C00Z C01Q -1.1(6) . . . . ?
C011 C01I C01V C01Q -2.1(7) . . . . ?
C012 C00N C021 C01N -0.1(7) . . . . ?
C013 C00L C00W C01B 1.0(6) . . . . ?
C013 C01E C01T C01B 2.0(8) . . . . ?
C014 P1 C00L C00W -175.8(3) . . . . ?
C014 P1 C00L C013 8.9(4) . . . . ?
C014 P1 C00U C01A 53.7(4) . . . . ?
C014 P1 C00U C026 -130.8(4) . . . . ?
C014 C018 C01U C01Y -1.2(7) . . . . ?
C014 C01P C01Z C01Y -1.4(8) . . . . ?
C016 C00K C00Y C00T -1.9(6) . . . . ?
C017 P3 C2 C1 -116.2(3) . . . . ?
C017 P3 C2 C3 64.2(4) . . . . ?
C017 P3 C00M C00Z 74.4(4) . . . . ?
C017 P3 C00M C011 -103.3(4) . . . . ?
C017 P3 C00S C01M -153.8(3) . . . . ?
C017 P3 C00S C01S 30.0(4) . . . . ?
C017 C01W C02F C02C -0.7(9) . . . . ?
C017 C01X C02D C02C -0.2(8) . . . . ?
C018 C014 C01P C01Z 1.4(7) . . . . ?
C018 C01U C01Y C01Z 1.2(8) . . . . ?
C01A C00U C026 C02H -0.5(9) . . . . ?
C01A C01K C028 C02H 0.6(9) . . . . ?
C01D C00T C00Y C00K 1.6(7) . . . . ?
C10 C6 C7 Os1 177.2(3) . . . . ?
C10 C6 C7 C8 -3.5(5) . . . . ?
C10 C9 C8 C7 6.4(5) . . . . ?
C01K C028 C02H C026 -1.9(11) . . . . ?
C01L C00R C010 P2 176.4(4) . . . . ?
C01L C00R C010 C01O -1.0(7) . . . . ?
C01M C00S C01S C022 -1.2(7) . . . . ?
C01N C020 C025 C012 0.8(8) . . . . ?
C01O C02A C02E C01L 0.9(12) . . . . ?
C01P C014 C018 C01U -0.1(7) . . . . ?
C01S C00S C01M C024 0.2(6) . . . . ?
C01U C01Y C01Z C01P 0.1(9) . . . . ?
C01W C017 C01X C02D -0.3(7) . . . . ?
C01X C017 C01W C02F 0.8(8) . . . . ?
C020 C01N C021 C00N 0.6(9) . . . . ?
C021 C00N C012 C025 0.0(6) . . . . ?
C021 C01N C020 C025 -1.0(9) . . . . ?
C022 C01R C024 C01M 0.6(7) . . . . ?
C8 C9 C10 C6 -8.4(5) . . . . ?
C8 C9 C10 O1 169.0(5) . . . . ?
C024 C01R C022 C01S -1.7(8) . . . . ?
C026 C00U C01A C01K -0.7(7) . . . . ?
C11 N1 C5 C6 57.4(6) . . . . ?
C11 N1 C5 C4 -117.2(5) . . . . ?
C11 N1 C12 O3 -171.9(5) . . . . ?
C11 N1 C12 C13 6.3(6) . . . . ?
C02D C02C C02F C01W 0.2(10) . . . . ?
C02F C02C C02D C01X 0.3(9) . . . . ?

_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 -0.225 0.000 0.725 864.2 279.4 '6 CH2Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.840
_oxdiff_exptl_absorpt_empirical_full_min 0.382
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
####################################################################### 
# 
# 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_2d
_database_code_depnum_ccdc_archive 'CCDC 2054274'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-07 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C71 H56 Cl N O2 Os P3, F6 P'
_chemical_formula_sum            'C71 H56 Cl F6 N O2 Os P4'
_chemical_formula_weight         1418.69
_chemical_melting_point          ?
_chemical_oxdiff_formula         C71H54ClF6NO2OsP4
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'
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                   14.8347(4)
_cell_length_b                   15.0458(3)
_cell_length_c                   15.7073(2)
_cell_angle_alpha                77.018(2)
_cell_angle_beta                 88.368(2)
_cell_angle_gamma                64.742(2)
_cell_volume                     3080.61(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    34658
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      74.3590
_cell_measurement_theta_min      2.8760
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.840
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.587
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1424
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 -1 0.0318
2 7 8 0.0687
8 -1 0 0.0186
-9 -5 -5 0.0434
2 12 0 0.0549
-6 -8 3 0.0429
-9 0 1 0.0285
1 -6 -8 0.0213

_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.059
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.1011 -0.3990 -0.9997 -0.0357 -0.0872 0.0409
2.1600 6.6707 8.3183 -0.0121 0.7692 -0.5808
8.1490 -1.0734 0.1092 0.0529 -0.6597 -0.7497
-8.6384 -4.8206 -4.7594 0.1380 0.0118 0.9904
1.9951 11.8959 0.2052 -1.0327 0.7824 -0.0844
-6.0027 -8.0072 2.9894 0.9412 -0.0392 0.3091
-9.0075 -0.0163 0.9876 0.1237 0.6913 0.7585
1.0103 -5.9897 -7.9976 -0.0436 -0.9276 0.2841

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_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       -18
_diffrn_reflns_number            68766
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        64.989
_diffrn_reflns_theta_max         64.989
_diffrn_reflns_theta_min         2.896
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00  38.00   0.50    0.70    --  -42.60  19.00   0.00  124
  2  ω    -39.00 -14.00   0.50    0.70    --   18.00 128.00  58.40   50
  3  ω     13.00  38.00   0.50    0.70    --   50.00  91.00  62.50   50
  4  ω     19.00  44.00   0.50    0.70    --   54.00  87.00  46.38   50
  5  ω     38.00  64.00   0.50    0.70    --   70.00  80.00  63.29   52
  6  ω     70.00 116.00   0.50    0.70    --   42.60  79.00  97.00   92
  7  ω     94.00 170.00   0.50    2.10    --  107.76  79.00  97.00  152
  8  ω    136.00 178.00   0.50    2.10    --  107.76  77.00 150.00   84
  9  ω    121.00 172.00   0.50    2.10    --  107.76  30.00  30.00  102
 10  ω    105.00 132.00   0.50    0.70    --   70.00  82.00 -18.72   54
 11  ω     93.00 178.00   0.50    2.10    --  107.76  45.00 -30.00  170
 12  ω     87.00 178.00   0.50    2.10    --  107.76  45.00 -90.00  182
 13  ω    113.00 138.00   0.50    2.10    --  107.76 -79.00 -26.00   50
 14  ω     89.00 117.00   0.50    2.10    --  107.76-125.00  30.00   56
 15  ω     80.00 105.00   0.50    2.10    --  107.76 -79.00 -26.00   50
 16  ω     88.00 117.00   0.50    2.10    --  107.76-125.00 -60.00   58
 17  ω     65.00 107.00   0.50    2.10    --  107.76 -94.00-120.00   84
 18  ω     40.00 108.00   0.50    2.10    --  107.76 -94.00 -60.00  136
 19  ω     42.00 100.00   0.50    2.10    --  107.76 -77.00-180.00  116
 20  ω     35.00  62.00   0.50    2.10    --  107.76 -94.00-120.00   54
 21  ω     37.00  86.00   0.50    2.10    --  107.76-125.00 -60.00   98
 22  ω     42.00  69.00   0.50    2.10    --  107.76 -79.00 -26.00   54
 23  ω     34.00  88.00   0.50    2.10    --  107.76-125.00  30.00  108
 24  ω     63.00 103.00   0.50    2.10    --  107.76 -77.00  90.00   80
 25  ω     72.00 107.00   0.50    2.10    --  107.76 -94.00 150.00   70
 26  ω     87.00 116.00   0.50    2.10    --  107.76-125.00 150.00   58
 27  ω     34.00  77.00   0.50    2.10    --  107.76-125.00 150.00   86
 28  ω     45.00 114.00   0.50    2.10    --  107.76-125.00  90.00  138
 29  ω     80.00 107.00   0.50    2.10    --  107.76  30.00  30.00   54
 30  ω     82.00 147.00   0.50    2.10    --  107.76  45.00  60.00  130
 31  ω     79.00 173.00   0.50    2.10    --  107.76  77.00  60.00  188
 32  ω     80.00 119.00   0.50    0.70    --   42.60 178.00 120.00   78
 33  ω     37.00  68.00   0.50    0.70    --   70.00  82.00 -18.72   62
 34  ω     79.00 178.00   0.50    2.10    --  107.76  77.00 -90.00  198
 35  ω     90.00 176.00   0.50    2.10    --  107.76  61.00-150.00  172
 36  ω     82.00 177.00   0.50    2.10    --  107.76  61.00-180.00  190
 37  ω     82.00 164.00   0.50    2.10    --  107.76  61.00   0.00  164
 38  ω     81.00 130.00   0.50    2.10    --  107.76  77.00 150.00   98
 39  ω     77.00 173.00   0.50    2.10    --  107.76  77.00  90.00  192
 40  ω     84.00 178.00   0.50    2.10    --  107.76  61.00 150.00  188
 41  ω     20.00  45.00   0.50    0.70    --   54.00  85.00 -23.75   50
 42  ω     15.00  41.00   0.50    0.70    --   50.00  92.00 -85.51   52
 43  ω     -3.00  22.00   0.50    0.70    --   38.00  98.00-173.75   50
 44  ω     17.00  45.00   0.50    0.70    --   54.00  90.00-149.52   56
 45  ω     -7.00  22.00   0.50    0.70    --   34.00  99.00 -46.14   58
 46  ω     17.00  45.00   0.50    0.70    --   54.00  91.00   2.25   56
 47  ω     14.00  40.00   0.50    0.70    --   42.60  79.00  97.00   52
 48  ω     18.00  44.00   0.50    0.70    --   54.00  88.00 109.77   52
 49  ω     19.00  46.00   0.50    0.70    --   54.00  89.00 162.97   54
 50  ω    -72.00  29.00   0.50    0.70    --  -42.60  79.00  97.00  202
 51  ω    -43.00  34.00   0.50    0.70    --  -42.60  38.00 -90.00  154
 52  ω     -9.00  62.00   0.50    0.70    --   42.60 -79.00 -26.00  142
 53  ω     37.00 117.00   0.50    2.10    --  107.76-125.00-150.00  160
 54  ω    -53.00 -25.00   0.50    0.70    --  -58.00 -83.00 -89.12   56
 55  ω    -63.00 -17.00   0.50    0.70    --  -42.60 -38.00-150.00   92
 56  ω    -60.00 -33.00   0.50    0.70    --  -66.00 -82.00 -89.22   54
 57  ω    -65.00 -32.00   0.50    0.70    --  -62.00 -79.00-124.55   66
 58  ω    -68.00 -37.00   0.50    2.10    --  -70.00 -82.00-135.74   62
 59  ω    -71.00 -42.00   0.50    2.10    --  -74.00 -79.00 -88.08   58
 60  ω    -66.00 -39.00   0.50    2.10    --  -70.00 -77.00  -9.05   54
 61  ω    -54.00 -29.00   0.50    0.70    --  -62.00 -82.00  21.18   50
 62  ω    -65.00 -38.00   0.50    2.10    --  -70.00 -80.00  76.32   54
 63  ω    -57.00 -32.00   0.50    0.70    --  -66.00 -83.00 125.00   50
 64  ω    -60.00 -33.00   0.50    0.70    --  -66.00 -82.00 166.16   54
 65  ω    -63.00 -36.00   0.50    2.10    --  -70.00 -83.00 162.01   54
 66  ω    -72.00 -45.00   0.50    2.10    --  -78.00 -82.00 117.93   54
 67  ω    -72.00 -44.00   0.50    2.10    --  -78.00 -83.00  78.96   56
 68  ω    -75.00 -48.00   0.50    2.10    --  -78.00 -76.00  40.72   54
 69  ω    -75.00 -48.00   0.50    2.10    --  -82.00 -83.00  43.37   54
 70  ω    -75.00 -48.00   0.50    2.10    --  -82.00 -83.00 -17.46   54
 71  ω    -75.00 -48.00   0.50    2.10    --  -82.00 -83.00 -64.73   54
 72  ω    -78.00 -51.00   0.50    2.10    --  -82.00 -76.00 -46.07   54
 73  ω    -83.00 -58.00   0.50    2.10    --  -90.25 -80.00  -7.81   50
 74  ω    -86.00 -59.00   0.50    2.10    --  -90.25 -77.00   0.00   54
 75  ω    -86.00 -59.00   0.50    2.10    --  -90.25 -79.00  53.35   54
 76  ω    -84.00 -57.00   0.50    2.10    --  -90.25 -81.00  20.68   54
 77  ω    -88.00 -61.00   0.50    2.10    --  -90.25 -79.00  45.87   54
 78  ω   -104.00 -59.00   0.50    2.10    --  -90.25 -79.00 -26.00   90
 79  ω   -103.00 -60.00   0.50    2.10    --  -90.25 -75.00 -46.93   86
 80  ω    -91.00 -58.00   0.50    2.10    --  -90.25 -79.00 -59.83   66
 81  ω    -92.00 -59.00   0.50    2.10    --  -90.25 -77.00 -90.00   66
 82  ω    -72.00 -42.00   0.50    2.10    --  -74.00 -80.00-160.00   60
 83  ω    -85.00 -58.00   0.50    2.10    --  -90.25 -81.00-158.02   54
 84  ω    -88.00 -59.00   0.50    2.10    --  -90.25 -77.00-180.00   58
 85  ω   -103.00 -61.00   0.50    2.10    --  -90.25 -77.00-150.00   84
 86  ω    -95.00 -57.00   0.50    2.10    --  -90.25 -82.00-117.08   76
 87  ω    -99.00 -58.00   0.50    2.10    --  -90.25 -82.00-100.24   82
 88  ω    -87.00 -57.00   0.50    2.10    --  -90.25 -82.00-131.05   60
 89  ω   -101.00 -57.00   0.50    0.70    --  -42.60 -79.00 -26.00   88
 90  ω    -93.00 -68.00   0.50    2.10    --  -90.25  79.00  97.00   50
 91  ω    -90.00 -50.00   0.50    2.10    --  -90.25 125.00  60.00   80
 92  ω   -115.00 -21.00   0.50    0.70    --  -42.60 -38.00 -30.00  188
 93  ω    -93.00 -60.00   0.50    2.10    --  -90.25 -74.00 133.77   66
 94  ω    -84.00 -57.00   0.50    2.10    --  -90.25 -81.00 171.19   54
 95  ω    -92.00 -56.00   0.50    2.10    --  -86.00 -75.00 145.63   72
 96  ω    -97.00 -57.00   0.50    2.10    --  -90.25 -81.00  77.68   80
 97  ω    -96.00 -57.00   0.50    2.10    --  -90.25 -81.00  31.38   78
 98  ω    -91.00 -58.00   0.50    2.10    --  -90.25 -79.00 110.89   66
 99  ω    -94.00 -59.00   0.50    2.10    --  -90.25 -77.00  94.07   70
100  ω   -116.00 -18.00   0.50    0.70    --  -42.60 -57.00 120.00  196
101  ω   -116.00 -61.00   0.50    2.10    --  -90.25 -75.00 -85.24  110
102  ω   -136.00 -98.00   0.50    0.70    --  -62.00 -82.00  21.18   76
103  ω   -136.00-109.00   0.50    2.10    --  -70.00 -77.00  -9.05   54
104  ω   -134.00-107.00   0.50    2.10    --  -82.00 -83.00 -17.46   54
105  ω   -136.00-108.00   0.50    0.70    --  -66.00 -82.00 -89.22   56
106  ω   -151.00-124.00   0.50    2.10    --  -90.25 -75.00 -46.93   54
107  ω   -158.00-133.00   0.50    2.10    --  -90.25 -81.00  31.38   50
108  ω   -149.00-122.00   0.50    2.10    --  -90.25 -79.00  45.87   54
109  ω   -129.00-102.00   0.50    0.70    --  -66.00 -83.00 125.00   54
110  ω   -141.00-116.00   0.50    2.10    --  -90.25 -81.00 171.19   50
111  ω   -156.00-130.00   0.50    2.10    --  -86.00 -75.00 145.63   52
112  ω   -165.00-138.00   0.50    2.10    --  -90.25 -81.00  77.68   54
113  ω   -155.00-130.00   0.50    2.10    --  -90.25 -79.00  53.35   50
114  ω   -160.00-106.00   0.50    2.10    --  -90.25 -80.00  -7.81  108
115  ω   -160.00-117.00   0.50    2.10    --  -90.25 -79.00 -59.83   86
116  ω   -154.00-127.00   0.50    2.10    --  -90.25 -82.00-117.08   54
117  ω   -133.00-106.00   0.50    2.10    --  -90.25 -77.00-180.00   54
118  ω   -162.00-137.00   0.50    2.10    --  -90.25 -77.00 -90.00   50
119  ω   -164.00-121.00   0.50    2.10    --  -90.25 -82.00-100.24   86
120  ω   -159.00-134.00   0.50    2.10    --  -90.25 -82.00-131.05   50
121  ω   -158.00-106.00   0.50    2.10    --  -90.25 -81.00  20.68  104
122  ω   -162.00-137.00   0.50    2.10    --  -90.25 -74.00 133.77   50
123  ω   -165.00-132.00   0.50    2.10    --  -90.25 -79.00 110.89   66
124  ω   -163.00-136.00   0.50    2.10    --  -90.25 -77.00  94.07   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0059134000
_diffrn_orient_matrix_UB_12      -0.0870205000
_diffrn_orient_matrix_UB_13      0.0698714000
_diffrn_orient_matrix_UB_21      -0.0714796000
_diffrn_orient_matrix_UB_22      0.0769093000
_diffrn_orient_matrix_UB_23      0.0493509000
_diffrn_orient_matrix_UB_31      -0.0901043000
_diffrn_orient_matrix_UB_32      0.0089401000
_diffrn_orient_matrix_UB_33      -0.0535988000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9739
_reflns_number_total             10409
_reflns_odcompleteness_completeness 98.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_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       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         6.547
_refine_diff_density_min         -2.268
_refine_diff_density_rms         0.219
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     800
_refine_ls_number_reflns         10409
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0866
_refine_ls_restrained_S_all      1.083
_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)+(0.0933P)²+60.9613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2108
_refine_ls_wR_factor_ref         0.2139
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Restrained distances
 Os1-C1
 1.87 with sigma of 0.01
3. Restrained planarity
 C022, C02F, C02H, C02B, C02E, C02D
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7: within 2A with sigma
of 0.005 and sigma for terminal atoms of 0.01 within 2A
C18 \\sim C022 \\sim C02G \\sim C02I \\sim C02B \\sim C19: within 2A with sigma
of 0.005 and sigma for terminal atoms of 0.01 within 2A
C02D \\sim C02F \\sim C02H \\sim C02B \\sim C02E \\sim C022: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
C1: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002 within
2A
5. Others
 Sof(C18)=Sof(H18)=Sof(C19)=Sof(H19)=Sof(C02I)=Sof(H02I)=Sof(C02G)=Sof(H02G)=
 Sof(H02A)=1-FVAR(1)
 Sof(C02D)=Sof(H02D)=Sof(C02E)=Sof(H02E)=Sof(H02B)=Sof(C02H)=Sof(H02H)=
 Sof(C02F)=Sof(H02F)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
6.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C00I(H00I), C00N(H00N), C00Q(H00Q), C00R(H00R), C00U(H00U), C17(H17),
 C00X(H00X), C16(H16), C013(H013), C014(H014), C015(H015), C3(H3), C017(H017),
 C018(H018), C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E), C01F(H01F),
 C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C13(H13),
 C01M(H01M), C15(H15), C14(H14), C01P(H01P), C01Q(H01Q), C01R(H01R), C01S(H01S),
  C01T(H01T), C01U(H01U), C01V(H01V), C01X(H01X), C01Y(H01Y), C021(H021),
 C023(H023), C024(H024), C025(H025), C026(H026), C027(H027), C028(H028),
 C029(H029), C02C(H02C), C18(H18), C19(H19), C02I(H02I), C02G(H02G), C02D(H02D),
  C02E(H02E), C02B(H02A), C02B(H02B), C02H(H02H), C02F(H02F)
6.c Fitted hexagon refined as free rotating group:
 C022(C02D,C02E,C02B,C02H,C02F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.57136(3) 0.72511(3) 0.71761(2) 0.02375(16) Uani 1 1 d D . . . .
Cl1 Cl 0.51704(18) 0.90497(15) 0.66677(13) 0.0266(5) Uani 1 1 d . . . . .
P2 P 0.58112(19) 0.73287(17) 0.56170(14) 0.0232(5) Uani 1 1 d . . . . .
P1 P 0.56530(19) 0.74893(17) 0.86380(15) 0.0245(5) Uani 1 1 d . . . . .
P3 P 0.88794(19) 0.46699(18) 0.77471(16) 0.0280(5) Uani 1 1 d . . . . .
P4 P 0.9811(3) 0.0126(3) 0.7799(2) 0.0534(8) Uani 1 1 d . . . . .
O1 O 0.2740(5) 0.6109(5) 0.7416(5) 0.0336(16) Uani 1 1 d . . . . .
F4 F 1.0479(7) 0.0075(7) 0.6998(6) 0.078(3) Uani 1 1 d . . . . .
O2 O 0.6294(7) 0.3435(6) 0.7750(6) 0.050(2) Uani 1 1 d . . . . .
N1 N 0.4802(7) 0.4752(6) 0.7843(5) 0.0273(17) Uani 1 1 d . . . . .
H1 H 0.420854 0.486062 0.799416 0.033 Uiso 1 1 calc R U . . .
F3 F 0.9410(8) -0.0593(7) 0.7485(7) 0.089(3) Uani 1 1 d . . . . .
C7 C 0.4264(7) 0.7416(7) 0.7112(6) 0.0230(16) Uani 1 1 d . U . . .
F5 F 1.0692(7) -0.0853(6) 0.8365(6) 0.072(2) Uani 1 1 d . . . . .
C1 C 0.7063(6) 0.6435(6) 0.7388(6) 0.0285(17) Uani 1 1 d D U . . .
C6 C 0.4121(7) 0.6546(7) 0.7382(6) 0.0246(16) Uani 1 1 d . U . . .
F2 F 0.8916(7) 0.1090(7) 0.7214(7) 0.080(3) Uani 1 1 d . . . . .
C00I C 0.3744(8) 0.9001(8) 0.8563(6) 0.032(2) Uani 1 1 d . . . . .
H00I H 0.394337 0.932326 0.806899 0.039 Uiso 1 1 calc R U . . .
C00J C 0.6254(7) 0.6176(7) 0.5209(6) 0.0247(19) Uani 1 1 d . . . . .
C5 C 0.4983(8) 0.5604(7) 0.7654(6) 0.0262(16) Uani 1 1 d . U . . .
C8 C 0.3289(7) 0.8297(7) 0.6803(6) 0.027(2) Uani 1 1 d . . . . .
H8A H 0.328397 0.860720 0.619001 0.032 Uiso 1 1 calc R U . . .
H8B H 0.315703 0.879953 0.714183 0.032 Uiso 1 1 calc R U . . .
C00M C 0.4420(8) 0.8054(8) 0.9040(6) 0.031(2) Uani 1 1 d . . . . .
C00N C 0.4119(8) 0.7620(8) 0.9817(7) 0.033(2) Uani 1 1 d . . . . .
H00N H 0.456154 0.699766 1.015945 0.040 Uiso 1 1 calc R U . . .
C00O C 0.4613(7) 0.8095(7) 0.4974(6) 0.025(2) Uani 1 1 d . . . . .
F6 F 1.0214(8) 0.0840(7) 0.8111(6) 0.081(3) Uani 1 1 d . . . . .
C00Q C 0.4237(8) 0.9140(7) 0.4688(6) 0.026(2) Uani 1 1 d . . . . .
H00Q H 0.460381 0.947034 0.481425 0.031 Uiso 1 1 calc R U . . .
C00R C 0.6279(9) 0.5287(8) 0.5736(7) 0.037(3) Uani 1 1 d . . . . .
H00R H 0.610789 0.526982 0.631141 0.044 Uiso 1 1 calc R U . . .
F1 F 0.9134(9) 0.0177(7) 0.8584(8) 0.100(4) Uani 1 1 d . . . . .
C4 C 0.5896(8) 0.5727(7) 0.7632(6) 0.0297(16) Uani 1 1 d . U . . .
C00U C 0.6669(9) 0.4632(8) 1.0242(7) 0.039(3) Uani 1 1 d . . . . .
H00U H 0.645247 0.412449 1.038721 0.047 Uiso 1 1 calc R U . . .
C17 C 0.5395(9) 0.2169(7) 0.7685(7) 0.035(2) Uani 1 1 d . . . . .
H17 H 0.603961 0.198650 0.750607 0.042 Uiso 1 1 calc R U . . .
C2 C 0.7563(8) 0.5370(7) 0.7737(6) 0.0282(16) Uani 1 1 d . U . . .
C00X C 0.2785(9) 0.9469(9) 0.8807(7) 0.039(3) Uani 1 1 d . . . . .
H00X H 0.233538 1.008494 0.846193 0.047 Uiso 1 1 calc R U . . .
C10 C 0.3088(8) 0.6743(7) 0.7277(6) 0.030(2) Uani 1 1 d . . . . .
C00Z C 0.6653(8) 0.7880(7) 0.5138(6) 0.029(2) Uani 1 1 d . . . . .
C16 C 0.4919(10) 0.1515(8) 0.7733(7) 0.039(3) Uani 1 1 d . . . . .
H16 H 0.524622 0.090717 0.756490 0.047 Uiso 1 1 calc R U . . .
C011 C 0.6387(8) 0.6322(7) 0.9459(6) 0.029(2) Uani 1 1 d . . . . .
C012 C 0.6198(8) 0.8333(7) 0.8777(6) 0.028(2) Uani 1 1 d . . . . .
C013 C 0.2494(8) 0.9032(8) 0.9556(7) 0.035(2) Uani 1 1 d . . . . .
H013 H 0.184590 0.935016 0.971621 0.043 Uiso 1 1 calc R U . . .
C014 C 0.6065(9) 0.5548(7) 0.9674(6) 0.031(2) Uani 1 1 d . . . . .
H014 H 0.545134 0.564853 0.943749 0.038 Uiso 1 1 calc R U . . .
C015 C 0.4048(8) 0.7612(7) 0.4791(6) 0.032(2) Uani 1 1 d . . . . .
H015 H 0.430235 0.691195 0.497076 0.038 Uiso 1 1 calc R U . . .
C3 C 0.6847(8) 0.4971(7) 0.7886(6) 0.0293(16) Uani 1 1 d . U . . .
H3 H 0.699776 0.429437 0.812294 0.035 Uiso 1 1 calc R U . . .
C017 C 0.6500(10) 0.6182(8) 0.4347(7) 0.040(3) Uani 1 1 d . . . . .
H017 H 0.648288 0.676802 0.397838 0.048 Uiso 1 1 calc R U . . .
C018 C 0.7524(8) 0.7667(8) 0.5616(7) 0.032(2) Uani 1 1 d . . . . .
H018 H 0.764135 0.729895 0.619528 0.038 Uiso 1 1 calc R U . . .
C12 C 0.4869(8) 0.3088(7) 0.7913(6) 0.030(2) Uani 1 1 d . . . . .
C11 C 0.5408(8) 0.3759(7) 0.7831(6) 0.030(2) Uani 1 1 d . . . . .
C01B C 0.7308(8) 0.6152(8) 0.9825(7) 0.035(2) Uani 1 1 d . . . . .
H01B H 0.752919 0.665712 0.969753 0.042 Uiso 1 1 calc R U . . .
C01C C 0.6553(10) 0.4427(8) 0.5416(7) 0.045(3) Uani 1 1 d . . . . .
H01C H 0.656757 0.383984 0.577828 0.054 Uiso 1 1 calc R U . . .
C01D C 0.5964(9) 0.8787(8) 0.9496(6) 0.034(2) Uani 1 1 d . . . . .
H01D H 0.551512 0.867468 0.988117 0.041 Uiso 1 1 calc R U . . .
C01E C 0.6862(8) 0.8515(7) 0.8207(6) 0.030(2) Uani 1 1 d . . . . .
H01E H 0.702804 0.821506 0.773262 0.037 Uiso 1 1 calc R U . . .
C01F C 0.6489(8) 0.8446(7) 0.4275(6) 0.031(2) Uani 1 1 d . . . . .
H01F H 0.591061 0.859680 0.394336 0.037 Uiso 1 1 calc R U . . .
C01G C 0.7034(10) 0.9602(9) 0.9043(7) 0.043(3) Uani 1 1 d . . . . .
H01G H 0.729471 1.004516 0.911817 0.052 Uiso 1 1 calc R U . . .
C01H C 0.8917(9) 0.4844(9) 0.5980(7) 0.040(3) Uani 1 1 d . . . . .
H01H H 0.871824 0.552696 0.595010 0.048 Uiso 1 1 calc R U . . .
C01I C 0.6804(9) 0.4439(8) 0.4568(7) 0.038(2) Uani 1 1 d . . . . .
H01I H 0.699493 0.386084 0.435450 0.046 Uiso 1 1 calc R U . . .
C01J C 0.6400(9) 0.9400(9) 0.9631(7) 0.040(3) Uani 1 1 d . . . . .
H01J H 0.626493 0.967642 1.011929 0.047 Uiso 1 1 calc R U . . .
C01K C 0.3317(8) 0.9689(8) 0.4214(7) 0.035(2) Uani 1 1 d . . . . .
H01K H 0.307962 1.038486 0.400998 0.042 Uiso 1 1 calc R U . . .
C13 C 0.3930(9) 0.3331(8) 0.8211(7) 0.035(2) Uani 1 1 d . . . . .
H13 H 0.359313 0.393950 0.837801 0.042 Uiso 1 1 calc R U . . .
C01M C 0.2745(9) 0.9215(8) 0.4040(7) 0.039(2) Uani 1 1 d . . . . .
H01M H 0.212455 0.958898 0.372644 0.046 Uiso 1 1 calc R U . . .
C15 C 0.4002(10) 0.1772(8) 0.8019(7) 0.042(3) Uani 1 1 d . . . . .
H15 H 0.370527 0.133198 0.805348 0.050 Uiso 1 1 calc R U . . .
C14 C 0.3481(9) 0.2686(8) 0.8266(7) 0.038(2) Uani 1 1 d . . . . .
H14 H 0.284511 0.285598 0.846391 0.045 Uiso 1 1 calc R U . . .
C01P C 0.3116(8) 0.8159(8) 0.4345(8) 0.037(2) Uani 1 1 d . . . . .
H01P H 0.273361 0.783189 0.424714 0.044 Uiso 1 1 calc R U . . .
C01Q C 0.7178(8) 0.8788(8) 0.3906(7) 0.037(2) Uani 1 1 d . . . . .
H01Q H 0.705231 0.917573 0.333328 0.045 Uiso 1 1 calc R U . . .
C01R C 0.3162(9) 0.8116(9) 1.0077(8) 0.040(3) Uani 1 1 d . . . . .
H01R H 0.297016 0.783421 1.059871 0.049 Uiso 1 1 calc R U . . .
C01S C 0.7588(10) 0.4467(9) 1.0593(7) 0.045(3) Uani 1 1 d . . . . .
H01S H 0.799074 0.384928 1.096573 0.054 Uiso 1 1 calc R U . . .
C01T C 0.7285(8) 0.9153(8) 0.8343(7) 0.032(2) Uani 1 1 d . . . . .
H01T H 0.773432 0.927149 0.796160 0.039 Uiso 1 1 calc R U . . .
C01U C 0.6771(10) 0.5318(8) 0.4035(7) 0.043(3) Uani 1 1 d . . . . .
H01U H 0.693305 0.533143 0.345760 0.051 Uiso 1 1 calc R U . . .
C01V C 1.0339(10) 0.5315(10) 0.7212(9) 0.049(3) Uani 1 1 d . . . . .
H01V H 1.061774 0.475671 0.696687 0.059 Uiso 1 1 calc R U . . .
C01W C 0.9087(9) 0.4165(9) 0.6776(8) 0.042(3) Uani 1 1 d . . . . .
C01X C 0.8048(9) 0.8559(9) 0.4382(8) 0.041(3) Uani 1 1 d . . . . .
H01X H 0.851402 0.877768 0.412808 0.049 Uiso 1 1 calc R U . . .
C01Y C 0.9371(10) 0.3143(10) 0.6835(9) 0.050(3) Uani 1 1 d . . . . .
H01Y H 0.950220 0.269653 0.738178 0.060 Uiso 1 1 calc R U . . .
C9 C 0.2493(8) 0.7871(8) 0.6936(8) 0.039(3) Uani 1 1 d . . . . .
H9A H 0.203099 0.815858 0.735548 0.047 Uiso 1 1 calc R U . . .
H9B H 0.211695 0.801900 0.638578 0.047 Uiso 1 1 calc R U . . .
C020 C 0.9458(9) 0.5517(8) 0.7658(7) 0.040(3) Uani 1 1 d . . . . .
C021 C 0.8224(9) 0.7996(9) 0.5244(8) 0.041(3) Uani 1 1 d . . . . .
H021 H 0.880644 0.784061 0.557146 0.049 Uiso 1 1 calc R U . . .
C023 C 1.0377(11) 0.6794(10) 0.7511(9) 0.054(3) Uani 1 1 d . . . . .
H023 H 1.068323 0.722734 0.745976 0.065 Uiso 1 1 calc R U . . .
C024 C 1.0773(11) 0.5972(12) 0.7153(8) 0.058(4) Uani 1 1 d . . . . .
H024 H 1.135193 0.585224 0.685984 0.069 Uiso 1 1 calc R U . . .
C025 C 0.9049(10) 0.4481(9) 0.5207(8) 0.048(3) Uani 1 1 d . . . . .
H025 H 0.896302 0.492037 0.466255 0.057 Uiso 1 1 calc R U . . .
C026 C 0.9070(9) 0.6319(9) 0.8034(10) 0.049(3) Uani 1 1 d . . . . .
H026 H 0.850543 0.643155 0.834643 0.059 Uiso 1 1 calc R U . . .
C027 C 0.7898(10) 0.5215(9) 1.0387(8) 0.045(3) Uani 1 1 d . . . . .
H027 H 0.851512 0.510151 1.062547 0.054 Uiso 1 1 calc R U . . .
C028 C 0.9457(11) 0.2794(10) 0.6085(9) 0.055(3) Uani 1 1 d . . . . .
H028 H 0.961219 0.211875 0.611843 0.067 Uiso 1 1 calc R U . . .
C029 C 0.9306(11) 0.3475(11) 0.5265(9) 0.057(3) Uani 1 1 d . . . . .
H029 H 0.938218 0.324093 0.475530 0.068 Uiso 1 1 calc R U . . .
C02C C 0.9527(11) 0.6976(11) 0.7946(10) 0.059(4) Uani 1 1 d . . . . .
H02C H 0.925057 0.753942 0.818486 0.071 Uiso 1 1 calc R U . . .
C18 C 0.9014(18) 0.2955(17) 0.8994(16) 0.050(3) Uani 0.60(2) 1 d . U P A 2
H18 H 0.841586 0.305658 0.872539 0.059 Uiso 0.60(2) 1 calc R U P A 2
C19 C 0.9470(18) 0.2141(17) 0.9693(16) 0.052(3) Uani 0.60(2) 1 d . U P A 2
H19 H 0.917211 0.171284 0.991469 0.063 Uiso 0.60(2) 1 calc R U P A 2
C02I C 1.0676(19) 0.2760(18) 0.9893(17) 0.058(3) Uani 0.60(2) 1 d . U P A 2
H02I H 1.115086 0.275669 1.027026 0.070 Uiso 0.60(2) 1 calc R U P A 2
C02G C 1.0251(18) 0.3559(17) 0.9163(16) 0.055(3) Uani 0.60(2) 1 d . U P A 2
H02G H 1.050480 0.403517 0.899910 0.066 Uiso 0.60(2) 1 calc R U P A 2
C022 C 0.9431(9) 0.3634(8) 0.8678(7) 0.052(2) Uani 1 1 d G U . . .
C02D C 0.8882(7) 0.3223(15) 0.9224(13) 0.055(4) Uani 0.40(2) 1 d G U P A 1
H02D H 0.819063 0.350346 0.912515 0.066 Uiso 0.40(2) 1 calc R U P A 1
C02E C 0.9367(9) 0.2391(15) 0.9917(13) 0.059(4) Uani 0.40(2) 1 d G U P A 1
H02E H 0.900039 0.211579 1.028174 0.070 Uiso 0.40(2) 1 calc R U P A 1
C02B C 1.0401(9) 0.1971(8) 1.0064(8) 0.059(2) Uani 1 1 d G U . A .
H02A H 1.081931 0.134439 1.041496 0.071 Uiso 0.60(2) 1 calc R U P A 2
H02B H 1.072575 0.141503 1.052765 0.071 Uiso 0.40(2) 1 calc R U P A 1
C02H C 1.0950(7) 0.2383(15) 0.9518(14) 0.059(4) Uani 0.40(2) 1 d G U P A 1
H02H H 1.164137 0.210193 0.961697 0.071 Uiso 0.40(2) 1 calc R U P A 1
C02F C 1.0465(9) 0.3214(15) 0.8825(13) 0.058(4) Uani 0.40(2) 1 d G U P A 1
H02F H 1.083163 0.348961 0.846037 0.069 Uiso 0.40(2) 1 calc R U P A 1


_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 2.411(2) . ?
Os1 P2 2.428(2) . ?
Os1 P1 2.396(2) . ?
Os1 C7 2.059(9) . ?
Os1 C1 1.839(8) . ?
Os1 C4 2.143(9) . ?
P2 C00J 1.831(9) . ?
P2 C00O 1.828(10) . ?
P2 C00Z 1.834(10) . ?
P1 C00M 1.821(11) . ?
P1 C011 1.835(10) . ?
P1 C012 1.824(10) . ?
P3 C2 1.778(11) . ?
P3 C01W 1.815(12) . ?
P3 C020 1.796(12) . ?
P3 C022 1.787(8) . ?
P4 F4 1.574(10) . ?
P4 F3 1.604(10) . ?
P4 F5 1.581(9) . ?
P4 F2 1.594(9) . ?
P4 F6 1.597(9) . ?
P4 F1 1.562(11) . ?
O1 C10 1.242(12) . ?
O2 C11 1.206(13) . ?
N1 H1 0.8600 . ?
N1 C5 1.387(12) . ?
N1 C11 1.381(13) . ?
C7 C6 1.386(13) . ?
C7 C8 1.483(13) . ?
C1 C2 1.425(13) . ?
C6 C5 1.428(14) . ?
C6 C10 1.439(15) . ?
C00I H00I 0.9300 . ?
C00I C00M 1.393(15) . ?
C00I C00X 1.380(16) . ?
C00J C00R 1.392(13) . ?
C00J C017 1.392(14) . ?
C5 C4 1.441(14) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.557(14) . ?
C00M C00N 1.406(14) . ?
C00N H00N 0.9300 . ?
C00N C01R 1.393(16) . ?
C00O C00Q 1.391(13) . ?
C00O C015 1.392(14) . ?
C00Q H00Q 0.9300 . ?
C00Q C01K 1.385(15) . ?
C00R H00R 0.9300 . ?
C00R C01C 1.387(15) . ?
C4 C3 1.379(15) . ?
C00U H00U 0.9300 . ?
C00U C014 1.391(15) . ?
C00U C01S 1.385(18) . ?
C17 H17 0.9300 . ?
C17 C16 1.424(15) . ?
C17 C12 1.391(15) . ?
C2 C3 1.418(14) . ?
C00X H00X 0.9300 . ?
C00X C013 1.366(16) . ?
C10 C9 1.512(14) . ?
C00Z C018 1.390(15) . ?
C00Z C01F 1.394(14) . ?
C16 H16 0.9300 . ?
C16 C15 1.340(18) . ?
C011 C014 1.411(14) . ?
C011 C01B 1.394(16) . ?
C012 C01D 1.408(14) . ?
C012 C01E 1.385(14) . ?
C013 H013 0.9300 . ?
C013 C01R 1.388(16) . ?
C014 H014 0.9300 . ?
C015 H015 0.9300 . ?
C015 C01P 1.380(16) . ?
C3 H3 0.9300 . ?
C017 H017 0.9300 . ?
C017 C01U 1.385(15) . ?
C018 H018 0.9300 . ?
C018 C021 1.392(15) . ?
C12 C11 1.516(13) . ?
C12 C13 1.379(16) . ?
C01B H01B 0.9300 . ?
C01B C027 1.403(15) . ?
C01C H01C 0.9300 . ?
C01C C01I 1.371(15) . ?
C01D H01D 0.9300 . ?
C01D C01J 1.386(15) . ?
C01E H01E 0.9300 . ?
C01E C01T 1.405(14) . ?
C01F H01F 0.9300 . ?
C01F C01Q 1.389(15) . ?
C01G H01G 0.9300 . ?
C01G C01J 1.378(16) . ?
C01G C01T 1.378(16) . ?
C01H H01H 0.9300 . ?
C01H C01W 1.377(16) . ?
C01H C025 1.415(16) . ?
C01I H01I 0.9300 . ?
C01I C01U 1.379(16) . ?
C01J H01J 0.9300 . ?
C01K H01K 0.9300 . ?
C01K C01M 1.385(15) . ?
C13 H13 0.9300 . ?
C13 C14 1.379(15) . ?
C01M H01M 0.9300 . ?
C01M C01P 1.408(15) . ?
C15 H15 0.9300 . ?
C15 C14 1.399(16) . ?
C14 H14 0.9300 . ?
C01P H01P 0.9300 . ?
C01Q H01Q 0.9300 . ?
C01Q C01X 1.379(17) . ?
C01R H01R 0.9300 . ?
C01S H01S 0.9300 . ?
C01S C027 1.361(17) . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
C01V H01V 0.9300 . ?
C01V C020 1.413(18) . ?
C01V C024 1.377(18) . ?
C01W C01Y 1.391(17) . ?
C01X H01X 0.9300 . ?
C01X C021 1.392(16) . ?
C01Y H01Y 0.9300 . ?
C01Y C028 1.376(18) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C020 C026 1.359(17) . ?
C021 H021 0.9300 . ?
C023 H023 0.9300 . ?
C023 C024 1.37(2) . ?
C023 C02C 1.37(2) . ?
C024 H024 0.9300 . ?
C025 H025 0.9300 . ?
C025 C029 1.375(19) . ?
C026 H026 0.9300 . ?
C026 C02C 1.399(18) . ?
C027 H027 0.9300 . ?
C028 H028 0.9300 . ?
C028 C029 1.410(19) . ?
C029 H029 0.9300 . ?
C02C H02C 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.38(3) . ?
C18 C022 1.40(2) . ?
C19 H19 0.9300 . ?
C19 C02B 1.41(3) . ?
C02I H02I 0.9300 . ?
C02I C02G 1.39(3) . ?
C02I C02B 1.38(3) . ?
C02G H02G 0.9300 . ?
C02G C022 1.40(3) . ?
C022 C02D 1.3900 . ?
C022 C02F 1.3900 . ?
C02D H02D 0.9300 . ?
C02D C02E 1.3900 . ?
C02E H02E 0.9300 . ?
C02E C02B 1.3900 . ?
C02B H02A 0.9300 . ?
C02B H02B 0.9300 . ?
C02B C02H 1.3900 . ?
C02H H02H 0.9300 . ?
C02H C02F 1.3900 . ?
C02F H02F 0.9300 . ?

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 P2 81.90(7) . . ?
P1 Os1 Cl1 87.40(7) . . ?
P1 Os1 P2 168.34(8) . . ?
C7 Os1 Cl1 91.6(3) . . ?
C7 Os1 P2 91.3(2) . . ?
C7 Os1 P1 93.6(2) . . ?
C7 Os1 C4 77.5(4) . . ?
C1 Os1 Cl1 118.2(3) . . ?
C1 Os1 P2 91.3(3) . . ?
C1 Os1 P1 89.7(3) . . ?
C1 Os1 C7 150.1(4) . . ?
C1 Os1 C4 72.7(4) . . ?
C4 Os1 Cl1 169.0(3) . . ?
C4 Os1 P2 99.3(3) . . ?
C4 Os1 P1 92.0(3) . . ?
C00J P2 Os1 120.8(3) . . ?
C00J P2 C00Z 101.9(4) . . ?
C00O P2 Os1 113.8(3) . . ?
C00O P2 C00J 101.0(4) . . ?
C00O P2 C00Z 105.6(4) . . ?
C00Z P2 Os1 112.0(3) . . ?
C00M P1 Os1 116.9(3) . . ?
C00M P1 C011 106.6(5) . . ?
C00M P1 C012 102.8(4) . . ?
C011 P1 Os1 113.2(3) . . ?
C012 P1 Os1 112.7(3) . . ?
C012 P1 C011 103.2(5) . . ?
C2 P3 C01W 105.8(5) . . ?
C2 P3 C020 109.0(5) . . ?
C2 P3 C022 114.7(5) . . ?
C020 P3 C01W 108.8(5) . . ?
C022 P3 C01W 108.0(6) . . ?
C022 P3 C020 110.3(6) . . ?
F4 P4 F3 90.0(6) . . ?
F4 P4 F5 89.9(5) . . ?
F4 P4 F2 89.7(6) . . ?
F4 P4 F6 89.8(6) . . ?
F5 P4 F3 88.7(5) . . ?
F5 P4 F2 178.3(6) . . ?
F5 P4 F6 91.2(5) . . ?
F2 P4 F3 89.7(5) . . ?
F2 P4 F6 90.4(5) . . ?
F6 P4 F3 179.8(7) . . ?
F1 P4 F4 179.0(7) . . ?
F1 P4 F3 89.2(7) . . ?
F1 P4 F5 90.7(6) . . ?
F1 P4 F2 89.7(6) . . ?
F1 P4 F6 91.0(6) . . ?
C5 N1 H1 114.4 . . ?
C11 N1 H1 114.4 . . ?
C11 N1 C5 131.2(9) . . ?
C6 C7 Os1 117.0(7) . . ?
C6 C7 C8 109.7(8) . . ?
C8 C7 Os1 133.4(7) . . ?
C2 C1 Os1 128.9(7) . . ?
C7 C6 C5 118.1(9) . . ?
C7 C6 C10 112.3(8) . . ?
C5 C6 C10 129.4(9) . . ?
C00M C00I H00I 119.3 . . ?
C00X C00I H00I 119.3 . . ?
C00X C00I C00M 121.4(10) . . ?
C00R C00J P2 120.6(7) . . ?
C017 C00J P2 121.2(7) . . ?
C017 C00J C00R 118.1(9) . . ?
N1 C5 C6 115.6(9) . . ?
N1 C5 C4 132.1(9) . . ?
C6 C5 C4 112.3(8) . . ?
C7 C8 H8A 110.6 . . ?
C7 C8 H8B 110.6 . . ?
C7 C8 C9 105.7(8) . . ?
H8A C8 H8B 108.7 . . ?
C9 C8 H8A 110.6 . . ?
C9 C8 H8B 110.6 . . ?
C00I C00M P1 117.6(8) . . ?
C00I C00M C00N 117.9(10) . . ?
C00N C00M P1 124.5(9) . . ?
C00M C00N H00N 119.9 . . ?
C01R C00N C00M 120.3(11) . . ?
C01R C00N H00N 119.9 . . ?
C00Q C00O P2 122.2(8) . . ?
C00Q C00O C015 119.3(9) . . ?
C015 C00O P2 118.4(7) . . ?
C00O C00Q H00Q 120.0 . . ?
C01K C00Q C00O 120.1(9) . . ?
C01K C00Q H00Q 120.0 . . ?
C00J C00R H00R 119.5 . . ?
C01C C00R C00J 121.1(9) . . ?
C01C C00R H00R 119.5 . . ?
C5 C4 Os1 115.1(7) . . ?
C3 C4 Os1 118.4(7) . . ?
C3 C4 C5 126.5(9) . . ?
C014 C00U H00U 119.6 . . ?
C01S C00U H00U 119.6 . . ?
C01S C00U C014 120.9(10) . . ?
C16 C17 H17 120.9 . . ?
C12 C17 H17 120.9 . . ?
C12 C17 C16 118.2(11) . . ?
C1 C2 P3 122.8(7) . . ?
C3 C2 P3 126.7(8) . . ?
C3 C2 C1 109.3(9) . . ?
C00I C00X H00X 119.9 . . ?
C013 C00X C00I 120.2(11) . . ?
C013 C00X H00X 119.9 . . ?
O1 C10 C6 126.9(9) . . ?
O1 C10 C9 125.6(10) . . ?
C6 C10 C9 107.5(8) . . ?
C018 C00Z P2 119.7(7) . . ?
C018 C00Z C01F 118.2(9) . . ?
C01F C00Z P2 121.9(8) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 C17 120.4(10) . . ?
C15 C16 H16 119.8 . . ?
C014 C011 P1 120.1(8) . . ?
C01B C011 P1 120.6(7) . . ?
C01B C011 C014 119.0(9) . . ?
C01D C012 P1 119.3(8) . . ?
C01E C012 P1 121.5(7) . . ?
C01E C012 C01D 119.1(9) . . ?
C00X C013 H013 119.9 . . ?
C00X C013 C01R 120.3(10) . . ?
C01R C013 H013 119.9 . . ?
C00U C014 C011 119.7(10) . . ?
C00U C014 H014 120.2 . . ?
C011 C014 H014 120.2 . . ?
C00O C015 H015 119.6 . . ?
C01P C015 C00O 120.8(9) . . ?
C01P C015 H015 119.6 . . ?
C4 C3 C2 110.5(9) . . ?
C4 C3 H3 124.7 . . ?
C2 C3 H3 124.7 . . ?
C00J C017 H017 119.9 . . ?
C01U C017 C00J 120.2(10) . . ?
C01U C017 H017 119.9 . . ?
C00Z C018 H018 119.4 . . ?
C00Z C018 C021 121.2(10) . . ?
C021 C018 H018 119.4 . . ?
C17 C12 C11 115.7(10) . . ?
C13 C12 C17 120.3(9) . . ?
C13 C12 C11 124.1(9) . . ?
O2 C11 N1 123.9(9) . . ?
O2 C11 C12 121.5(9) . . ?
N1 C11 C12 114.6(9) . . ?
C011 C01B H01B 120.3 . . ?
C011 C01B C027 119.4(10) . . ?
C027 C01B H01B 120.3 . . ?
C00R C01C H01C 119.8 . . ?
C01I C01C C00R 120.3(10) . . ?
C01I C01C H01C 119.8 . . ?
C012 C01D H01D 119.9 . . ?
C01J C01D C012 120.2(10) . . ?
C01J C01D H01D 119.9 . . ?
C012 C01E H01E 120.0 . . ?
C012 C01E C01T 120.1(9) . . ?
C01T C01E H01E 120.0 . . ?
C00Z C01F H01F 119.6 . . ?
C01Q C01F C00Z 120.8(10) . . ?
C01Q C01F H01F 119.6 . . ?
C01J C01G H01G 119.8 . . ?
C01J C01G C01T 120.5(10) . . ?
C01T C01G H01G 119.8 . . ?
C01W C01H H01H 120.7 . . ?
C01W C01H C025 118.5(11) . . ?
C025 C01H H01H 120.7 . . ?
C01C C01I H01I 120.4 . . ?
C01C C01I C01U 119.2(10) . . ?
C01U C01I H01I 120.4 . . ?
C01D C01J H01J 119.9 . . ?
C01G C01J C01D 120.2(10) . . ?
C01G C01J H01J 119.9 . . ?
C00Q C01K H01K 119.5 . . ?
C00Q C01K C01M 120.9(9) . . ?
C01M C01K H01K 119.5 . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 121.0(10) . . ?
C14 C13 H13 119.5 . . ?
C01K C01M H01M 120.5 . . ?
C01K C01M C01P 119.0(10) . . ?
C01P C01M H01M 120.5 . . ?
C16 C15 H15 119.3 . . ?
C16 C15 C14 121.4(9) . . ?
C14 C15 H15 119.3 . . ?
C13 C14 C15 118.7(11) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 H14 120.7 . . ?
C015 C01P C01M 119.8(10) . . ?
C015 C01P H01P 120.1 . . ?
C01M C01P H01P 120.1 . . ?
C01F C01Q H01Q 119.7 . . ?
C01X C01Q C01F 120.5(10) . . ?
C01X C01Q H01Q 119.7 . . ?
C00N C01R H01R 120.1 . . ?
C013 C01R C00N 119.8(11) . . ?
C013 C01R H01R 120.1 . . ?
C00U C01S H01S 120.3 . . ?
C027 C01S C00U 119.5(10) . . ?
C027 C01S H01S 120.3 . . ?
C01E C01T H01T 120.0 . . ?
C01G C01T C01E 119.9(10) . . ?
C01G C01T H01T 120.0 . . ?
C017 C01U H01U 119.5 . . ?
C01I C01U C017 121.1(10) . . ?
C01I C01U H01U 119.5 . . ?
C020 C01V H01V 121.1 . . ?
C024 C01V H01V 121.1 . . ?
C024 C01V C020 117.9(13) . . ?
C01H C01W P3 117.0(9) . . ?
C01H C01W C01Y 121.7(11) . . ?
C01Y C01W P3 121.3(9) . . ?
C01Q C01X H01X 120.3 . . ?
C01Q C01X C021 119.5(10) . . ?
C021 C01X H01X 120.3 . . ?
C01W C01Y H01Y 120.0 . . ?
C028 C01Y C01W 119.9(12) . . ?
C028 C01Y H01Y 120.0 . . ?
C8 C9 H9A 110.8 . . ?
C8 C9 H9B 110.8 . . ?
C10 C9 C8 104.8(8) . . ?
C10 C9 H9A 110.8 . . ?
C10 C9 H9B 110.8 . . ?
H9A C9 H9B 108.9 . . ?
C01V C020 P3 118.8(9) . . ?
C026 C020 P3 120.5(9) . . ?
C026 C020 C01V 120.7(11) . . ?
C018 C021 C01X 119.8(11) . . ?
C018 C021 H021 120.1 . . ?
C01X C021 H021 120.1 . . ?
C024 C023 H023 120.2 . . ?
C024 C023 C02C 119.6(12) . . ?
C02C C023 H023 120.2 . . ?
C01V C024 H024 119.0 . . ?
C023 C024 C01V 121.9(13) . . ?
C023 C024 H024 119.0 . . ?
C01H C025 H025 120.1 . . ?
C029 C025 C01H 119.7(11) . . ?
C029 C025 H025 120.1 . . ?
C020 C026 H026 120.3 . . ?
C020 C026 C02C 119.5(13) . . ?
C02C C026 H026 120.3 . . ?
C01B C027 H027 119.2 . . ?
C01S C027 C01B 121.5(12) . . ?
C01S C027 H027 119.2 . . ?
C01Y C028 H028 120.5 . . ?
C01Y C028 C029 119.0(13) . . ?
C029 C028 H028 120.5 . . ?
C025 C029 C028 121.0(13) . . ?
C025 C029 H029 119.5 . . ?
C028 C029 H029 119.5 . . ?
C023 C02C C026 120.4(13) . . ?
C023 C02C H02C 119.8 . . ?
C026 C02C H02C 119.8 . . ?
C19 C18 H18 119.3 . . ?
C19 C18 C022 121.5(19) . . ?
C022 C18 H18 119.3 . . ?
C18 C19 H19 120.8 . . ?
C18 C19 C02B 118.4(18) . . ?
C02B C19 H19 120.8 . . ?
C02G C02I H02I 119.7 . . ?
C02B C02I H02I 119.7 . . ?
C02B C02I C02G 121(2) . . ?
C02I C02G H02G 120.5 . . ?
C02I C02G C022 118.9(19) . . ?
C022 C02G H02G 120.5 . . ?
C18 C022 P3 122.4(12) . . ?
C18 C022 C02G 118.6(14) . . ?
C02G C022 P3 118.7(11) . . ?
C02D C022 P3 123.2(7) . . ?
C02D C022 C02F 120.0 . . ?
C02F C022 P3 116.7(7) . . ?
C022 C02D H02D 120.0 . . ?
C02E C02D C022 120.0 . . ?
C02E C02D H02D 120.0 . . ?
C02D C02E H02E 120.0 . . ?
C02D C02E C02B 120.0 . . ?
C02B C02E H02E 120.0 . . ?
C19 C02B H02A 120.8 . . ?
C02I C02B C19 118.4(14) . . ?
C02I C02B H02A 120.8 . . ?
C02E C02B H02B 120.0 . . ?
C02H C02B C02E 120.0 . . ?
C02H C02B H02B 120.0 . . ?
C02B C02H H02H 120.0 . . ?
C02F C02H C02B 120.0 . . ?
C02F C02H H02H 120.0 . . ?
C022 C02F H02F 120.0 . . ?
C02H C02F C022 120.0 . . ?
C02H C02F H02F 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 P2 C00J C00R 17.9(10) . . . . ?
Os1 P2 C00J C017 -167.2(8) . . . . ?
Os1 P2 C00O C00Q 83.6(8) . . . . ?
Os1 P2 C00O C015 -94.5(8) . . . . ?
Os1 P2 C00Z C018 37.3(9) . . . . ?
Os1 P2 C00Z C01F -148.0(7) . . . . ?
Os1 P1 C00M C00I -57.4(8) . . . . ?
Os1 P1 C00M C00N 125.3(8) . . . . ?
Os1 P1 C011 C014 -70.3(8) . . . . ?
Os1 P1 C011 C01B 104.4(8) . . . . ?
Os1 P1 C012 C01D 161.2(7) . . . . ?
Os1 P1 C012 C01E -20.7(9) . . . . ?
Os1 C7 C6 C5 -2.1(11) . . . . ?
Os1 C7 C6 C10 -177.7(6) . . . . ?
Os1 C7 C8 C9 179.3(7) . . . . ?
Os1 C1 C2 P3 170.3(5) . . . . ?
Os1 C1 C2 C3 2.2(12) . . . . ?
Os1 C4 C3 C2 -3.7(11) . . . . ?
Cl1 Os1 C1 C2 175.9(7) . . . . ?
P2 Os1 C1 C2 -102.6(8) . . . . ?
P2 C00J C00R C01C 176.0(10) . . . . ?
P2 C00J C017 C01U -175.8(10) . . . . ?
P2 C00O C00Q C01K -179.0(8) . . . . ?
P2 C00O C015 C01P 176.8(8) . . . . ?
P2 C00Z C018 C021 174.0(9) . . . . ?
P2 C00Z C01F C01Q -174.9(8) . . . . ?
P1 Os1 C1 C2 89.0(8) . . . . ?
P1 C00M C00N C01R 179.2(8) . . . . ?
P1 C011 C014 C00U 174.6(8) . . . . ?
P1 C011 C01B C027 -173.9(9) . . . . ?
P1 C012 C01D C01J 177.6(9) . . . . ?
P1 C012 C01E C01T -178.6(8) . . . . ?
P3 C2 C3 C4 -166.2(7) . . . . ?
P3 C01W C01Y C028 175.6(11) . . . . ?
P3 C020 C026 C02C -179.2(11) . . . . ?
P3 C022 C02D C02E 177.5(10) . . . . ?
P3 C022 C02F C02H -177.7(9) . . . . ?
O1 C10 C9 C8 -175.1(9) . . . . ?
N1 C5 C4 Os1 174.7(8) . . . . ?
N1 C5 C4 C3 -6.5(17) . . . . ?
C7 Os1 C1 C2 -7.7(13) . . . . ?
C7 C6 C5 N1 -174.6(8) . . . . ?
C7 C6 C5 C4 2.3(12) . . . . ?
C7 C6 C10 O1 175.7(9) . . . . ?
C7 C6 C10 C9 -2.5(11) . . . . ?
C7 C8 C9 C10 -2.8(11) . . . . ?
C1 C2 C3 C4 1.3(11) . . . . ?
C6 C7 C8 C9 1.4(11) . . . . ?
C6 C5 C4 Os1 -1.5(10) . . . . ?
C6 C5 C4 C3 177.3(9) . . . . ?
C6 C10 C9 C8 3.2(11) . . . . ?
C00I C00M C00N C01R 1.9(14) . . . . ?
C00I C00X C013 C01R 0.3(16) . . . . ?
C00J P2 C00O C00Q -145.4(8) . . . . ?
C00J P2 C00O C015 36.5(9) . . . . ?
C00J P2 C00Z C018 -93.2(8) . . . . ?
C00J P2 C00Z C01F 81.6(9) . . . . ?
C00J C00R C01C C01I 0(2) . . . . ?
C00J C017 C01U C01I -0.1(19) . . . . ?
C5 N1 C11 O2 10.2(17) . . . . ?
C5 N1 C11 C12 -168.8(9) . . . . ?
C5 C6 C10 O1 0.8(16) . . . . ?
C5 C6 C10 C9 -177.4(10) . . . . ?
C5 C4 C3 C2 177.5(9) . . . . ?
C8 C7 C6 C5 176.2(8) . . . . ?
C8 C7 C6 C10 0.7(11) . . . . ?
C00M P1 C011 C014 59.7(9) . . . . ?
C00M P1 C011 C01B -125.6(8) . . . . ?
C00M P1 C012 C01D 34.5(9) . . . . ?
C00M P1 C012 C01E -147.5(8) . . . . ?
C00M C00I C00X C013 3.4(15) . . . . ?
C00M C00N C01R C013 1.5(16) . . . . ?
C00O P2 C00J C00R -108.6(9) . . . . ?
C00O P2 C00J C017 66.3(10) . . . . ?
C00O P2 C00Z C018 161.6(8) . . . . ?
C00O P2 C00Z C01F -23.6(9) . . . . ?
C00O C00Q C01K C01M 1.9(15) . . . . ?
C00O C015 C01P C01M 2.6(17) . . . . ?
C00Q C00O C015 C01P -1.3(15) . . . . ?
C00Q C01K C01M C01P -0.6(17) . . . . ?
C00R C00J C017 C01U -0.7(17) . . . . ?
C00R C01C C01I C01U -1(2) . . . . ?
C4 Os1 C1 C2 -3.2(8) . . . . ?
C00U C01S C027 C01B -0.1(19) . . . . ?
C17 C16 C15 C14 0.9(17) . . . . ?
C17 C12 C11 O2 -14.6(15) . . . . ?
C17 C12 C11 N1 164.4(9) . . . . ?
C17 C12 C13 C14 -1.8(16) . . . . ?
C2 P3 C01W C01H 70.5(10) . . . . ?
C2 P3 C01W C01Y -107.2(11) . . . . ?
C2 P3 C020 C01V -147.4(9) . . . . ?
C2 P3 C020 C026 34.4(12) . . . . ?
C2 P3 C022 C18 45.2(18) . . . . ?
C2 P3 C022 C02G -128.1(16) . . . . ?
C2 P3 C022 C02D 17.1(16) . . . . ?
C2 P3 C022 C02F -165.3(13) . . . . ?
C00X C00I C00M P1 178.1(8) . . . . ?
C00X C00I C00M C00N -4.4(14) . . . . ?
C00X C013 C01R C00N -2.7(16) . . . . ?
C10 C6 C5 N1 0.1(14) . . . . ?
C10 C6 C5 C4 177.0(9) . . . . ?
C00Z P2 C00J C00R 142.7(9) . . . . ?
C00Z P2 C00J C017 -42.4(10) . . . . ?
C00Z P2 C00O C00Q -39.7(9) . . . . ?
C00Z P2 C00O C015 142.3(8) . . . . ?
C00Z C018 C021 C01X 0.8(17) . . . . ?
C00Z C01F C01Q C01X 1.2(16) . . . . ?
C16 C17 C12 C11 -178.8(9) . . . . ?
C16 C17 C12 C13 2.6(15) . . . . ?
C16 C15 C14 C13 0.0(17) . . . . ?
C011 P1 C00M C00I 174.7(7) . . . . ?
C011 P1 C00M C00N -2.5(9) . . . . ?
C011 P1 C012 C01D -76.3(9) . . . . ?
C011 P1 C012 C01E 101.8(9) . . . . ?
C011 C01B C027 C01S -0.7(18) . . . . ?
C012 P1 C00M C00I 66.5(8) . . . . ?
C012 P1 C00M C00N -110.8(9) . . . . ?
C012 P1 C011 C014 167.5(8) . . . . ?
C012 P1 C011 C01B -17.7(9) . . . . ?
C012 C01D C01J C01G 2.6(17) . . . . ?
C012 C01E C01T C01G -0.4(16) . . . . ?
C014 C00U C01S C027 0.8(17) . . . . ?
C014 C011 C01B C027 0.9(15) . . . . ?
C015 C00O C00Q C01K -0.9(14) . . . . ?
C017 C00J C00R C01C 0.9(18) . . . . ?
C018 C00Z C01F C01Q 0.0(15) . . . . ?
C12 C17 C16 C15 -2.2(16) . . . . ?
C12 C13 C14 C15 0.5(16) . . . . ?
C11 N1 C5 C6 155.1(10) . . . . ?
C11 N1 C5 C4 -21.0(17) . . . . ?
C11 C12 C13 C14 179.7(10) . . . . ?
C01B C011 C014 C00U -0.2(14) . . . . ?
C01C C01I C01U C017 1(2) . . . . ?
C01D C012 C01E C01T -0.6(15) . . . . ?
C01E C012 C01D C01J -0.5(16) . . . . ?
C01F C00Z C018 C021 -0.9(15) . . . . ?
C01F C01Q C01X C021 -1.3(18) . . . . ?
C01H C01W C01Y C028 -2(2) . . . . ?
C01H C025 C029 C028 -1(2) . . . . ?
C01J C01G C01T C01E 2.5(18) . . . . ?
C01K C01M C01P C015 -1.6(17) . . . . ?
C13 C12 C11 O2 163.9(11) . . . . ?
C13 C12 C11 N1 -17.1(14) . . . . ?
C01Q C01X C021 C018 0.3(18) . . . . ?
C01S C00U C014 C011 -0.6(16) . . . . ?
C01T C01G C01J C01D -3.7(19) . . . . ?
C01V C020 C026 C02C 3(2) . . . . ?
C01W P3 C2 C1 -95.6(9) . . . . ?
C01W P3 C2 C3 70.3(10) . . . . ?
C01W P3 C020 C01V -32.4(11) . . . . ?
C01W P3 C020 C026 149.4(10) . . . . ?
C01W P3 C022 C18 -72.5(18) . . . . ?
C01W P3 C022 C02G 114.2(16) . . . . ?
C01W P3 C022 C02D -100.6(15) . . . . ?
C01W P3 C022 C02F 77.0(14) . . . . ?
C01W C01H C025 C029 2.4(19) . . . . ?
C01W C01Y C028 C029 3(2) . . . . ?
C01Y C028 C029 C025 -2(2) . . . . ?
C020 P3 C2 C1 21.2(9) . . . . ?
C020 P3 C2 C3 -172.8(9) . . . . ?
C020 P3 C01W C01H -46.4(11) . . . . ?
C020 P3 C01W C01Y 135.9(11) . . . . ?
C020 P3 C022 C18 168.7(16) . . . . ?
C020 P3 C022 C02G -4.6(17) . . . . ?
C020 P3 C022 C02D 140.6(15) . . . . ?
C020 P3 C022 C02F -41.8(14) . . . . ?
C020 C01V C024 C023 0(2) . . . . ?
C020 C026 C02C C023 -2(2) . . . . ?
C024 C01V C020 P3 -179.9(10) . . . . ?
C024 C01V C020 C026 -1.7(19) . . . . ?
C024 C023 C02C C026 1(2) . . . . ?
C025 C01H C01W P3 -178.6(9) . . . . ?
C025 C01H C01W C01Y -0.9(19) . . . . ?
C02C C023 C024 C01V 0(2) . . . . ?
C18 C19 C02B C02I 18(3) . . . . ?
C19 C18 C022 P3 177.6(18) . . . . ?
C19 C18 C022 C02G -9(3) . . . . ?
C02I C02G C022 P3 179.4(19) . . . . ?
C02I C02G C022 C18 6(3) . . . . ?
C02G C02I C02B C19 -22(3) . . . . ?
C022 P3 C2 C1 145.4(8) . . . . ?
C022 P3 C2 C3 -48.6(10) . . . . ?
C022 P3 C01W C01H -166.2(9) . . . . ?
C022 P3 C01W C01Y 16.1(12) . . . . ?
C022 P3 C020 C01V 85.9(11) . . . . ?
C022 P3 C020 C026 -92.3(12) . . . . ?
C022 C18 C19 C02B -3(3) . . . . ?
C022 C02D C02E C02B 0.0 . . . . ?
C02D C022 C02F C02H 0.0 . . . . ?
C02D C02E C02B C02H 0.0 . . . . ?
C02E C02B C02H C02F 0.0 . . . . ?
C02B C02I C02G C022 10(4) . . . . ?
C02B C02H C02F C022 0.0 . . . . ?
C02F C022 C02D C02E 0.0 . . . . ?

_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 0.500 122.1 43.8 '1 CH2Cl2'
2 0.163 0.277 0.697 43.4 0.0 '1 H2O'
3 0.837 0.723 0.303 43.4 0.0 '1 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.896
_oxdiff_exptl_absorpt_empirical_full_min 0.576
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 2069503'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-03-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        5
_chemical_formula_moiety         'C64 H50 Cl O2 Os P3, 2(C H2 Cl2), H2 O'
_chemical_formula_sum            'C66 H56 Cl5 O3 Os P3'
_chemical_formula_weight         1357.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         OsP3C50H60O2
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'
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      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                   12.60580(10)
_cell_length_b                   13.68200(10)
_cell_length_c                   35.3873(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.2200(10)
_cell_angle_gamma                90
_cell_volume                     6093.70(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    42379
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      75.2010
_cell_measurement_theta_min      3.4520
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.071
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             2728
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            78888
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.259
_diffrn_reflns_theta_min         2.501
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -27.00  11.00   0.50    0.60    --   43.10 -61.00 -20.00   76
  2  ω     30.00  62.00   0.50    0.60    --   43.10 -61.00 -20.00   64
  3  ω     47.00  99.00   0.50    0.60    --   43.10-125.00   0.00  104
  4  ω     35.00  70.00   0.50    1.70    --  109.34 -61.00 -20.00   70
  5  ω     75.00 108.00   0.50    1.70    --  109.34 -94.00 -30.00   66
  6  ω     67.00 120.00   0.50    1.70    --  109.34-133.00 -16.28  106
  7  ω     83.00 108.00   0.50    1.70    --  109.34 -94.00  60.00   50
  8  ω     62.00  90.00   0.50    1.70    --  109.34 -94.00  30.00   56
  9  ω     38.00 116.00   0.50    1.70    --  109.34-125.00  90.00  156
 10  ω     35.00 117.00   0.50    1.70    --  109.34-125.00   0.00  164
 11  ω     73.00 101.00   0.50    1.70    --  109.34 -94.00-120.00   56
 12  ω     90.00 117.00   0.50    1.70    --  109.34-125.00-120.00   54
 13  ω     67.00  93.00   0.50    1.70    --  109.34 -77.00-180.00   52
 14  ω     49.00  75.00   0.50    1.70    --  109.34-125.00-120.00   52
 15  ω     44.00 105.00   0.50    1.70    --  109.34-125.00-150.00  122
 16  ω     36.00  82.00   0.50    1.70    --  109.34 -77.00-150.00   92
 17  ω     42.00  70.00   0.50    1.70    --  109.34 -61.00-120.00   56
 18  ω     35.00  69.00   0.50    1.70    --  109.34 -61.00 -90.00   68
 19  ω     36.00  71.00   0.50    1.70    --  109.34 -61.00   0.00   70
 20  ω     96.00 178.00   0.50    1.70    --  109.34  30.00 -90.00  164
 21  ω    149.00 175.00   0.50    1.70    --  109.34  61.00-120.00   52
 22  ω    124.00 178.00   0.50    1.70    --  109.34  45.00-180.00  108
 23  ω    139.00 175.00   0.50    1.70    --  109.34 125.00-120.00   72
 24  ω    134.00 177.00   0.50    1.70    --  109.34  45.00   0.00   86
 25  ω    127.00 168.00   0.50    1.70    --  109.34  30.00  60.00   82
 26  ω    100.00 126.00   0.50    1.70    --  109.34  30.00  60.00   52
 27  ω     85.00 163.00   0.50    1.70    --  109.34  61.00 118.00  156
 28  ω     84.00 117.00   0.50    1.70    --  109.34  45.00   0.00   66
 29  ω     95.00 146.00   0.50    1.70    --  109.34  45.00 -30.00  102
 30  ω     92.00 176.00   0.50    1.70    --  109.34 125.00 -60.00  168
 31  ω    112.00 137.00   0.50    1.70    --  109.34 125.00-120.00   50
 32  ω     87.00 116.00   0.50    1.70    --  109.34  45.00-180.00   58
 33  ω    102.00 129.00   0.50    1.70    --  109.34  61.00-120.00   54
 34  ω     19.00 112.00   0.50    0.60    --   43.10  61.00 118.00  186
 35  ω     85.00 172.00   0.50    1.70    --  109.34  61.00 150.00  174
 36  ω     37.00 116.00   0.50    1.70    --  109.34-125.00 120.00  158
 37  ω    -17.00  29.00   0.50    0.60    --  -43.10  61.00 118.00   92
 38  ω    -40.00 -13.00   0.50    1.70    --  -90.25  45.00 120.00   54
 39  ω    -69.00 -16.00   0.50    1.70    --  -90.25  61.00 118.00  106
 40  ω    -68.00 -42.00   0.50    0.60    --  -43.10  61.00 118.00   52
 41  ω    -83.00 -31.00   0.50    0.60    --  -43.10 125.00 150.00  104
 42  ω    -67.00 -23.00   0.50    1.70    --  -90.25  61.00 -60.00   88
 43  ω    -51.00 -13.00   0.50    1.70    --  -90.25  45.00-120.00   76
 44  ω      3.00  29.00   0.50    0.60    --  -43.10  19.00-150.00   52
 45  ω    -97.00 -71.00   0.50    0.60    --  -43.10-125.00  60.00   52
 46  ω   -110.00 -21.00   0.50    0.60    --  -43.10 -61.00 -20.00  178
 47  ω   -111.00 -78.00   0.50    1.70    --  -90.25 -61.00 -20.00   66
 48  ω   -118.00 -82.00   0.50    0.60    --  -43.10-125.00 -90.00   72
 49  ω   -110.00 -72.00   0.50    0.60    --  -43.10-125.00  90.00   76
 50  ω   -162.00 -73.00   0.50    1.70    --  -90.25-125.00 120.00  178
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1045858000
_diffrn_orient_matrix_UB_12      0.0343078000
_diffrn_orient_matrix_UB_13      0.0203929000
_diffrn_orient_matrix_UB_21      0.0038021000
_diffrn_orient_matrix_UB_22      -0.0944632000
_diffrn_orient_matrix_UB_23      0.0237568000
_diffrn_orient_matrix_UB_31      0.0634354000
_diffrn_orient_matrix_UB_32      -0.0508450000
_diffrn_orient_matrix_UB_33      -0.0303410000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11674
_reflns_number_total             12462
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.960
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         12462
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.035
_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)+(0.0292P)²+17.4435P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0750
_refine_special_details          SQUEEZE
_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 O(H,H) groups
2.a Free rotating group:
 O00E(H00A,H00B)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C027(H02A,H02B), C029(H02C,H02D)
2.c Aromatic/amide H refined with riding coordinates:
 C00I(H00I), C00J(H00J), C3(H3), C00R(H00R), C00T(H00T), C00X(H00X),
 C00Z(H00Z), C010(H010), C011(H011), C013(H013), C014(H014), C015(H015),
 C016(H016), C017(H017), C018(H018), C019(H019), C01A(H01A), C01B(H01B),
 C01D(H01D), C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I),
 C01J(H01J), C01K(H01K), C01L(H01L), C01N(H01N), C01P(H01P), C01Q(H01Q),
 C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W),
 C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022),
 C023(H023), C024(H024), C025(H025), C026(H026)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Os01 Os 0.68527(2) 0.61002(2) 0.35275(2) 0.01307(4) Uani 1 1 d . . . . .
Cl00 Cl 0.64758(5) 0.62914(5) 0.28394(2) 0.01553(12) Uani 1 1 d . . . . .
P3 P 0.78944(5) 0.33041(5) 0.41500(2) 0.01438(13) Uani 1 1 d . . . . .
P1 P 0.86489(5) 0.65013(5) 0.34156(2) 0.01481(13) Uani 1 1 d . . . . .
P2 P 0.50106(5) 0.56935(5) 0.35392(2) 0.01426(13) Uani 1 1 d . . . . .
Cl1 Cl 0.59348(9) 0.84745(8) 0.62461(3) 0.0511(2) Uani 1 1 d . . . . .
Cl2 Cl 0.81969(10) 1.00247(10) 0.41383(5) 0.0710(4) Uani 1 1 d . . . . .
Cl3 Cl 1.02452(11) 0.94604(10) 0.44965(5) 0.0733(4) Uani 1 1 d . . . . .
Cl4 Cl 0.73955(13) 0.99026(10) 0.59672(4) 0.0733(4) Uani 1 1 d . . . . .
O2 O 0.68269(17) 0.71585(15) 0.46703(6) 0.0211(4) Uani 1 1 d . . . . .
O1 O 0.56685(18) 0.91799(16) 0.43592(6) 0.0261(5) Uani 1 1 d . . . . .
O00E O 0.6973(2) 0.8923(2) 0.50437(8) 0.0406(6) Uani 1 1 d G . . . .
H00A H 0.692395 0.834957 0.495218 0.061 Uiso 1 1 d G U . . .
H00B H 0.659517 0.927327 0.489022 0.061 Uiso 1 1 d G U . . .
C4 C 0.7031(2) 0.6148(2) 0.41238(7) 0.0151(5) Uani 1 1 d . . . . .
C1 C 0.7265(2) 0.4852(2) 0.36933(8) 0.0153(5) Uani 1 1 d . . . . .
C00H C 0.7157(2) 0.2763(2) 0.45195(8) 0.0181(6) Uani 1 1 d . . . . .
C00I C 0.8392(3) 0.2752(2) 0.34333(9) 0.0240(6) Uani 1 1 d . . . . .
H00I H 0.897574 0.316330 0.347179 0.029 Uiso 1 1 calc R U . . .
C00J C 0.3387(3) 0.7053(3) 0.37059(10) 0.0291(7) Uani 1 1 d . . . . .
H00J H 0.340329 0.678809 0.394820 0.035 Uiso 1 1 calc R U . . .
C00K C 0.4565(2) 0.4805(2) 0.31779(8) 0.0183(6) Uani 1 1 d . . . . .
C00L C 0.4507(2) 0.5138(2) 0.39654(8) 0.0167(5) Uani 1 1 d . . . . .
C00M C 0.4075(2) 0.6708(2) 0.34440(8) 0.0191(6) Uani 1 1 d . . . . .
C6 C 0.6412(2) 0.7783(2) 0.40433(8) 0.0173(5) Uani 1 1 d . . . . .
C00O C 0.7690(2) 0.2620(2) 0.37173(8) 0.0189(6) Uani 1 1 d . . . . .
C00P C 0.9639(2) 0.6300(2) 0.38062(8) 0.0189(6) Uani 1 1 d . . . . .
C3 C 0.7329(2) 0.5312(2) 0.43122(7) 0.0155(5) Uani 1 1 d . . . . .
H3 H 0.742078 0.526383 0.457412 0.019 Uiso 1 1 calc R U . . .
C00R C 0.9514(2) 0.6782(2) 0.41490(9) 0.0220(6) Uani 1 1 d . . . . .
H00R H 0.889351 0.713034 0.418431 0.026 Uiso 1 1 calc R U . . .
C10 C 0.5897(2) 0.8736(2) 0.40748(8) 0.0196(6) Uani 1 1 d . . . . .
C00T C 0.3983(2) 0.4242(2) 0.39514(8) 0.0188(6) Uani 1 1 d . . . . .
H00T H 0.392400 0.389499 0.372519 0.023 Uiso 1 1 calc R U . . .
C00U C 0.8920(2) 0.7772(2) 0.32774(8) 0.0180(6) Uani 1 1 d . . . . .
C5 C 0.6764(2) 0.7052(2) 0.43189(8) 0.0163(5) Uani 1 1 d . . . . .
C7 C 0.6473(2) 0.7513(2) 0.36688(8) 0.0167(5) Uani 1 1 d . . . . .
C00X C 0.4594(2) 0.5646(2) 0.43100(8) 0.0200(6) Uani 1 1 d . . . . .
H00X H 0.495158 0.624022 0.432500 0.024 Uiso 1 1 calc R U . . .
C2 C 0.7486(2) 0.4508(2) 0.40539(8) 0.0154(5) Uani 1 1 d . . . . .
C00Z C 0.7345(3) 0.1659(2) 0.30317(9) 0.0268(7) Uani 1 1 d . . . . .
H00Z H 0.723108 0.133393 0.280219 0.032 Uiso 1 1 calc R U . . .
C010 C 0.8744(2) 0.4969(2) 0.28835(8) 0.0214(6) Uani 1 1 d . . . . .
H010 H 0.815897 0.470814 0.299647 0.026 Uiso 1 1 calc R U . . .
C011 C 0.8217(3) 0.2264(3) 0.30904(9) 0.0289(7) Uani 1 1 d . . . . .
H011 H 0.868873 0.234462 0.289994 0.035 Uiso 1 1 calc R U . . .
C012 C 0.9198(2) 0.5838(2) 0.30191(8) 0.0189(6) Uani 1 1 d . . . . .
C013 C 0.9756(2) 0.3990(2) 0.45035(9) 0.0223(6) Uani 1 1 d . . . . .
H013 H 0.941805 0.459371 0.451181 0.027 Uiso 1 1 calc R U . . .
C014 C 0.7649(3) 0.2120(3) 0.47819(9) 0.0287(7) Uani 1 1 d . . . . .
H014 H 0.837240 0.199207 0.477631 0.034 Uiso 1 1 calc R U . . .
C015 C 1.0549(2) 0.5735(2) 0.37670(9) 0.0246(6) Uani 1 1 d . . . . .
H015 H 1.063236 0.538776 0.354459 0.030 Uiso 1 1 calc R U . . .
C016 C 1.0503(3) 0.5723(2) 0.25454(10) 0.0286(7) Uani 1 1 d . . . . .
H016 H 1.109637 0.597309 0.243412 0.034 Uiso 1 1 calc R U . . .
C017 C 0.8626(3) 0.9059(2) 0.28143(10) 0.0269(7) Uani 1 1 d . . . . .
H017 H 0.828702 0.928409 0.259082 0.032 Uiso 1 1 calc R U . . .
C018 C 0.3538(3) 0.4849(3) 0.30123(10) 0.0319(8) Uani 1 1 d . . . . .
H018 H 0.309640 0.536983 0.306619 0.038 Uiso 1 1 calc R U . . .
C019 C 1.0085(3) 0.6209(2) 0.28483(9) 0.0245(6) Uani 1 1 d . . . . .
H019 H 1.039939 0.678518 0.293788 0.029 Uiso 1 1 calc R U . . .
C01A C 0.8423(3) 0.8120(2) 0.29411(9) 0.0245(6) Uani 1 1 d . . . . .
H01A H 0.795135 0.771957 0.280102 0.029 Uiso 1 1 calc R U . . .
C01B C 0.9327(3) 0.9660(2) 0.30169(10) 0.0289(7) Uani 1 1 d . . . . .
H01B H 0.946319 1.028785 0.293121 0.035 Uiso 1 1 calc R U . . .
C8 C 0.6162(2) 0.8369(2) 0.34161(8) 0.0206(6) Uani 1 1 d . . . . .
H8A H 0.567626 0.816416 0.320888 0.025 Uiso 1 1 calc R U . . .
H8B H 0.678385 0.866160 0.331272 0.025 Uiso 1 1 calc R U . . .
C01D C 1.1260(2) 0.2960(3) 0.46701(9) 0.0284(7) Uani 1 1 d . . . . .
H01D H 1.191794 0.287117 0.479804 0.034 Uiso 1 1 calc R U . . .
C01E C 0.6073(2) 0.2956(2) 0.45314(9) 0.0240(6) Uani 1 1 d . . . . .
H01E H 0.574388 0.339037 0.436012 0.029 Uiso 1 1 calc R U . . .
C01F C 1.0040(3) 0.4870(2) 0.24093(9) 0.0277(7) Uani 1 1 d . . . . .
H01F H 1.031383 0.455057 0.220421 0.033 Uiso 1 1 calc R U . . .
C01G C 0.3629(2) 0.4369(2) 0.46116(9) 0.0224(6) Uani 1 1 d . . . . .
H01G H 0.333655 0.411412 0.482611 0.027 Uiso 1 1 calc R U . . .
C01H C 0.3547(2) 0.3859(2) 0.42728(9) 0.0232(6) Uani 1 1 d . . . . .
H01H H 0.320063 0.325845 0.426013 0.028 Uiso 1 1 calc R U . . .
C01I C 1.0306(3) 0.6744(3) 0.44372(9) 0.0267(7) Uani 1 1 d . . . . .
H01I H 1.022301 0.708163 0.466183 0.032 Uiso 1 1 calc R U . . .
C01J C 0.4032(3) 0.7119(3) 0.30820(9) 0.0267(7) Uani 1 1 d . . . . .
H01J H 0.448571 0.689242 0.290304 0.032 Uiso 1 1 calc R U . . .
C01K C 1.0757(3) 0.3853(3) 0.46838(10) 0.0284(7) Uani 1 1 d . . . . .
H01K H 1.108882 0.436908 0.481453 0.034 Uiso 1 1 calc R U . . .
C01L C 1.1220(3) 0.6205(3) 0.43908(10) 0.0301(7) Uani 1 1 d . . . . .
H01L H 1.175668 0.619069 0.458200 0.036 Uiso 1 1 calc R U . . .
C9 C 0.5623(3) 0.9090(2) 0.36742(9) 0.0267(7) Uani 1 1 d . . . . .
H9A H 0.588830 0.974729 0.363900 0.032 Uiso 1 1 calc R U . . .
H9B H 0.485924 0.908951 0.362095 0.032 Uiso 1 1 calc R U . . .
C01N C 0.5210(2) 0.4015(2) 0.30970(9) 0.0220(6) Uani 1 1 d . . . . .
H01N H 0.589778 0.397963 0.320554 0.026 Uiso 1 1 calc R U . . .
C01O C 0.9270(2) 0.3208(2) 0.43106(8) 0.0188(6) Uani 1 1 d . . . . .
C01P C 0.9167(3) 0.4491(2) 0.25788(9) 0.0264(7) Uani 1 1 d . . . . .
H01P H 0.886046 0.391199 0.248858 0.032 Uiso 1 1 calc R U . . .
C01Q C 0.3172(3) 0.4119(3) 0.27678(12) 0.0413(10) Uani 1 1 d . . . . .
H01Q H 0.248832 0.415614 0.265582 0.050 Uiso 1 1 calc R U . . .
C01R C 0.4831(3) 0.3280(2) 0.28552(9) 0.0256(6) Uani 1 1 d . . . . .
H01R H 0.526295 0.275028 0.280541 0.031 Uiso 1 1 calc R U . . .
C01S C 1.0793(3) 0.2199(3) 0.44677(10) 0.0300(7) Uani 1 1 d . . . . .
H01S H 1.114794 0.160570 0.445155 0.036 Uiso 1 1 calc R U . . .
C01T C 0.4150(2) 0.5267(2) 0.46287(8) 0.0223(6) Uani 1 1 d . . . . .
H01T H 0.420156 0.561351 0.485501 0.027 Uiso 1 1 calc R U . . .
C01U C 0.7053(3) 0.1673(3) 0.50498(11) 0.0379(9) Uani 1 1 d . . . . .
H01U H 0.737972 0.124715 0.522475 0.045 Uiso 1 1 calc R U . . .
C01V C 1.1332(3) 0.5690(3) 0.40597(10) 0.0305(7) Uani 1 1 d . . . . .
H01V H 1.193431 0.530989 0.403235 0.037 Uiso 1 1 calc R U . . .
C01W C 0.3816(3) 0.3331(3) 0.26880(10) 0.0319(8) Uani 1 1 d . . . . .
H01W H 0.356623 0.284247 0.252348 0.038 Uiso 1 1 calc R U . . .
C01X C 0.2668(3) 0.7800(3) 0.36056(12) 0.0397(9) Uani 1 1 d . . . . .
H01X H 0.220616 0.802629 0.378190 0.048 Uiso 1 1 calc R U . . .
C01Y C 0.5975(3) 0.1855(3) 0.50597(10) 0.0322(8) Uani 1 1 d . . . . .
H01Y H 0.557870 0.155018 0.523956 0.039 Uiso 1 1 calc R U . . .
C01Z C 0.5490(3) 0.2495(3) 0.48003(10) 0.0292(7) Uani 1 1 d . . . . .
H01Z H 0.476487 0.261581 0.480654 0.035 Uiso 1 1 calc R U . . .
C020 C 0.9824(3) 0.9318(3) 0.33498(11) 0.0351(8) Uani 1 1 d . . . . .
H020 H 1.029850 0.971951 0.348806 0.042 Uiso 1 1 calc R U . . .
C021 C 0.3318(3) 0.7861(3) 0.29878(10) 0.0311(7) Uani 1 1 d . . . . .
H021 H 0.329839 0.813068 0.274627 0.037 Uiso 1 1 calc R U . . .
C022 C 0.9622(3) 0.8381(2) 0.34794(9) 0.0266(7) Uani 1 1 d . . . . .
H022 H 0.996154 0.816104 0.370361 0.032 Uiso 1 1 calc R U . . .
C023 C 0.6642(3) 0.1536(3) 0.33146(9) 0.0298(7) Uani 1 1 d . . . . .
H023 H 0.605037 0.113607 0.327301 0.036 Uiso 1 1 calc R U . . .
C024 C 0.9797(2) 0.2315(2) 0.42884(9) 0.0256(6) Uani 1 1 d . . . . .
H024 H 0.947974 0.179910 0.415348 0.031 Uiso 1 1 calc R U . . .
C025 C 0.2636(3) 0.8203(3) 0.32481(12) 0.0377(8) Uani 1 1 d . . . . .
H025 H 0.215856 0.870228 0.318353 0.045 Uiso 1 1 calc R U . . .
C026 C 0.6814(3) 0.2010(2) 0.36616(9) 0.0247(6) Uani 1 1 d . . . . .
H026 H 0.634873 0.191880 0.385333 0.030 Uiso 1 1 calc R U . . .
C027 C 0.6230(3) 0.9218(3) 0.58586(12) 0.0441(9) Uani 1 1 d . . . . .
H02A H 0.564092 0.965746 0.579861 0.053 Uiso 1 1 calc R U . . .
H02B H 0.632896 0.881137 0.563875 0.053 Uiso 1 1 calc R U . . .
C029 C 0.8854(5) 0.9384(5) 0.4519(2) 0.090(2) Uani 1 1 d . . . . .
H02C H 0.864780 0.965637 0.475683 0.107 Uiso 1 1 calc R U . . .
H02D H 0.863953 0.870305 0.450990 0.107 Uiso 1 1 calc R 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
Os01 Cl00 2.4683(6) . ?
Os01 P1 2.3843(7) . ?
Os01 P2 2.3906(7) . ?
Os01 C4 2.111(3) . ?
Os01 C1 1.870(3) . ?
Os01 C7 2.059(3) . ?
P3 C00H 1.805(3) . ?
P3 C00O 1.801(3) . ?
P3 C2 1.754(3) . ?
P3 C01O 1.799(3) . ?
P1 C00P 1.831(3) . ?
P1 C00U 1.843(3) . ?
P1 C012 1.838(3) . ?
P2 C00K 1.829(3) . ?
P2 C00L 1.833(3) . ?
P2 C00M 1.839(3) . ?
Cl1 C027 1.763(5) . ?
Cl2 C029 1.773(8) . ?
Cl3 C029 1.762(6) . ?
Cl4 C027 1.767(5) . ?
O2 C5 1.250(3) . ?
O1 C10 1.223(4) . ?
O00E H00A 0.8495 . ?
O00E H00B 0.8498 . ?
C4 C3 1.366(4) . ?
C4 C5 1.465(4) . ?
C1 C2 1.374(4) . ?
C00H C014 1.399(4) . ?
C00H C01E 1.394(4) . ?
C00I H00I 0.9300 . ?
C00I C00O 1.388(4) . ?
C00I C011 1.392(4) . ?
C00J H00J 0.9300 . ?
C00J C00M 1.388(5) . ?
C00J C01X 1.398(5) . ?
C00K C018 1.393(4) . ?
C00K C01N 1.391(4) . ?
C00L C00T 1.393(4) . ?
C00L C00X 1.402(4) . ?
C00M C01J 1.397(4) . ?
C6 C10 1.464(4) . ?
C6 C5 1.449(4) . ?
C6 C7 1.382(4) . ?
C00O C026 1.389(4) . ?
C00P C00R 1.397(4) . ?
C00P C015 1.397(4) . ?
C3 H3 0.9300 . ?
C3 C2 1.450(4) . ?
C00R H00R 0.9300 . ?
C00R C01I 1.388(4) . ?
C10 C9 1.519(4) . ?
C00T H00T 0.9300 . ?
C00T C01H 1.393(4) . ?
C00U C01A 1.398(4) . ?
C00U C022 1.385(4) . ?
C7 C8 1.512(4) . ?
C00X H00X 0.9300 . ?
C00X C01T 1.388(4) . ?
C00Z H00Z 0.9300 . ?
C00Z C011 1.382(5) . ?
C00Z C023 1.384(5) . ?
C010 H010 0.9300 . ?
C010 C012 1.393(4) . ?
C010 C01P 1.393(4) . ?
C011 H011 0.9300 . ?
C012 C019 1.396(4) . ?
C013 H013 0.9300 . ?
C013 C01K 1.395(4) . ?
C013 C01O 1.393(4) . ?
C014 H014 0.9300 . ?
C014 C01U 1.384(5) . ?
C015 H015 0.9300 . ?
C015 C01V 1.391(5) . ?
C016 H016 0.9300 . ?
C016 C019 1.390(5) . ?
C016 C01F 1.379(5) . ?
C017 H017 0.9300 . ?
C017 C01A 1.390(4) . ?
C017 C01B 1.378(5) . ?
C018 H018 0.9300 . ?
C018 C01Q 1.384(5) . ?
C019 H019 0.9300 . ?
C01A H01A 0.9300 . ?
C01B H01B 0.9300 . ?
C01B C020 1.385(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.530(4) . ?
C01D H01D 0.9300 . ?
C01D C01K 1.379(5) . ?
C01D C01S 1.377(5) . ?
C01E H01E 0.9300 . ?
C01E C01Z 1.387(5) . ?
C01F H01F 0.9300 . ?
C01F C01P 1.383(5) . ?
C01G H01G 0.9300 . ?
C01G C01H 1.386(5) . ?
C01G C01T 1.392(5) . ?
C01H H01H 0.9300 . ?
C01I H01I 0.9300 . ?
C01I C01L 1.386(5) . ?
C01J H01J 0.9300 . ?
C01J C021 1.386(5) . ?
C01K H01K 0.9300 . ?
C01L H01L 0.9300 . ?
C01L C01V 1.382(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C01N H01N 0.9300 . ?
C01N C01R 1.388(4) . ?
C01O C024 1.394(4) . ?
C01P H01P 0.9300 . ?
C01Q H01Q 0.9300 . ?
C01Q C01W 1.387(5) . ?
C01R H01R 0.9300 . ?
C01R C01W 1.381(5) . ?
C01S H01S 0.9300 . ?
C01S C024 1.384(5) . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
C01U C01Y 1.383(5) . ?
C01V H01V 0.9300 . ?
C01W H01W 0.9300 . ?
C01X H01X 0.9300 . ?
C01X C025 1.379(6) . ?
C01Y H01Y 0.9300 . ?
C01Y C01Z 1.385(5) . ?
C01Z H01Z 0.9300 . ?
C020 H020 0.9300 . ?
C020 C022 1.391(5) . ?
C021 H021 0.9300 . ?
C021 C025 1.377(6) . ?
C022 H022 0.9300 . ?
C023 H023 0.9300 . ?
C023 C026 1.395(4) . ?
C024 H024 0.9300 . ?
C025 H025 0.9300 . ?
C026 H026 0.9300 . ?
C027 H02A 0.9700 . ?
C027 H02B 0.9700 . ?
C029 H02C 0.9700 . ?
C029 H02D 0.9700 . ?

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 Os01 Cl00 86.78(2) . . ?
P1 Os01 P2 171.46(2) . . ?
P2 Os01 Cl00 84.75(2) . . ?
C4 Os01 Cl00 170.67(8) . . ?
C4 Os01 P1 96.34(8) . . ?
C4 Os01 P2 92.21(8) . . ?
C1 Os01 Cl00 116.17(8) . . ?
C1 Os01 P1 90.72(8) . . ?
C1 Os01 P2 92.00(8) . . ?
C1 Os01 C4 72.69(11) . . ?
C1 Os01 C7 147.69(11) . . ?
C7 Os01 Cl00 96.06(8) . . ?
C7 Os01 P1 93.46(8) . . ?
C7 Os01 P2 88.56(8) . . ?
C7 Os01 C4 75.01(11) . . ?
C00O P3 C00H 110.36(14) . . ?
C2 P3 C00H 111.57(14) . . ?
C2 P3 C00O 107.28(13) . . ?
C2 P3 C01O 113.44(14) . . ?
C01O P3 C00H 105.52(13) . . ?
C01O P3 C00O 108.67(14) . . ?
C00P P1 Os01 116.99(10) . . ?
C00P P1 C00U 102.32(13) . . ?
C00P P1 C012 103.42(14) . . ?
C00U P1 Os01 116.96(9) . . ?
C012 P1 Os01 114.51(10) . . ?
C012 P1 C00U 100.32(13) . . ?
C00K P2 Os01 113.75(10) . . ?
C00K P2 C00L 101.12(13) . . ?
C00K P2 C00M 101.82(13) . . ?
C00L P2 Os01 119.49(9) . . ?
C00L P2 C00M 102.43(13) . . ?
C00M P2 Os01 115.75(10) . . ?
H00A O00E H00B 104.6 . . ?
C3 C4 Os01 118.2(2) . . ?
C3 C4 C5 122.8(2) . . ?
C5 C4 Os01 118.88(19) . . ?
C2 C1 Os01 130.0(2) . . ?
C014 C00H P3 120.8(2) . . ?
C01E C00H P3 119.3(2) . . ?
C01E C00H C014 119.8(3) . . ?
C00O C00I H00I 120.3 . . ?
C00O C00I C011 119.5(3) . . ?
C011 C00I H00I 120.3 . . ?
C00M C00J H00J 120.0 . . ?
C00M C00J C01X 120.0(3) . . ?
C01X C00J H00J 120.0 . . ?
C018 C00K P2 120.5(2) . . ?
C01N C00K P2 120.0(2) . . ?
C01N C00K C018 119.1(3) . . ?
C00T C00L P2 121.4(2) . . ?
C00T C00L C00X 118.7(3) . . ?
C00X C00L P2 119.8(2) . . ?
C00J C00M P2 123.6(2) . . ?
C00J C00M C01J 118.8(3) . . ?
C01J C00M P2 117.6(2) . . ?
C5 C6 C10 133.2(3) . . ?
C7 C6 C10 111.1(2) . . ?
C7 C6 C5 115.4(3) . . ?
C00I C00O P3 118.8(2) . . ?
C00I C00O C026 120.6(3) . . ?
C026 C00O P3 120.5(2) . . ?
C00R C00P P1 118.6(2) . . ?
C015 C00P P1 122.5(2) . . ?
C015 C00P C00R 118.8(3) . . ?
C4 C3 H3 124.1 . . ?
C4 C3 C2 111.8(2) . . ?
C2 C3 H3 124.1 . . ?
C00P C00R H00R 119.7 . . ?
C01I C00R C00P 120.6(3) . . ?
C01I C00R H00R 119.7 . . ?
O1 C10 C6 129.1(3) . . ?
O1 C10 C9 123.9(3) . . ?
C6 C10 C9 107.0(2) . . ?
C00L C00T H00T 119.6 . . ?
C00L C00T C01H 120.7(3) . . ?
C01H C00T H00T 119.6 . . ?
C01A C00U P1 117.8(2) . . ?
C022 C00U P1 123.6(2) . . ?
C022 C00U C01A 118.5(3) . . ?
O2 C5 C4 124.3(3) . . ?
O2 C5 C6 126.1(3) . . ?
C6 C5 C4 109.6(2) . . ?
C6 C7 Os01 120.7(2) . . ?
C6 C7 C8 109.5(2) . . ?
C8 C7 Os01 129.8(2) . . ?
C00L C00X H00X 119.8 . . ?
C01T C00X C00L 120.4(3) . . ?
C01T C00X H00X 119.8 . . ?
C1 C2 P3 122.9(2) . . ?
C1 C2 C3 107.3(2) . . ?
C3 C2 P3 129.7(2) . . ?
C011 C00Z H00Z 120.0 . . ?
C011 C00Z C023 120.0(3) . . ?
C023 C00Z H00Z 120.0 . . ?
C012 C010 H010 120.0 . . ?
C01P C010 H010 120.0 . . ?
C01P C010 C012 120.0(3) . . ?
C00I C011 H011 119.9 . . ?
C00Z C011 C00I 120.3(3) . . ?
C00Z C011 H011 119.9 . . ?
C010 C012 P1 121.3(2) . . ?
C010 C012 C019 119.0(3) . . ?
C019 C012 P1 119.8(2) . . ?
C01K C013 H013 120.6 . . ?
C01O C013 H013 120.6 . . ?
C01O C013 C01K 118.8(3) . . ?
C00H C014 H014 120.2 . . ?
C01U C014 C00H 119.6(3) . . ?
C01U C014 H014 120.2 . . ?
C00P C015 H015 119.9 . . ?
C01V C015 C00P 120.2(3) . . ?
C01V C015 H015 119.9 . . ?
C019 C016 H016 119.9 . . ?
C01F C016 H016 119.9 . . ?
C01F C016 C019 120.2(3) . . ?
C01A C017 H017 119.7 . . ?
C01B C017 H017 119.7 . . ?
C01B C017 C01A 120.6(3) . . ?
C00K C018 H018 120.0 . . ?
C01Q C018 C00K 120.1(3) . . ?
C01Q C018 H018 120.0 . . ?
C012 C019 H019 119.8 . . ?
C016 C019 C012 120.5(3) . . ?
C016 C019 H019 119.8 . . ?
C00U C01A H01A 119.7 . . ?
C017 C01A C00U 120.5(3) . . ?
C017 C01A H01A 119.7 . . ?
C017 C01B H01B 120.4 . . ?
C017 C01B C020 119.2(3) . . ?
C020 C01B H01B 120.4 . . ?
C7 C8 H8A 110.8 . . ?
C7 C8 H8B 110.8 . . ?
C7 C8 C9 104.8(2) . . ?
H8A C8 H8B 108.9 . . ?
C9 C8 H8A 110.8 . . ?
C9 C8 H8B 110.8 . . ?
C01K C01D H01D 119.9 . . ?
C01S C01D H01D 119.9 . . ?
C01S C01D C01K 120.3(3) . . ?
C00H C01E H01E 120.2 . . ?
C01Z C01E C00H 119.5(3) . . ?
C01Z C01E H01E 120.2 . . ?
C016 C01F H01F 120.1 . . ?
C016 C01F C01P 119.8(3) . . ?
C01P C01F H01F 120.1 . . ?
C01H C01G H01G 120.2 . . ?
C01H C01G C01T 119.6(3) . . ?
C01T C01G H01G 120.2 . . ?
C00T C01H H01H 119.9 . . ?
C01G C01H C00T 120.2(3) . . ?
C01G C01H H01H 119.9 . . ?
C00R C01I H01I 120.0 . . ?
C01L C01I C00R 120.1(3) . . ?
C01L C01I H01I 120.0 . . ?
C00M C01J H01J 119.8 . . ?
C021 C01J C00M 120.5(3) . . ?
C021 C01J H01J 119.8 . . ?
C013 C01K H01K 119.7 . . ?
C01D C01K C013 120.6(3) . . ?
C01D C01K H01K 119.7 . . ?
C01I C01L H01L 120.1 . . ?
C01V C01L C01I 119.8(3) . . ?
C01V C01L H01L 120.1 . . ?
C10 C9 C8 105.4(2) . . ?
C10 C9 H9A 110.7 . . ?
C10 C9 H9B 110.7 . . ?
C8 C9 H9A 110.7 . . ?
C8 C9 H9B 110.7 . . ?
H9A C9 H9B 108.8 . . ?
C00K C01N H01N 119.8 . . ?
C01R C01N C00K 120.3(3) . . ?
C01R C01N H01N 119.8 . . ?
C013 C01O P3 119.2(2) . . ?
C013 C01O C024 120.2(3) . . ?
C024 C01O P3 120.0(2) . . ?
C010 C01P H01P 119.7 . . ?
C01F C01P C010 120.5(3) . . ?
C01F C01P H01P 119.7 . . ?
C018 C01Q H01Q 119.7 . . ?
C018 C01Q C01W 120.7(3) . . ?
C01W C01Q H01Q 119.7 . . ?
C01N C01R H01R 119.8 . . ?
C01W C01R C01N 120.4(3) . . ?
C01W C01R H01R 119.8 . . ?
C01D C01S H01S 119.9 . . ?
C01D C01S C024 120.1(3) . . ?
C024 C01S H01S 119.9 . . ?
C00X C01T C01G 120.3(3) . . ?
C00X C01T H01T 119.8 . . ?
C01G C01T H01T 119.8 . . ?
C014 C01U H01U 119.7 . . ?
C01Y C01U C014 120.6(3) . . ?
C01Y C01U H01U 119.7 . . ?
C015 C01V H01V 119.8 . . ?
C01L C01V C015 120.5(3) . . ?
C01L C01V H01V 119.8 . . ?
C01Q C01W H01W 120.3 . . ?
C01R C01W C01Q 119.4(3) . . ?
C01R C01W H01W 120.3 . . ?
C00J C01X H01X 119.6 . . ?
C025 C01X C00J 120.7(4) . . ?
C025 C01X H01X 119.6 . . ?
C01U C01Y H01Y 120.2 . . ?
C01U C01Y C01Z 119.6(3) . . ?
C01Z C01Y H01Y 120.2 . . ?
C01E C01Z H01Z 119.7 . . ?
C01Y C01Z C01E 120.7(3) . . ?
C01Y C01Z H01Z 119.7 . . ?
C01B C020 H020 119.7 . . ?
C01B C020 C022 120.6(3) . . ?
C022 C020 H020 119.7 . . ?
C01J C021 H021 119.7 . . ?
C025 C021 C01J 120.7(3) . . ?
C025 C021 H021 119.7 . . ?
C00U C022 C020 120.6(3) . . ?
C00U C022 H022 119.7 . . ?
C020 C022 H022 119.7 . . ?
C00Z C023 H023 119.8 . . ?
C00Z C023 C026 120.4(3) . . ?
C026 C023 H023 119.8 . . ?
C01O C024 H024 120.1 . . ?
C01S C024 C01O 119.8(3) . . ?
C01S C024 H024 120.1 . . ?
C01X C025 H025 120.3 . . ?
C021 C025 C01X 119.4(3) . . ?
C021 C025 H025 120.3 . . ?
C00O C026 C023 119.2(3) . . ?
C00O C026 H026 120.4 . . ?
C023 C026 H026 120.4 . . ?
Cl1 C027 Cl4 110.2(2) . . ?
Cl1 C027 H02A 109.6 . . ?
Cl1 C027 H02B 109.6 . . ?
Cl4 C027 H02A 109.6 . . ?
Cl4 C027 H02B 109.6 . . ?
H02A C027 H02B 108.1 . . ?
Cl2 C029 H02C 109.4 . . ?
Cl2 C029 H02D 109.4 . . ?
Cl3 C029 Cl2 111.1(4) . . ?
Cl3 C029 H02C 109.4 . . ?
Cl3 C029 H02D 109.4 . . ?
H02C C029 H02D 108.0 . . ?

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
Os01 P1 C00P C00R -58.6(3) . . . . ?
Os01 P1 C00P C015 125.7(2) . . . . ?
Os01 P1 C00U C01A -61.4(3) . . . . ?
Os01 P1 C00U C022 121.4(3) . . . . ?
Os01 P1 C012 C010 -20.2(3) . . . . ?
Os01 P1 C012 C019 159.7(2) . . . . ?
Os01 P2 C00K C018 -146.8(2) . . . . ?
Os01 P2 C00K C01N 40.5(3) . . . . ?
Os01 P2 C00L C00T -123.2(2) . . . . ?
Os01 P2 C00L C00X 60.4(3) . . . . ?
Os01 P2 C00M C00J -116.7(3) . . . . ?
Os01 P2 C00M C01J 66.1(3) . . . . ?
Os01 C4 C3 C2 0.5(3) . . . . ?
Os01 C4 C5 O2 179.1(2) . . . . ?
Os01 C4 C5 C6 -0.2(3) . . . . ?
Os01 C1 C2 P3 -178.43(16) . . . . ?
Os01 C1 C2 C3 0.8(4) . . . . ?
Os01 C7 C8 C9 161.3(2) . . . . ?
Cl00 Os01 C1 C2 -177.2(2) . . . . ?
P3 C00H C014 C01U -176.5(3) . . . . ?
P3 C00H C01E C01Z 176.0(3) . . . . ?
P3 C00O C026 C023 176.1(3) . . . . ?
P3 C01O C024 C01S -169.3(3) . . . . ?
P1 Os01 C1 C2 96.0(3) . . . . ?
P1 C00P C00R C01I -172.3(2) . . . . ?
P1 C00P C015 C01V 173.1(3) . . . . ?
P1 C00U C01A C017 -177.6(2) . . . . ?
P1 C00U C022 C020 177.2(3) . . . . ?
P1 C012 C019 C016 -179.3(3) . . . . ?
P2 Os01 C1 C2 -92.1(3) . . . . ?
P2 C00K C018 C01Q -173.5(3) . . . . ?
P2 C00K C01N C01R 172.7(2) . . . . ?
P2 C00L C00T C01H -176.0(2) . . . . ?
P2 C00L C00X C01T 175.4(2) . . . . ?
P2 C00M C01J C021 177.7(3) . . . . ?
O1 C10 C9 C8 174.1(3) . . . . ?
C4 Os01 C1 C2 -0.4(3) . . . . ?
C4 C3 C2 P3 178.4(2) . . . . ?
C4 C3 C2 C1 -0.7(3) . . . . ?
C00H P3 C00O C00I -163.0(2) . . . . ?
C00H P3 C00O C026 20.3(3) . . . . ?
C00H P3 C2 C1 -132.5(2) . . . . ?
C00H P3 C2 C3 48.4(3) . . . . ?
C00H P3 C01O C013 -94.1(3) . . . . ?
C00H P3 C01O C024 77.2(3) . . . . ?
C00H C014 C01U C01Y 0.2(6) . . . . ?
C00H C01E C01Z C01Y 0.8(5) . . . . ?
C00I C00O C026 C023 -0.6(5) . . . . ?
C00J C00M C01J C021 0.3(5) . . . . ?
C00J C01X C025 C021 0.3(6) . . . . ?
C00K P2 C00L C00T 2.4(3) . . . . ?
C00K P2 C00L C00X -174.0(2) . . . . ?
C00K P2 C00M C00J 119.5(3) . . . . ?
C00K P2 C00M C01J -57.7(3) . . . . ?
C00K C018 C01Q C01W 0.8(7) . . . . ?
C00K C01N C01R C01W 0.9(5) . . . . ?
C00L P2 C00K C018 83.8(3) . . . . ?
C00L P2 C00K C01N -88.9(3) . . . . ?
C00L P2 C00M C00J 15.1(3) . . . . ?
C00L P2 C00M C01J -162.1(2) . . . . ?
C00L C00T C01H C01G 0.1(5) . . . . ?
C00L C00X C01T C01G 1.1(4) . . . . ?
C00M P2 C00K C018 -21.5(3) . . . . ?
C00M P2 C00K C01N 165.7(2) . . . . ?
C00M P2 C00L C00T 107.3(2) . . . . ?
C00M P2 C00L C00X -69.1(2) . . . . ?
C00M C00J C01X C025 -0.3(6) . . . . ?
C00M C01J C021 C025 -0.3(5) . . . . ?
C6 C10 C9 C8 -8.7(3) . . . . ?
C6 C7 C8 C9 -14.9(3) . . . . ?
C00O P3 C00H C014 96.8(3) . . . . ?
C00O P3 C00H C01E -80.1(3) . . . . ?
C00O P3 C2 C1 -11.6(3) . . . . ?
C00O P3 C2 C3 169.4(3) . . . . ?
C00O P3 C01O C013 147.6(2) . . . . ?
C00O P3 C01O C024 -41.2(3) . . . . ?
C00O C00I C011 C00Z 0.6(5) . . . . ?
C00P P1 C00U C01A 169.3(2) . . . . ?
C00P P1 C00U C022 -7.8(3) . . . . ?
C00P P1 C012 C010 108.3(3) . . . . ?
C00P P1 C012 C019 -71.9(3) . . . . ?
C00P C00R C01I C01L -1.7(5) . . . . ?
C00P C015 C01V C01L -0.3(5) . . . . ?
C3 C4 C5 O2 3.2(4) . . . . ?
C3 C4 C5 C6 -176.2(3) . . . . ?
C00R C00P C015 C01V -2.6(5) . . . . ?
C00R C01I C01L C01V -1.3(5) . . . . ?
C10 C6 C5 O2 -10.8(5) . . . . ?
C10 C6 C5 C4 168.5(3) . . . . ?
C10 C6 C7 Os01 -166.78(19) . . . . ?
C10 C6 C7 C8 9.8(3) . . . . ?
C00T C00L C00X C01T -1.1(4) . . . . ?
C00U P1 C00P C00R 70.6(3) . . . . ?
C00U P1 C00P C015 -105.1(3) . . . . ?
C00U P1 C012 C010 -146.3(2) . . . . ?
C00U P1 C012 C019 33.6(3) . . . . ?
C5 C4 C3 C2 176.5(2) . . . . ?
C5 C6 C10 O1 3.2(6) . . . . ?
C5 C6 C10 C9 -173.7(3) . . . . ?
C5 C6 C7 Os01 7.7(3) . . . . ?
C5 C6 C7 C8 -175.7(2) . . . . ?
C7 Os01 C1 C2 -1.6(4) . . . . ?
C7 C6 C10 O1 176.5(3) . . . . ?
C7 C6 C10 C9 -0.5(3) . . . . ?
C7 C6 C5 O2 176.2(3) . . . . ?
C7 C6 C5 C4 -4.5(3) . . . . ?
C7 C8 C9 C10 13.9(3) . . . . ?
C00X C00L C00T C01H 0.4(4) . . . . ?
C2 P3 C00H C014 -144.0(3) . . . . ?
C2 P3 C00H C01E 39.1(3) . . . . ?
C2 P3 C00O C00I 75.3(3) . . . . ?
C2 P3 C00O C026 -101.5(3) . . . . ?
C2 P3 C01O C013 28.3(3) . . . . ?
C2 P3 C01O C024 -160.4(2) . . . . ?
C00Z C023 C026 C00O 1.2(5) . . . . ?
C010 C012 C019 C016 0.6(5) . . . . ?
C011 C00I C00O P3 -177.0(3) . . . . ?
C011 C00I C00O C026 -0.3(5) . . . . ?
C011 C00Z C023 C026 -0.9(5) . . . . ?
C012 P1 C00P C00R 174.5(2) . . . . ?
C012 P1 C00P C015 -1.2(3) . . . . ?
C012 P1 C00U C01A 63.0(3) . . . . ?
C012 P1 C00U C022 -114.1(3) . . . . ?
C012 C010 C01P C01F 0.2(5) . . . . ?
C013 C01O C024 C01S 1.8(5) . . . . ?
C014 C00H C01E C01Z -0.9(5) . . . . ?
C014 C01U C01Y C01Z -0.4(6) . . . . ?
C015 C00P C00R C01I 3.6(5) . . . . ?
C016 C01F C01P C010 0.7(5) . . . . ?
C017 C01B C020 C022 0.0(6) . . . . ?
C018 C00K C01N C01R -0.2(5) . . . . ?
C018 C01Q C01W C01R 0.0(7) . . . . ?
C019 C016 C01F C01P -1.0(5) . . . . ?
C01A C00U C022 C020 0.1(5) . . . . ?
C01A C017 C01B C020 -0.2(5) . . . . ?
C01B C017 C01A C00U 0.4(5) . . . . ?
C01B C020 C022 C00U 0.1(6) . . . . ?
C01D C01S C024 C01O 0.5(5) . . . . ?
C01E C00H C014 C01U 0.4(5) . . . . ?
C01F C016 C019 C012 0.3(5) . . . . ?
C01H C01G C01T C00X -0.5(4) . . . . ?
C01I C01L C01V C015 2.2(5) . . . . ?
C01J C021 C025 C01X -0.1(6) . . . . ?
C01K C013 C01O P3 169.0(2) . . . . ?
C01K C013 C01O C024 -2.2(5) . . . . ?
C01K C01D C01S C024 -2.4(5) . . . . ?
C01N C00K C018 C01Q -0.7(5) . . . . ?
C01N C01R C01W C01Q -0.8(6) . . . . ?
C01O P3 C00H C014 -20.4(3) . . . . ?
C01O P3 C00H C01E 162.7(2) . . . . ?
C01O P3 C00O C00I -47.7(3) . . . . ?
C01O P3 C00O C026 135.5(3) . . . . ?
C01O P3 C2 C1 108.5(3) . . . . ?
C01O P3 C2 C3 -70.6(3) . . . . ?
C01O C013 C01K C01D 0.3(5) . . . . ?
C01P C010 C012 P1 179.0(2) . . . . ?
C01P C010 C012 C019 -0.9(5) . . . . ?
C01S C01D C01K C013 2.0(5) . . . . ?
C01T C01G C01H C00T -0.1(5) . . . . ?
C01U C01Y C01Z C01E -0.2(6) . . . . ?
C01X C00J C00M P2 -177.2(3) . . . . ?
C01X C00J C00M C01J -0.1(5) . . . . ?
C022 C00U C01A C017 -0.3(5) . . . . ?
C023 C00Z C011 C00I 0.0(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 0.148 0.214 0.321 134.9 43.3 ?
2 -0.148 0.786 0.679 134.9 43.3 ?
3 0.352 0.714 0.179 134.9 43.1 ?
4 0.648 0.286 0.821 134.9 43.6 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.225
_oxdiff_exptl_absorpt_empirical_full_min 0.673
_chemical_properties_physical    Heat-sensitive
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2054261'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-06 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H51 Cl O Os P3, F6 P'
_chemical_formula_sum            'C64 H51 Cl F6 O Os P4'
_chemical_formula_weight         1299.57
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Os P C H '
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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.1516(3)
_cell_length_b                   17.1534(3)
_cell_length_c                   23.7077(4)
_cell_angle_alpha                90.1
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5348.31(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25763
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      75.8190
_cell_measurement_theta_min      3.1320
_shelx_estimated_absorpt_T_max   0.556
_shelx_estimated_absorpt_T_min   0.556
_exptl_absorpt_coefficient_mu    6.644
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.1
_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  0.0583
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            68618
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.162
_diffrn_reflns_theta_min         3.180
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  10.00   0.50    0.50    --  -46.87  35.00 -12.00   58
  2  ω    -57.00 -26.00   0.50    0.50    --  -46.87  35.00 -12.00   62
  3  ω    -63.00  26.00   0.50    0.50    --  -46.87  57.00  60.00  178
  4  ω     33.00  95.00   0.50    0.50    --   46.87  35.00 -12.00  124
  5  ω     93.00 173.00   0.50    1.50    --  106.36  35.00 -12.00  160
  6  ω    153.00 178.00   0.50    1.50    --  106.36  37.00 120.00   50
  7  ω     96.00 126.00   0.50    1.50    --  106.36  37.00 120.00   60
  8  ω     93.00 175.00   0.50    1.50    --  106.36  37.00 -60.00  164
  9  ω    136.00 175.00   0.50    1.50    --  106.36  57.00-180.00   78
 10  ω     95.00 122.00   0.50    1.50    --  106.36  57.00-180.00   54
 11  ω     91.00 178.00   0.50    1.50    --  106.36  57.00-150.00  174
 12  ω     70.00 110.00   0.50    1.50    --  106.36 -99.00  30.00   80
 13  ω     60.00 117.00   0.50    1.50    --  106.36-125.00  60.00  114
 14  ω     36.00  88.00   0.50    1.50    --  106.36-125.00  90.00  104
 15  ω     34.00 129.00   0.50    1.50    --  106.36 -77.00 150.00  190
 16  ω     37.00 109.00   0.50    1.50    --  106.36 -99.00 150.00  144
 17  ω     36.00  92.00   0.50    1.50    --  106.36 -99.00 120.00  112
 18  ω     34.00  60.00   0.50    1.50    --  106.36 -99.00  30.00   52
 19  ω     35.00  83.00   0.50    1.50    --  106.36 -57.00 -60.00   96
 20  ω     39.00 109.00   0.50    1.50    --  106.36 -99.00-120.00  140
 21  ω     42.00 114.00   0.50    1.50    --  106.36 -35.00-169.00  144
 22  ω     35.00 110.00   0.50    1.50    --  106.36 -99.00 -90.00  150
 23  ω    -21.00   4.00   0.50    0.50    --   46.87 -35.00-169.00   50
 24  ω    -69.00  26.00   0.50    0.50    --  -46.87  77.00 -60.00  190
 25  ω    -69.00   4.00   0.50    0.50    --  -46.87  77.00-180.00  146
 26  ω    -70.00 -45.00   0.50    1.50    --  -88.50  35.00 -12.00   50
 27  ω   -100.00 -37.00   0.50    1.50    --  -88.50  57.00  60.00  126
 28  ω    -68.00 -26.00   0.50    1.50    --  -88.50 125.00  30.00   84
 29  ω    -76.00 -17.00   0.50    1.50    --  -88.50 125.00  60.00  118
 30  ω   -119.00 -32.00   0.50    0.50    --  -46.87 -35.00-169.00  174
 31  ω   -102.00 -76.00   0.50    1.50    --  -88.50-125.00-180.00   52
 32  ω   -143.00-118.00   0.50    1.50    --  -88.50-125.00-180.00   50
 33  ω   -158.00 -77.00   0.50    1.50    --  -88.50 -35.00-169.00  162
 34  ω   -118.00 -78.00   0.50    0.50    --  -46.87-125.00 120.00   80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1163737000
_diffrn_orient_matrix_UB_12      0.0105469000
_diffrn_orient_matrix_UB_13      0.0003809000
_diffrn_orient_matrix_UB_21      -0.0119021000
_diffrn_orient_matrix_UB_22      -0.0799456000
_diffrn_orient_matrix_UB_23      0.0287958000
_diffrn_orient_matrix_UB_31      0.0067734000
_diffrn_orient_matrix_UB_32      0.0395816000
_diffrn_orient_matrix_UB_33      0.0582139000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9615
_reflns_number_total             10957
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_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       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.729
_refine_diff_density_min         -1.666
_refine_diff_density_rms         0.129
_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     694
_refine_ls_number_reflns         10957
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0361
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0605P)²+6.6377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0986
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
2.b Aromatic/amide H refined with riding coordinates:
 C00G(H00G), C00L(H00L), C00M(H00M), C00P(H00P), C00R(H00R), C00U(H00U),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C01A(H01A), C01B(H01B), C01D(H01D),
 C01E(H01E), C01F(H01F), C01G(H01G), C01I(H01I), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q),
 C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W),
 C01X(H01X), C01Y(H01Y), C01Z(H01Z), C3(H3), C5(H5), C011(H011), C012(H012),
 C013(H013), C015(H015), C016(H016), C018(H018), C019(H019), C020(H020),
 C021(H021), C023(H023), C024(H024), C025(H025)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.50653(2) 0.48825(2) 0.25384(2) 0.02022(6) Uani 1 1 d . . . . .
Cl1 Cl 0.57233(6) 0.62090(4) 0.26088(3) 0.02727(16) Uani 1 1 d . . . . .
P1 P 0.50319(7) 0.50099(5) 0.15296(3) 0.02148(16) Uani 1 1 d . . . . .
P2 P 0.51018(6) 0.49186(4) 0.35542(3) 0.02031(16) Uani 1 1 d . . . . .
P3 P 0.17449(6) 0.40382(5) 0.25337(3) 0.02438(17) Uani 1 1 d . . . . .
O1 O 0.7949(2) 0.26586(15) 0.23708(13) 0.0403(6) Uani 1 1 d . . . . .
C00G C 0.4600(3) 0.59446(19) 0.44264(14) 0.0265(7) Uani 1 1 d . . . . .
H00G H 0.509609 0.568298 0.463191 0.032 Uiso 1 1 calc R U . . .
C00J C 0.4505(3) 0.40931(18) 0.39156(13) 0.0230(6) Uani 1 1 d . . . . .
C00K C 0.4405(3) 0.41887(18) 0.11853(13) 0.0240(6) Uani 1 1 d . . . . .
C00L C 0.3127(3) 0.6736(2) 0.38146(16) 0.0307(7) Uani 1 1 d . . . . .
H00L H 0.263857 0.700704 0.360933 0.037 Uiso 1 1 calc R U . . .
C00M C 0.3701(3) 0.61602(19) 0.35549(14) 0.0258(7) Uani 1 1 d . . . . .
H00M H 0.359423 0.604443 0.317623 0.031 Uiso 1 1 calc R U . . .
C00N C 0.4438(2) 0.57544(17) 0.38597(14) 0.0231(6) Uani 1 1 d . . . . .
C00P C 0.4770(3) 0.33334(19) 0.37609(14) 0.0274(7) Uani 1 1 d . . . . .
H00P H 0.527935 0.325525 0.349476 0.033 Uiso 1 1 calc R U . . .
C00Q C 0.4311(3) 0.58512(18) 0.12686(14) 0.0257(7) Uani 1 1 d . . . . .
C00R C 0.3416(3) 0.42651(19) 0.09772(14) 0.0271(7) Uani 1 1 d . . . . .
H00R H 0.310766 0.475296 0.096857 0.033 Uiso 1 1 calc R U . . .
C00T C 0.1370(3) 0.4645(2) 0.31137(15) 0.0287(7) Uani 1 1 d . . . . .
C00U C 0.4326(3) 0.2806(2) 0.10012(15) 0.0325(8) Uani 1 1 d . . . . .
H00U H 0.463229 0.231713 0.100715 0.039 Uiso 1 1 calc R U . . .
C00V C 0.6240(3) 0.51438(19) 0.11546(14) 0.0260(7) Uani 1 1 d . . . . .
C00W C 0.1232(3) 0.4424(2) 0.18895(14) 0.0290(7) Uani 1 1 d . . . . .
C00X C 0.4025(3) 0.6520(2) 0.46826(15) 0.0301(7) Uani 1 1 d . . . . .
H00X H 0.413864 0.664706 0.505866 0.036 Uiso 1 1 calc R U . . .
C00Y C 0.3732(3) 0.63187(19) 0.16286(15) 0.0287(7) Uani 1 1 d . . . . .
H00Y H 0.374546 0.623015 0.201553 0.034 Uiso 1 1 calc R U . . .
C00Z C 0.4288(3) 0.26979(19) 0.39966(15) 0.0320(8) Uani 1 1 d . . . . .
H00Z H 0.446242 0.219742 0.388092 0.038 Uiso 1 1 calc R U . . .
C1 C 0.3666(2) 0.47322(18) 0.25395(13) 0.0211(6) Uani 1 1 d . . . . .
C01A C 0.0688(3) 0.2836(2) 0.30669(16) 0.0324(7) Uani 1 1 d . . . . .
H01A H 0.043707 0.321057 0.331403 0.039 Uiso 1 1 calc R U . . .
C01B C 0.3133(3) 0.6917(2) 0.14101(16) 0.0333(8) Uani 1 1 d . . . . .
H01B H 0.273769 0.722139 0.164981 0.040 Uiso 1 1 calc R U . . .
C01C C 0.1321(3) 0.3052(2) 0.26230(14) 0.0274(7) Uani 1 1 d . . . . .
C01D C 0.6886(3) 0.5691(2) 0.38861(14) 0.0293(7) Uani 1 1 d . . . . .
H01D H 0.655610 0.614395 0.377249 0.035 Uiso 1 1 calc R U . . .
C01E C 0.1559(3) 0.5159(2) 0.17025(16) 0.0336(8) Uani 1 1 d . . . . .
H01E H 0.202737 0.544325 0.191247 0.040 Uiso 1 1 calc R U . . .
C01F C 0.3128(3) 0.7059(2) 0.08316(16) 0.0328(8) Uani 1 1 d . . . . .
H01F H 0.272350 0.745431 0.068420 0.039 Uiso 1 1 calc R U . . .
C01G C 0.3725(3) 0.6612(2) 0.04762(16) 0.0356(8) Uani 1 1 d . . . . .
H01G H 0.373134 0.671457 0.009108 0.043 Uiso 1 1 calc R U . . .
C01I C 0.1605(3) 0.4400(2) 0.36586(15) 0.0346(8) Uani 1 1 d . . . . .
H01I H 0.191084 0.391754 0.371637 0.042 Uiso 1 1 calc R U . . .
C01J C 0.3289(3) 0.3544(2) 0.45720(15) 0.0310(7) Uani 1 1 d . . . . .
H01J H 0.279820 0.361353 0.485002 0.037 Uiso 1 1 calc R U . . .
C01K C 0.7875(3) 0.5731(2) 0.40889(15) 0.0334(8) Uani 1 1 d . . . . .
H01K H 0.820015 0.621172 0.411455 0.040 Uiso 1 1 calc R U . . .
C01L C 0.8379(3) 0.5063(3) 0.42527(18) 0.0390(9) Uani 1 1 d . . . . .
H01L H 0.904061 0.509292 0.438958 0.047 Uiso 1 1 calc R U . . .
C01M C 0.4315(3) 0.60096(19) 0.06930(14) 0.0303(7) Uani 1 1 d . . . . .
H01M H 0.471389 0.571092 0.045192 0.036 Uiso 1 1 calc R U . . .
C01N C 0.0530(3) 0.4003(2) 0.15683(16) 0.0345(8) Uani 1 1 d . . . . .
H01N H 0.030966 0.351636 0.169121 0.041 Uiso 1 1 calc R U . . .
C01O C 0.0815(3) 0.1503(2) 0.27773(17) 0.0378(8) Uani 1 1 d . . . . .
H01O H 0.066562 0.097979 0.283796 0.045 Uiso 1 1 calc R U . . .
C01P C 0.6901(3) 0.4302(2) 0.40140(16) 0.0334(8) Uani 1 1 d . . . . .
H01P H 0.658050 0.381974 0.398977 0.040 Uiso 1 1 calc R U . . .
C01Q C 0.1669(3) 0.2493(2) 0.22402(16) 0.0308(7) Uani 1 1 d . . . . .
H01Q H 0.206501 0.263978 0.193288 0.037 Uiso 1 1 calc R U . . .
C01R C 0.0160(3) 0.4308(3) 0.10672(17) 0.0418(9) Uani 1 1 d . . . . .
H01R H -0.030148 0.402597 0.085149 0.050 Uiso 1 1 calc R U . . .
C01S C 0.7683(3) 0.5978(2) 0.09820(16) 0.0368(8) Uani 1 1 d . . . . .
H01S H 0.806417 0.641796 0.107183 0.044 Uiso 1 1 calc R U . . .
C01T C 0.0956(3) 0.5603(2) 0.40312(17) 0.0383(9) Uani 1 1 d . . . . .
H01T H 0.082168 0.592466 0.433791 0.046 Uiso 1 1 calc R U . . .
C01U C 0.1176(3) 0.5459(2) 0.12009(17) 0.0393(9) Uani 1 1 d . . . . .
H01U H 0.138670 0.594620 0.107424 0.047 Uiso 1 1 calc R U . . .
C01V C 0.0436(3) 0.2056(2) 0.31369(17) 0.0384(8) Uani 1 1 d . . . . .
H01V H 0.000771 0.190779 0.342992 0.046 Uiso 1 1 calc R U . . .
C01W C 0.7967(3) 0.5510(3) 0.05335(16) 0.0408(9) Uani 1 1 d . . . . .
H01W H 0.853995 0.563586 0.032227 0.049 Uiso 1 1 calc R U . . .
C01X C 0.1418(3) 0.1716(2) 0.23243(17) 0.0363(8) Uani 1 1 d . . . . .
H01X H 0.165455 0.133780 0.207588 0.044 Uiso 1 1 calc R U . . .
C01Y C 0.0481(3) 0.5034(3) 0.08909(18) 0.0432(10) Uani 1 1 d . . . . .
H01Y H 0.022588 0.523998 0.055696 0.052 Uiso 1 1 calc R U . . .
C01Z C 0.7896(3) 0.4346(3) 0.42126(18) 0.0417(9) Uani 1 1 d . . . . .
H01Z H 0.823738 0.389430 0.431848 0.050 Uiso 1 1 calc R U . . .
C2 C 0.3101(3) 0.40434(19) 0.25095(13) 0.0239(6) Uani 1 1 d . . . . .
C3 C 0.3784(3) 0.34209(18) 0.24760(14) 0.0249(7) Uani 1 1 d . . . . .
H3 H 0.359049 0.290051 0.245320 0.030 Uiso 1 1 calc R U . . .
C4 C 0.4794(3) 0.36752(18) 0.24809(12) 0.0227(6) Uani 1 1 d . . . . .
C5 C 0.5628(3) 0.31739(18) 0.24383(14) 0.0256(7) Uani 1 1 d . . . . .
H5 H 0.557387 0.263551 0.240311 0.031 Uiso 1 1 calc R U . . .
C6 C 0.6562(3) 0.3578(2) 0.24547(14) 0.0270(7) Uani 1 1 d . . . . .
C7 C 0.6477(2) 0.43852(19) 0.25094(13) 0.0242(6) Uani 1 1 d . . . . .
C8 C 0.7530(3) 0.4738(2) 0.25362(15) 0.0307(7) Uani 1 1 d . . . . .
H8A H 0.763479 0.499794 0.289476 0.037 Uiso 1 1 calc R U . . .
H8B H 0.762366 0.511344 0.223498 0.037 Uiso 1 1 calc R U . . .
C9 C 0.8272(3) 0.4053(2) 0.2470(2) 0.0407(9) Uani 1 1 d . . . . .
H9A H 0.868208 0.411802 0.213301 0.049 Uiso 1 1 calc R U . . .
H9B H 0.871985 0.401933 0.279360 0.049 Uiso 1 1 calc R U . . .
C10 C 0.7623(3) 0.3324(2) 0.24240(15) 0.0324(8) Uani 1 1 d . . . . .
C011 C 0.4860(3) 0.34542(19) 0.11899(14) 0.0275(7) Uani 1 1 d . . . . .
H011 H 0.552331 0.339822 0.131961 0.033 Uiso 1 1 calc R U . . .
C012 C 0.3758(3) 0.41897(19) 0.43283(14) 0.0273(7) Uani 1 1 d . . . . .
H012 H 0.357249 0.468896 0.444142 0.033 Uiso 1 1 calc R U . . .
C013 C 0.2889(3) 0.3613(2) 0.07825(15) 0.0310(7) Uani 1 1 d . . . . .
H013 H 0.223550 0.366753 0.063784 0.037 Uiso 1 1 calc R U . . .
C014 C 0.6382(3) 0.49729(19) 0.38513(14) 0.0248(7) Uani 1 1 d . . . . .
C015 C 0.3341(3) 0.2882(2) 0.08048(15) 0.0322(8) Uani 1 1 d . . . . .
H015 H 0.298089 0.244435 0.068772 0.039 Uiso 1 1 calc R U . . .
C016 C 0.3279(3) 0.6908(2) 0.43785(16) 0.0316(7) Uani 1 1 d . . . . .
H016 H 0.288041 0.728373 0.455423 0.038 Uiso 1 1 calc R U . . .
C018 C 0.6831(3) 0.5791(2) 0.12965(15) 0.0310(7) Uani 1 1 d . . . . .
H018 H 0.665154 0.609795 0.160409 0.037 Uiso 1 1 calc R U . . .
C019 C 0.3553(3) 0.2799(2) 0.44007(15) 0.0325(8) Uani 1 1 d . . . . .
H019 H 0.323187 0.236854 0.455912 0.039 Uiso 1 1 calc R U . . .
C020 C 0.1381(3) 0.4877(2) 0.41157(17) 0.0371(9) Uani 1 1 d . . . . .
H020 H 0.151754 0.470633 0.448012 0.045 Uiso 1 1 calc R U . . .
C021 C 0.6535(3) 0.4677(3) 0.07083(16) 0.0377(8) Uani 1 1 d . . . . .
H021 H 0.615259 0.424009 0.061350 0.045 Uiso 1 1 calc R U . . .
C023 C 0.7408(3) 0.4862(3) 0.03991(19) 0.0450(10) Uani 1 1 d . . . . .
H023 H 0.761035 0.454466 0.010156 0.054 Uiso 1 1 calc R U . . .
C024 C 0.0927(3) 0.5372(2) 0.30321(17) 0.0376(8) Uani 1 1 d . . . . .
H024 H 0.076134 0.553664 0.266979 0.045 Uiso 1 1 calc R U . . .
C025 C 0.0730(3) 0.5852(2) 0.34910(18) 0.0416(9) Uani 1 1 d . . . . .
H025 H 0.044597 0.634238 0.343481 0.050 Uiso 1 1 calc R U . . .
P006 P 0.00928(8) 0.25703(5) 0.48818(5) 0.0351(2) Uani 1 1 d . . . . .
F00A F -0.0006(3) 0.16514(15) 0.48383(15) 0.0674(8) Uani 1 1 d . . . . .
F00B F -0.0613(3) 0.2649(2) 0.43316(15) 0.0734(10) Uani 1 1 d . . . . .
F00C F -0.0878(3) 0.25988(19) 0.52691(17) 0.0782(11) Uani 1 1 d . . . . .
F00E F 0.0786(4) 0.2497(2) 0.54186(17) 0.0888(13) Uani 1 1 d . . . . .
F008 F 0.0191(3) 0.34947(15) 0.49162(13) 0.0652(8) Uani 1 1 d . . . . .
F009 F 0.1047(2) 0.25571(19) 0.44723(16) 0.0699(9) 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 2.4403(7) . ?
Os1 P1 2.4019(8) . ?
Os1 P2 2.4094(8) . ?
Os1 C1 1.858(3) . ?
Os1 C4 2.106(3) . ?
Os1 C7 2.045(3) . ?
P1 C00K 1.825(3) . ?
P1 C00Q 1.834(3) . ?
P1 C00V 1.835(4) . ?
P2 C00J 1.832(3) . ?
P2 C00N 1.828(3) . ?
P2 C014 1.828(4) . ?
P3 C00T 1.794(3) . ?
P3 C00W 1.796(3) . ?
P3 C01C 1.793(4) . ?
P3 C2 1.785(3) . ?
O1 C10 1.225(4) . ?
C00G H00G 0.9300 . ?
C00G C00N 1.399(5) . ?
C00G C00X 1.384(5) . ?
C00J C00P 1.398(4) . ?
C00J C012 1.396(5) . ?
C00K C00R 1.398(5) . ?
C00K C011 1.395(5) . ?
C00L H00L 0.9300 . ?
C00L C00M 1.387(5) . ?
C00L C016 1.384(5) . ?
C00M H00M 0.9300 . ?
C00M C00N 1.395(5) . ?
C00P H00P 0.9300 . ?
C00P C00Z 1.379(5) . ?
C00Q C00Y 1.397(5) . ?
C00Q C01M 1.391(5) . ?
C00R H00R 0.9300 . ?
C00R C013 1.395(5) . ?
C00T C01I 1.393(5) . ?
C00T C024 1.390(5) . ?
C00U H00U 0.9300 . ?
C00U C011 1.390(5) . ?
C00U C015 1.383(6) . ?
C00V C018 1.397(5) . ?
C00V C021 1.382(5) . ?
C00W C01E 1.405(5) . ?
C00W C01N 1.398(5) . ?
C00X H00X 0.9300 . ?
C00X C016 1.387(5) . ?
C00Y H00Y 0.9300 . ?
C00Y C01B 1.394(5) . ?
C00Z H00Z 0.9300 . ?
C00Z C019 1.372(6) . ?
C1 C2 1.398(4) . ?
C01A H01A 0.9300 . ?
C01A C01C 1.392(5) . ?
C01A C01V 1.389(5) . ?
C01B H01B 0.9300 . ?
C01B C01F 1.393(5) . ?
C01C C01Q 1.398(5) . ?
C01D H01D 0.9300 . ?
C01D C01K 1.388(5) . ?
C01D C014 1.401(5) . ?
C01E H01E 0.9300 . ?
C01E C01U 1.390(5) . ?
C01F H01F 0.9300 . ?
C01F C01G 1.383(6) . ?
C01G H01G 0.9300 . ?
C01G C01M 1.391(5) . ?
C01I H01I 0.9300 . ?
C01I C020 1.390(5) . ?
C01J H01J 0.9300 . ?
C01J C012 1.393(5) . ?
C01J C019 1.385(5) . ?
C01K H01K 0.9300 . ?
C01K C01L 1.380(6) . ?
C01L H01L 0.9300 . ?
C01L C01Z 1.387(6) . ?
C01M H01M 0.9300 . ?
C01N H01N 0.9300 . ?
C01N C01R 1.386(5) . ?
C01O H01O 0.9300 . ?
C01O C01V 1.369(6) . ?
C01O C01X 1.384(6) . ?
C01P H01P 0.9300 . ?
C01P C01Z 1.393(5) . ?
C01P C014 1.393(5) . ?
C01Q H01Q 0.9300 . ?
C01Q C01X 1.388(5) . ?
C01R H01R 0.9300 . ?
C01R C01Y 1.379(6) . ?
C01S H01S 0.9300 . ?
C01S C01W 1.384(6) . ?
C01S C018 1.383(5) . ?
C01T H01T 0.9300 . ?
C01T C020 1.379(6) . ?
C01T C025 1.383(6) . ?
C01U H01U 0.9300 . ?
C01U C01Y 1.381(6) . ?
C01V H01V 0.9300 . ?
C01W H01W 0.9300 . ?
C01W C023 1.370(6) . ?
C01X H01X 0.9300 . ?
C01Y H01Y 0.9300 . ?
C01Z H01Z 0.9300 . ?
C2 C3 1.398(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.398(5) . ?
C4 C5 1.397(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.410(5) . ?
C6 C7 1.396(5) . ?
C6 C10 1.464(5) . ?
C7 C8 1.511(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.536(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.517(5) . ?
C011 H011 0.9300 . ?
C012 H012 0.9300 . ?
C013 H013 0.9300 . ?
C013 C015 1.388(5) . ?
C015 H015 0.9300 . ?
C016 H016 0.9300 . ?
C018 H018 0.9300 . ?
C019 H019 0.9300 . ?
C020 H020 0.9300 . ?
C021 H021 0.9300 . ?
C021 C023 1.400(6) . ?
C023 H023 0.9300 . ?
C024 H024 0.9300 . ?
C024 C025 1.389(5) . ?
C025 H025 0.9300 . ?
P006 F00A 1.585(3) . ?
P006 F00B 1.607(3) . ?
P006 F00C 1.573(3) . ?
P006 F00E 1.571(3) . ?
P006 F008 1.593(3) . ?
P006 F009 1.587(3) . ?

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 89.41(3) . . ?
P1 Os1 P2 173.30(3) . . ?
P2 Os1 Cl1 84.30(3) . . ?
C1 Os1 Cl1 118.71(10) . . ?
C1 Os1 P1 89.77(10) . . ?
C1 Os1 P2 91.25(10) . . ?
C1 Os1 C4 72.31(13) . . ?
C1 Os1 C7 147.31(13) . . ?
C4 Os1 Cl1 168.97(10) . . ?
C4 Os1 P1 91.26(8) . . ?
C4 Os1 P2 95.36(8) . . ?
C7 Os1 Cl1 93.97(9) . . ?
C7 Os1 P1 91.21(9) . . ?
C7 Os1 P2 91.50(9) . . ?
C7 Os1 C4 75.01(13) . . ?
C00K P1 Os1 112.55(11) . . ?
C00K P1 C00Q 102.88(15) . . ?
C00K P1 C00V 105.72(15) . . ?
C00Q P1 Os1 114.64(11) . . ?
C00Q P1 C00V 100.70(15) . . ?
C00V P1 Os1 118.55(11) . . ?
C00J P2 Os1 116.05(10) . . ?
C00N P2 Os1 113.99(11) . . ?
C00N P2 C00J 102.49(15) . . ?
C014 P2 Os1 113.88(11) . . ?
C014 P2 C00J 104.70(15) . . ?
C014 P2 C00N 104.33(15) . . ?
C00T P3 C00W 109.59(17) . . ?
C01C P3 C00T 111.79(17) . . ?
C01C P3 C00W 109.33(16) . . ?
C2 P3 C00T 107.24(16) . . ?
C2 P3 C00W 110.25(16) . . ?
C2 P3 C01C 108.62(16) . . ?
C00N C00G H00G 119.8 . . ?
C00X C00G H00G 119.8 . . ?
C00X C00G C00N 120.3(3) . . ?
C00P C00J P2 119.4(3) . . ?
C012 C00J P2 122.5(2) . . ?
C012 C00J C00P 118.0(3) . . ?
C00R C00K P1 120.4(2) . . ?
C011 C00K P1 120.0(3) . . ?
C011 C00K C00R 119.1(3) . . ?
C00M C00L H00L 120.0 . . ?
C016 C00L H00L 120.0 . . ?
C016 C00L C00M 120.1(3) . . ?
C00L C00M H00M 119.9 . . ?
C00L C00M C00N 120.2(3) . . ?
C00N C00M H00M 119.9 . . ?
C00G C00N P2 119.4(2) . . ?
C00M C00N P2 121.2(2) . . ?
C00M C00N C00G 119.1(3) . . ?
C00J C00P H00P 119.5 . . ?
C00Z C00P C00J 121.1(3) . . ?
C00Z C00P H00P 119.5 . . ?
C00Y C00Q P1 121.8(3) . . ?
C01M C00Q P1 118.9(3) . . ?
C01M C00Q C00Y 119.3(3) . . ?
C00K C00R H00R 119.9 . . ?
C013 C00R C00K 120.3(3) . . ?
C013 C00R H00R 119.9 . . ?
C01I C00T P3 118.4(3) . . ?
C024 C00T P3 121.9(3) . . ?
C024 C00T C01I 119.5(3) . . ?
C011 C00U H00U 119.8 . . ?
C015 C00U H00U 119.8 . . ?
C015 C00U C011 120.4(3) . . ?
C018 C00V P1 117.7(3) . . ?
C021 C00V P1 122.8(3) . . ?
C021 C00V C018 119.2(3) . . ?
C01E C00W P3 119.0(3) . . ?
C01N C00W P3 121.4(3) . . ?
C01N C00W C01E 119.6(3) . . ?
C00G C00X H00X 120.0 . . ?
C00G C00X C016 120.0(3) . . ?
C016 C00X H00X 120.0 . . ?
C00Q C00Y H00Y 119.9 . . ?
C01B C00Y C00Q 120.3(3) . . ?
C01B C00Y H00Y 119.9 . . ?
C00P C00Z H00Z 119.8 . . ?
C019 C00Z C00P 120.4(3) . . ?
C019 C00Z H00Z 119.8 . . ?
C2 C1 Os1 130.1(3) . . ?
C01C C01A H01A 120.3 . . ?
C01V C01A H01A 120.3 . . ?
C01V C01A C01C 119.3(4) . . ?
C00Y C01B H01B 120.1 . . ?
C01F C01B C00Y 119.8(3) . . ?
C01F C01B H01B 120.1 . . ?
C01A C01C P3 121.7(3) . . ?
C01A C01C C01Q 120.3(3) . . ?
C01Q C01C P3 117.9(3) . . ?
C01K C01D H01D 119.8 . . ?
C01K C01D C014 120.5(3) . . ?
C014 C01D H01D 119.8 . . ?
C00W C01E H01E 120.3 . . ?
C01U C01E C00W 119.4(4) . . ?
C01U C01E H01E 120.3 . . ?
C01B C01F H01F 120.0 . . ?
C01G C01F C01B 120.0(3) . . ?
C01G C01F H01F 120.0 . . ?
C01F C01G H01G 119.9 . . ?
C01F C01G C01M 120.2(3) . . ?
C01M C01G H01G 119.9 . . ?
C00T C01I H01I 120.1 . . ?
C020 C01I C00T 119.9(4) . . ?
C020 C01I H01I 120.1 . . ?
C012 C01J H01J 120.0 . . ?
C019 C01J H01J 120.0 . . ?
C019 C01J C012 120.0(3) . . ?
C01D C01K H01K 119.8 . . ?
C01L C01K C01D 120.4(4) . . ?
C01L C01K H01K 119.8 . . ?
C01K C01L H01L 120.1 . . ?
C01K C01L C01Z 119.8(4) . . ?
C01Z C01L H01L 120.1 . . ?
C00Q C01M H01M 119.8 . . ?
C01G C01M C00Q 120.4(3) . . ?
C01G C01M H01M 119.8 . . ?
C00W C01N H01N 119.9 . . ?
C01R C01N C00W 120.2(4) . . ?
C01R C01N H01N 119.9 . . ?
C01V C01O H01O 119.7 . . ?
C01V C01O C01X 120.6(4) . . ?
C01X C01O H01O 119.7 . . ?
C01Z C01P H01P 119.7 . . ?
C014 C01P H01P 119.7 . . ?
C014 C01P C01Z 120.6(4) . . ?
C01C C01Q H01Q 120.4 . . ?
C01X C01Q C01C 119.2(4) . . ?
C01X C01Q H01Q 120.4 . . ?
C01N C01R H01R 120.2 . . ?
C01Y C01R C01N 119.6(4) . . ?
C01Y C01R H01R 120.2 . . ?
C01W C01S H01S 120.1 . . ?
C018 C01S H01S 120.1 . . ?
C018 C01S C01W 119.8(4) . . ?
C020 C01T H01T 120.0 . . ?
C020 C01T C025 120.1(4) . . ?
C025 C01T H01T 120.0 . . ?
C01E C01U H01U 120.0 . . ?
C01Y C01U C01E 119.9(4) . . ?
C01Y C01U H01U 120.0 . . ?
C01A C01V H01V 119.8 . . ?
C01O C01V C01A 120.4(4) . . ?
C01O C01V H01V 119.8 . . ?
C01S C01W H01W 119.8 . . ?
C023 C01W C01S 120.3(4) . . ?
C023 C01W H01W 119.8 . . ?
C01O C01X C01Q 120.1(4) . . ?
C01O C01X H01X 119.9 . . ?
C01Q C01X H01X 119.9 . . ?
C01R C01Y C01U 121.2(4) . . ?
C01R C01Y H01Y 119.4 . . ?
C01U C01Y H01Y 119.4 . . ?
C01L C01Z C01P 120.1(4) . . ?
C01L C01Z H01Z 119.9 . . ?
C01P C01Z H01Z 119.9 . . ?
C1 C2 P3 122.3(3) . . ?
C1 C2 C3 107.9(3) . . ?
C3 C2 P3 129.8(3) . . ?
C2 C3 H3 124.1 . . ?
C2 C3 C4 111.8(3) . . ?
C4 C3 H3 124.1 . . ?
C3 C4 Os1 117.9(2) . . ?
C5 C4 Os1 118.5(2) . . ?
C5 C4 C3 123.6(3) . . ?
C4 C5 H5 123.9 . . ?
C4 C5 C6 112.3(3) . . ?
C6 C5 H5 123.9 . . ?
C5 C6 C10 133.0(3) . . ?
C7 C6 C5 114.9(3) . . ?
C7 C6 C10 112.1(3) . . ?
C6 C7 Os1 119.3(2) . . ?
C6 C7 C8 109.1(3) . . ?
C8 C7 Os1 131.5(2) . . ?
C7 C8 H8A 110.6 . . ?
C7 C8 H8B 110.6 . . ?
C7 C8 C9 105.7(3) . . ?
H8A C8 H8B 108.7 . . ?
C9 C8 H8A 110.6 . . ?
C9 C8 H8B 110.6 . . ?
C8 C9 H9A 110.5 . . ?
C8 C9 H9B 110.5 . . ?
H9A C9 H9B 108.7 . . ?
C10 C9 C8 106.3(3) . . ?
C10 C9 H9A 110.5 . . ?
C10 C9 H9B 110.5 . . ?
O1 C10 C6 128.0(4) . . ?
O1 C10 C9 125.3(3) . . ?
C6 C10 C9 106.7(3) . . ?
C00K C011 H011 119.9 . . ?
C00U C011 C00K 120.3(3) . . ?
C00U C011 H011 119.9 . . ?
C00J C012 H012 119.7 . . ?
C01J C012 C00J 120.5(3) . . ?
C01J C012 H012 119.7 . . ?
C00R C013 H013 120.0 . . ?
C015 C013 C00R 119.9(3) . . ?
C015 C013 H013 120.0 . . ?
C01D C014 P2 120.2(3) . . ?
C01P C014 P2 121.1(3) . . ?
C01P C014 C01D 118.6(3) . . ?
C00U C015 C013 120.0(3) . . ?
C00U C015 H015 120.0 . . ?
C013 C015 H015 120.0 . . ?
C00L C016 C00X 120.2(3) . . ?
C00L C016 H016 119.9 . . ?
C00X C016 H016 119.9 . . ?
C00V C018 H018 119.8 . . ?
C01S C018 C00V 120.4(3) . . ?
C01S C018 H018 119.8 . . ?
C00Z C019 C01J 119.9(3) . . ?
C00Z C019 H019 120.1 . . ?
C01J C019 H019 120.1 . . ?
C01I C020 H020 119.8 . . ?
C01T C020 C01I 120.3(4) . . ?
C01T C020 H020 119.8 . . ?
C00V C021 H021 120.0 . . ?
C00V C021 C023 120.0(4) . . ?
C023 C021 H021 120.0 . . ?
C01W C023 C021 120.2(4) . . ?
C01W C023 H023 119.9 . . ?
C021 C023 H023 119.9 . . ?
C00T C024 H024 120.0 . . ?
C025 C024 C00T 120.1(4) . . ?
C025 C024 H024 120.0 . . ?
C01T C025 C024 120.1(4) . . ?
C01T C025 H025 119.9 . . ?
C024 C025 H025 119.9 . . ?
F00A P006 F00B 89.04(18) . . ?
F00A P006 F008 179.2(2) . . ?
F00A P006 F009 90.64(18) . . ?
F00C P006 F00A 90.12(18) . . ?
F00C P006 F00B 90.1(2) . . ?
F00C P006 F008 90.28(17) . . ?
F00C P006 F009 177.8(2) . . ?
F00E P006 F00A 91.20(19) . . ?
F00E P006 F00B 179.7(3) . . ?
F00E P006 F00C 90.0(3) . . ?
F00E P006 F008 89.49(19) . . ?
F00E P006 F009 92.0(2) . . ?
F008 P006 F00B 90.27(19) . . ?
F009 P006 F00B 87.8(2) . . ?
F009 P006 F008 88.94(17) . . ?

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 C00K C00R 103.3(3) . . . . ?
Os1 P1 C00K C011 -68.8(3) . . . . ?
Os1 P1 C00Q C00Y -7.3(3) . . . . ?
Os1 P1 C00Q C01M 175.0(2) . . . . ?
Os1 P1 C00V C018 -59.1(3) . . . . ?
Os1 P1 C00V C021 127.1(3) . . . . ?
Os1 P2 C00J C00P 50.6(3) . . . . ?
Os1 P2 C00J C012 -126.8(3) . . . . ?
Os1 P2 C00N C00G -165.1(2) . . . . ?
Os1 P2 C00N C00M 21.1(3) . . . . ?
Os1 P2 C014 C01D 81.8(3) . . . . ?
Os1 P2 C014 C01P -94.1(3) . . . . ?
Os1 C1 C2 P3 178.54(18) . . . . ?
Os1 C1 C2 C3 0.1(4) . . . . ?
Os1 C4 C5 C6 1.4(4) . . . . ?
Os1 C7 C8 C9 -177.9(3) . . . . ?
Cl1 Os1 C1 C2 -179.4(3) . . . . ?
P1 Os1 C1 C2 91.4(3) . . . . ?
P1 C00K C00R C013 -171.5(3) . . . . ?
P1 C00K C011 C00U 170.7(3) . . . . ?
P1 C00Q C00Y C01B -175.2(3) . . . . ?
P1 C00Q C01M C01G 175.9(3) . . . . ?
P1 C00V C018 C01S -171.9(3) . . . . ?
P1 C00V C021 C023 172.8(3) . . . . ?
P2 Os1 C1 C2 -95.2(3) . . . . ?
P2 C00J C00P C00Z -175.6(3) . . . . ?
P2 C00J C012 C01J 176.8(3) . . . . ?
P3 C00T C01I C020 176.1(3) . . . . ?
P3 C00T C024 C025 -174.3(3) . . . . ?
P3 C00W C01E C01U 179.3(3) . . . . ?
P3 C00W C01N C01R -178.8(3) . . . . ?
P3 C01C C01Q C01X 175.1(3) . . . . ?
P3 C2 C3 C4 -178.5(2) . . . . ?
C00G C00X C016 C00L -1.8(5) . . . . ?
C00J P2 C00N C00G 68.6(3) . . . . ?
C00J P2 C00N C00M -105.2(3) . . . . ?
C00J P2 C014 C01D -150.4(3) . . . . ?
C00J P2 C014 C01P 33.7(3) . . . . ?
C00J C00P C00Z C019 -1.7(5) . . . . ?
C00K P1 C00Q C00Y 115.2(3) . . . . ?
C00K P1 C00Q C01M -62.5(3) . . . . ?
C00K P1 C00V C018 173.6(3) . . . . ?
C00K P1 C00V C021 -0.2(4) . . . . ?
C00K C00R C013 C015 1.2(5) . . . . ?
C00L C00M C00N P2 172.8(3) . . . . ?
C00L C00M C00N C00G -1.0(5) . . . . ?
C00M C00L C016 C00X 1.8(5) . . . . ?
C00N P2 C00J C00P 175.5(3) . . . . ?
C00N P2 C00J C012 -1.9(3) . . . . ?
C00N P2 C014 C01D -43.1(3) . . . . ?
C00N P2 C014 C01P 141.0(3) . . . . ?
C00N C00G C00X C016 0.5(5) . . . . ?
C00P C00J C012 C01J -0.6(5) . . . . ?
C00P C00Z C019 C01J 0.2(6) . . . . ?
C00Q P1 C00K C00R -20.6(3) . . . . ?
C00Q P1 C00K C011 167.3(3) . . . . ?
C00Q P1 C00V C018 66.8(3) . . . . ?
C00Q P1 C00V C021 -107.0(3) . . . . ?
C00Q C00Y C01B C01F -1.2(5) . . . . ?
C00R C00K C011 C00U -1.4(5) . . . . ?
C00R C013 C015 C00U -2.3(5) . . . . ?
C00T P3 C00W C01E 64.3(3) . . . . ?
C00T P3 C00W C01N -116.7(3) . . . . ?
C00T P3 C01C C01A 6.3(3) . . . . ?
C00T P3 C01C C01Q -171.9(3) . . . . ?
C00T P3 C2 C1 -47.9(3) . . . . ?
C00T P3 C2 C3 130.2(3) . . . . ?
C00T C01I C020 C01T -2.0(6) . . . . ?
C00T C024 C025 C01T -1.3(6) . . . . ?
C00V P1 C00K C00R -125.8(3) . . . . ?
C00V P1 C00K C011 62.1(3) . . . . ?
C00V P1 C00Q C00Y -135.8(3) . . . . ?
C00V P1 C00Q C01M 46.5(3) . . . . ?
C00V C021 C023 C01W -0.7(7) . . . . ?
C00W P3 C00T C01I 173.5(3) . . . . ?
C00W P3 C00T C024 -11.4(4) . . . . ?
C00W P3 C01C C01A -115.3(3) . . . . ?
C00W P3 C01C C01Q 66.6(3) . . . . ?
C00W P3 C2 C1 71.4(3) . . . . ?
C00W P3 C2 C3 -110.5(3) . . . . ?
C00W C01E C01U C01Y -0.1(6) . . . . ?
C00W C01N C01R C01Y -0.7(6) . . . . ?
C00X C00G C00N P2 -173.0(3) . . . . ?
C00X C00G C00N C00M 1.0(5) . . . . ?
C00Y C00Q C01M C01G -1.9(5) . . . . ?
C00Y C01B C01F C01G -0.7(6) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
C01A C01C C01Q C01X -3.1(5) . . . . ?
C01B C01F C01G C01M 1.4(6) . . . . ?
C01C P3 C00T C01I 52.1(3) . . . . ?
C01C P3 C00T C024 -132.8(3) . . . . ?
C01C P3 C00W C01E -172.9(3) . . . . ?
C01C P3 C00W C01N 6.2(3) . . . . ?
C01C P3 C2 C1 -168.8(3) . . . . ?
C01C P3 C2 C3 9.2(4) . . . . ?
C01C C01A C01V C01O 0.7(6) . . . . ?
C01C C01Q C01X C01O 1.1(6) . . . . ?
C01D C01K C01L C01Z 0.2(6) . . . . ?
C01E C00W C01N C01R 0.2(5) . . . . ?
C01E C01U C01Y C01R -0.4(6) . . . . ?
C01F C01G C01M C00Q 0.0(6) . . . . ?
C01I C00T C024 C025 0.7(6) . . . . ?
C01K C01D C014 P2 -177.2(3) . . . . ?
C01K C01D C014 C01P -1.2(5) . . . . ?
C01K C01L C01Z C01P -0.8(6) . . . . ?
C01M C00Q C00Y C01B 2.5(5) . . . . ?
C01N C00W C01E C01U 0.2(5) . . . . ?
C01N C01R C01Y C01U 0.8(6) . . . . ?
C01S C01W C023 C021 1.2(7) . . . . ?
C01V C01A C01C P3 -175.9(3) . . . . ?
C01V C01A C01C C01Q 2.3(5) . . . . ?
C01V C01O C01X C01Q 1.9(6) . . . . ?
C01W C01S C018 C00V -1.7(6) . . . . ?
C01X C01O C01V C01A -2.8(6) . . . . ?
C01Z C01P C014 P2 176.7(3) . . . . ?
C01Z C01P C014 C01D 0.7(6) . . . . ?
C2 P3 C00T C01I -66.8(3) . . . . ?
C2 P3 C00T C024 108.2(3) . . . . ?
C2 P3 C00W C01E -53.5(3) . . . . ?
C2 P3 C00W C01N 125.5(3) . . . . ?
C2 P3 C01C C01A 124.4(3) . . . . ?
C2 P3 C01C C01Q -53.8(3) . . . . ?
C2 C3 C4 Os1 0.2(4) . . . . ?
C2 C3 C4 C5 -178.4(3) . . . . ?
C3 C4 C5 C6 -179.9(3) . . . . ?
C4 Os1 C1 C2 0.0(3) . . . . ?
C4 C5 C6 C7 0.0(4) . . . . ?
C4 C5 C6 C10 -179.7(3) . . . . ?
C5 C6 C7 Os1 -1.5(4) . . . . ?
C5 C6 C7 C8 178.6(3) . . . . ?
C5 C6 C10 O1 0.4(7) . . . . ?
C5 C6 C10 C9 -179.7(4) . . . . ?
C6 C7 C8 C9 2.0(4) . . . . ?
C7 Os1 C1 C2 -0.4(5) . . . . ?
C7 C6 C10 O1 -179.3(4) . . . . ?
C7 C6 C10 C9 0.5(4) . . . . ?
C7 C8 C9 C10 -1.7(4) . . . . ?
C8 C9 C10 O1 -179.4(4) . . . . ?
C8 C9 C10 C6 0.8(4) . . . . ?
C10 C6 C7 Os1 178.3(2) . . . . ?
C10 C6 C7 C8 -1.6(4) . . . . ?
C011 C00K C00R C013 0.7(5) . . . . ?
C011 C00U C015 C013 1.6(6) . . . . ?
C012 C00J C00P C00Z 1.8(5) . . . . ?
C012 C01J C019 C00Z 1.0(5) . . . . ?
C014 P2 C00J C00P -75.9(3) . . . . ?
C014 P2 C00J C012 106.8(3) . . . . ?
C014 P2 C00N C00G -40.3(3) . . . . ?
C014 P2 C00N C00M 145.9(3) . . . . ?
C014 C01D C01K C01L 0.8(5) . . . . ?
C014 C01P C01Z C01L 0.3(6) . . . . ?
C015 C00U C011 C00K 0.3(5) . . . . ?
C016 C00L C00M C00N -0.3(5) . . . . ?
C018 C00V C021 C023 -1.0(6) . . . . ?
C018 C01S C01W C023 0.0(6) . . . . ?
C019 C01J C012 C00J -0.8(5) . . . . ?
C020 C01T C025 C024 0.2(6) . . . . ?
C021 C00V C018 C01S 2.2(5) . . . . ?
C024 C00T C01I C020 1.0(6) . . . . ?
C025 C01T C020 C01I 1.4(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.562
_oxdiff_exptl_absorpt_empirical_full_min 0.657
####################################################################### 
# 
# 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_2e
_database_code_depnum_ccdc_archive 'CCDC 2054285'
loop_
_audit_author_name
_audit_author_address
'Hongjian Wang'
;Xiamen University
China
;
_audit_update_record             
;
2021-01-07 deposited with the CCDC.	2021-03-31 downloaded from the CCDC.
;
_audit_creation_date             2021-01-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H58 Cl N O2 Os P3, F6 P'
_chemical_formula_sum            'C72 H58 Cl F6 N O2 Os P4'
_chemical_formula_weight         1432.72
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C2 P2 Cl2 Os2 H1 '
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'
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                   11.89493(6)
_cell_length_b                   15.07972(8)
_cell_length_c                   17.48685(8)
_cell_angle_alpha                91.6955(4)
_cell_angle_beta                 95.1283(4)
_cell_angle_gamma                99.0034(4)
_cell_volume                     3082.58(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    69959
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      74.3470
_cell_measurement_theta_min      3.7480
_shelx_estimated_absorpt_T_max   0.759
_shelx_estimated_absorpt_T_min   0.388
_exptl_absorpt_coefficient_mu    5.842
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.80a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            86906
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.452
_diffrn_reflns_theta_min         2.539
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     19.00  45.00   0.50    0.40    --   43.22  57.00  60.00   52
  2  ω     46.00  72.00   0.50    0.40    --   43.22  57.00  60.00   52
  3  ω    103.00 133.00   0.50    0.40    --   58.00  82.00  42.27   60
  4  ω    125.00 150.00   0.50    1.20    --  107.76 116.00  -9.00   50
  5  ω    136.00 163.00   0.50    1.20    --  107.76 125.00 -60.00   54
  6  ω    122.00 148.00   0.50    0.40    --   74.00  77.00-130.48   52
  7  ω     92.00 178.00   0.50    1.20    --  107.76 125.00-180.00  172
  8  ω     96.00 178.00   0.50    1.20    --  107.76  45.00-120.00  164
  9  ω     92.00 130.00   0.50    1.20    --  107.76 125.00 -60.00   76
 10  ω     74.00 175.00   0.50    1.20    --  102.00  74.00 -46.84  202
 11  ω     81.00 157.00   0.50    1.20    --  107.76  77.00  30.00  152
 12  ω     87.00 178.00   0.50    1.20    --  107.76  61.00   0.00  182
 13  ω     84.00 178.00   0.50    1.20    --  107.76  45.00 150.00  188
 14  ω     83.00 173.00   0.50    1.20    --  107.76  45.00 120.00  180
 15  ω     82.00 178.00   0.50    1.20    --  107.76  61.00  60.00  192
 16  ω     89.00 114.00   0.50    1.20    --  107.76 165.00 137.00   50
 17  ω     77.00 115.00   0.50    0.40    --   43.22 165.00 137.00   76
 18  ω     33.00  59.00   0.50    0.40    --   66.00  81.00 115.40   52
 19  ω     41.00  70.00   0.50    0.40    --   74.00  82.00 126.87   58
 20  ω     26.00  65.00   0.50    0.40    --   58.00  82.00  42.27   78
 21  ω     37.00  62.00   0.50    0.40    --   70.00  83.00   7.93   50
 22  ω     19.00  44.00   0.50    0.40    --   54.00  87.00 -14.66   50
 23  ω     30.00  56.00   0.50    0.40    --   62.00  80.00   1.35   52
 24  ω     19.00  45.00   0.50    0.40    --   54.00  87.00  70.82   52
 25  ω     18.00  45.00   0.50    0.40    --   54.00  89.00  94.59   54
 26  ω     17.00  42.00   0.50    0.40    --   54.00  91.00 160.87   50
 27  ω     33.00  64.00   0.50    0.40    --   66.00  82.00 174.40   62
 28  ω     -2.00  24.00   0.50    0.40    --   38.00  96.00  26.61   52
 29  ω     29.00  73.00   0.50    0.40    --   62.00  82.00 -63.51   88
 30  ω     29.00  55.00   0.50    0.40    --   62.00  83.00-100.26   52
 31  ω     43.00  69.00   0.50    0.40    --   74.00  77.00-130.48   52
 32  ω     75.00 175.00   0.50    1.20    --  102.00  75.00 -82.49  200
 33  ω     80.00 174.00   0.50    1.20    --  107.76  77.00-180.00  188
 34  ω     76.00 102.00   0.50    1.20    --  107.76 -77.00 -60.00   52
 35  ω     77.00 112.00   0.50    1.20    --  107.76-116.00 -98.00   70
 36  ω     82.00 110.00   0.50    1.20    --  107.76-125.00 -30.00   56
 37  ω     92.00 119.00   0.50    0.40    --   43.22-165.00 114.00   54
 38  ω    107.00 144.00   0.50    1.20    --  107.76-165.00 114.00   74
 39  ω     52.00 101.00   0.50    1.20    --  107.76-165.00 114.00   98
 40  ω     37.00 109.00   0.50    1.20    --  107.76 -94.00 150.00  144
 41  ω     40.00 116.00   0.50    1.20    --  107.76-125.00 120.00  152
 42  ω     35.00  70.00   0.50    1.20    --  107.76 -61.00 -30.00   70
 43  ω     33.00  65.00   0.50    1.20    --  107.76 -61.00 -60.00   64
 44  ω     35.00  87.00   0.50    1.20    --  107.76 -77.00-120.00  104
 45  ω     34.00  99.00   0.50    1.20    --  107.76 -77.00-180.00  130
 46  ω     32.00  86.00   0.50    0.40    --   43.22-116.00 -98.00  108
 47  ω     36.00  99.00   0.50    1.20    --  107.76 -77.00 -90.00  126
 48  ω     33.00 102.00   0.50    1.20    --  107.76 -77.00  90.00  138
 49  ω     30.00  57.00   0.50    0.40    --   62.00  80.00-144.69   54
 50  ω      1.00  26.00   0.50    0.40    --   42.00  98.00-129.12   50
 51  ω     11.00  36.00   0.50    0.40    --   50.00  94.00-155.89   50
 52  ω    -69.00 -19.00   0.50    0.40    --  -43.22 -57.00-150.00  100
 53  ω    -68.00 -42.00   0.50    1.20    --  -74.00 -81.00 -50.97   52
 54  ω    -58.00 -19.00   0.50    0.40    --  -43.22 -57.00 -30.00   78
 55  ω    -61.00 -34.00   0.50    0.40    --  -66.00 -80.00   7.00   54
 56  ω    -61.00 -35.00   0.50    0.40    --  -66.00 -79.00  59.96   52
 57  ω    -66.00 -41.00   0.50    1.20    --  -74.00 -82.00  49.71   50
 58  ω    -68.00 -43.00   0.50    1.20    --  -74.00 -76.00  71.22   50
 59  ω    -71.00 -45.00   0.50    1.20    --  -74.00 -77.00 159.39   52
 60  ω    -47.00 -16.00   0.50    0.40    --  -43.22 -68.00 165.81   62
 61  ω    -79.00 -45.00   0.50    0.40    --  -43.22-165.00 114.00   68
 62  ω    -94.00 -63.00   0.50    1.20    --  -90.25-165.00 114.00   62
 63  ω   -104.00 -53.00   0.50    0.40    --  -43.22 -68.00 165.81  102
 64  ω   -100.00 -50.00   0.50    1.20    --  -78.00 -71.00 123.77  100
 65  ω    -90.00 -60.00   0.50    1.20    --  -90.25 -76.00 133.76   60
 66  ω    -88.00 -59.00   0.50    1.20    --  -90.25 -77.00  78.53   58
 67  ω    -85.00 -51.00   0.50    1.20    --  -82.00 -76.00  22.87   68
 68  ω    -79.00 -49.00   0.50    1.20    --  -78.00 -71.00  -5.85   60
 69  ω    -76.00 -47.00   0.50    1.20    --  -78.00 -78.00 -88.79   58
 70  ω    -69.00 -43.00   0.50    1.20    --  -74.00 -76.00-127.82   52
 71  ω    -81.00 -24.00   0.50    0.40    --  -43.22 -42.00-108.07  114
 72  ω    -75.00 -50.00   0.50    1.20    --  -82.00 -79.00-172.28   50
 73  ω    -76.00 -50.00   0.50    1.20    --  -82.00 -79.00-118.79   52
 74  ω    -78.00 -50.00   0.50    1.20    --  -82.00 -79.00 -64.15   56
 75  ω    -91.00 -59.00   0.50    1.20    --  -90.25 -77.00 -84.04   64
 76  ω    -89.00 -59.00   0.50    1.20    --  -90.25 -77.00-120.00   60
 77  ω    -85.00 -59.00   0.50    1.20    --  -90.25 -77.00-150.00   52
 78  ω    -83.00 -58.00   0.50    1.20    --  -90.25 -83.00 -88.36   50
 79  ω    -84.00 -59.00   0.50    1.20    --  -90.25 -77.00 -30.00   50
 80  ω    -89.00 -61.00   0.50    1.20    --  -90.25 -72.00 -19.64   56
 81  ω    -85.00 -59.00   0.50    1.20    --  -90.25 -77.00 -60.00   52
 82  ω   -116.00 -91.00   0.50    0.40    --  -43.22 -42.00-108.07   50
 83  ω   -118.00 -73.00   0.50    0.40    --  -43.22 -57.00-150.00   90
 84  ω   -112.00 -59.00   0.50    1.20    --  -90.00 -76.00 -46.29  106
 85  ω    -87.00 -61.00   0.50    1.20    --  -90.25 -74.00  63.78   52
 86  ω    -86.00 -59.00   0.50    1.20    --  -90.25 -77.00  50.58   54
 87  ω    -94.00 -59.00   0.50    1.20    --  -90.25 -77.00  95.22   70
 88  ω    -84.00 -59.00   0.50    1.20    --  -90.25 -77.00 143.04   50
 89  ω   -121.00 -18.00   0.50    0.40    --  -43.22 -38.00  30.00  206
 90  ω   -116.00 -62.00   0.50    0.40    --  -43.22 -57.00 -30.00  108
 91  ω   -124.00 -60.00   0.50    1.20    --  -90.25 -76.00-129.11  128
 92  ω   -107.00 -61.00   0.50    1.20    --  -90.25 -75.00-172.05   92
 93  ω   -125.00 -99.00   0.50    1.20    --  -90.25 -77.00 -60.00   52
 94  ω   -134.00 -57.00   0.50    1.20    --  -90.25 -82.00   6.73  154
 95  ω   -130.00-104.00   0.50    1.20    --  -90.25 -76.00 133.76   52
 96  ω   -134.00 -58.00   0.50    1.20    --  -90.25 -81.00 171.06  152
 97  ω   -137.00-112.00   0.50    1.20    --  -90.25 -77.00 143.04   50
 98  ω   -164.00 -59.00   0.50    1.20    --  -90.25 -77.00 120.00  210
 99  ω   -134.00-109.00   0.50    1.20    --  -90.25 -77.00 -30.00   50
100  ω   -146.00-121.00   0.50    1.20    --  -90.25-116.00 -98.00   50
101  ω   -137.00 -97.00   0.50    1.20    --  -90.25 -77.00 -84.04   80
102  ω   -142.00-109.00   0.50    1.20    --  -90.25 -77.00-150.00   66
103  ω   -160.00-134.00   0.50    1.20    --  -90.25 -77.00-120.00   52
104  ω   -165.00-125.00   0.50    1.20    --  -90.25 -75.00-172.05   80
105  ω   -163.00-105.00   0.50    1.20    --  -90.25 -72.00 -19.64  116
106  ω   -152.00-124.00   0.50    1.20    --  -90.25 -77.00  50.58   56
107  ω   -163.00-138.00   0.50    1.20    --  -90.25 -77.00 -30.00   50
108  ω   -163.00-110.00   0.50    1.20    --  -90.25 -74.00  63.78  106
109  ω   -165.00-139.00   0.50    1.20    --  -90.25 -81.00 171.06   52
110  ω    -77.00 -14.00   0.50    0.40    --  -43.22 116.00  -9.00  126
111  ω    -47.00 -22.00   0.50    1.20    --  -90.25 116.00  -9.00   50
112  ω    -85.00 -60.00   0.50    1.20    --  -90.25 116.00  -9.00   50
113  ω   -109.00 -55.00   0.50    0.40    --  -43.22 165.00 137.00  108
114  ω    -99.00 -74.00   0.50    1.20    --  -90.25 165.00 137.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0488384000
_diffrn_orient_matrix_UB_12      -0.0691499000
_diffrn_orient_matrix_UB_13      0.0510372000
_diffrn_orient_matrix_UB_21      -0.0044866000
_diffrn_orient_matrix_UB_22      -0.0638722000
_diffrn_orient_matrix_UB_23      -0.0709997000
_diffrn_orient_matrix_UB_31      0.1222582000
_diffrn_orient_matrix_UB_32      0.0431114000
_diffrn_orient_matrix_UB_33      -0.0139086000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12040
_reflns_number_total             12253
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.49
_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       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.80a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.300
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.077
_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     784
_refine_ls_number_reflns         12253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0246
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0272P)²+5.0628P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0586
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8a,H8b), C9(H9a,H9b), C12(H12a,H12b)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C00L(H00L), C3(H3), C00Q(H00Q), C00S(H00S), C00T(H00T), C00U(H00U),
 C00W(H00W), C00X(H00X), C00Z(H00Z), C012(H012), C015(H015), C016(H016),
 C017(H017), C018(H018), C01A(H01A), C01B(H01B), C01C(H01C), C01D(H01D),
 C01E(H01E), C01G(H01G), C01H(H01H), C01J(H01J), C01K(H01K), C01L(H01L),
 C14(H14), C01O(H01O), C01P(H01P), C18(H18), C01R(H01R), C01S(H01S), C01U(H01U),
  C01W(H01W), C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021),
 C15(H15), C023(H023), C024(H024), C16(H16), C026(H026), C027(H027), C028(H028),
  C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C17(H17), C02E(H02E),
 C02F(H02F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.50619(2) 0.28491(2) 0.32834(2) 0.01083(3) Uani 1 1 d . . . . .
Cl1 Cl 0.51500(5) 0.43470(3) 0.38607(3) 0.01984(11) Uani 1 1 d . . . . .
P2 P 0.30921(5) 0.29749(4) 0.29121(3) 0.01310(10) Uani 1 1 d . . . . .
P1 P 0.70123(4) 0.29686(4) 0.38031(3) 0.01305(10) Uani 1 1 d . . . . .
P3 P 0.61393(5) 0.23331(4) 0.08501(3) 0.01436(11) Uani 1 1 d . . . . .
O2 O 0.43117(17) -0.04371(12) 0.19118(10) 0.0294(4) Uani 1 1 d . . . . .
O1 O 0.36475(17) -0.01571(12) 0.47346(10) 0.0281(4) Uani 1 1 d . . . . .
N1 N 0.43692(17) -0.01336(13) 0.32082(11) 0.0187(4) Uani 1 1 d . . . . .
H1 H 0.430413 -0.041178 0.362822 0.022 Uiso 1 1 calc R U . . .
C00D C 0.22348(18) 0.20938(15) 0.22603(13) 0.0163(4) Uani 1 1 d . . . . .
C6 C 0.43414(19) 0.11387(15) 0.40387(12) 0.0157(4) Uani 1 1 d . . . . .
C7 C 0.45288(18) 0.20583(15) 0.41652(12) 0.0147(4) Uani 1 1 d . . . . .
C4 C 0.49316(18) 0.14975(14) 0.28317(12) 0.0125(4) Uani 1 1 d . . . . .
C00H C 0.6625(2) 0.13046(15) 0.06021(13) 0.0174(4) Uani 1 1 d . . . . .
C00I C 0.77377(19) 0.20805(15) 0.34555(13) 0.0165(4) Uani 1 1 d . . . . .
C00J C 0.5006(2) 0.25626(15) 0.01726(13) 0.0183(4) Uani 1 1 d . . . . .
C2 C 0.56543(19) 0.22270(15) 0.17800(12) 0.0147(4) Uani 1 1 d . . . . .
C00L C 0.1641(2) 0.22929(17) 0.15777(13) 0.0202(5) Uani 1 1 d . . . . .
H00L H 0.167772 0.288743 0.144119 0.024 Uiso 1 1 calc R U . . .
C3 C 0.52727(19) 0.13996(15) 0.20951(12) 0.0152(4) Uani 1 1 d . . . . .
H3 H 0.525002 0.084616 0.184000 0.018 Uiso 1 1 calc R U . . .
C00N C 0.73038(19) 0.29883(16) 0.48544(13) 0.0176(4) Uani 1 1 d . . . . .
C00O C 0.79347(19) 0.39951(14) 0.35746(12) 0.0151(4) Uani 1 1 d . . . . .
C00P C 0.7275(2) 0.32708(15) 0.08312(12) 0.0180(4) Uani 1 1 d . . . . .
C00Q C 0.7948(2) 0.05108(17) 0.34169(15) 0.0255(5) Uani 1 1 d . . . . .
H00Q H 0.772439 -0.007295 0.356463 0.031 Uiso 1 1 calc R U . . .
C10 C 0.3889(2) 0.06592(16) 0.46901(13) 0.0195(5) Uani 1 1 d . . . . .
C00S C 0.7393(2) 0.11965(16) 0.36619(14) 0.0204(5) Uani 1 1 d . . . . .
H00S H 0.678956 0.106787 0.396492 0.025 Uiso 1 1 calc R U . . .
C00T C 0.21617(19) 0.11905(16) 0.24487(14) 0.0201(5) Uani 1 1 d . . . . .
H00T H 0.254839 0.104471 0.290190 0.024 Uiso 1 1 calc R U . . .
C00U C 0.90118(19) 0.42312(15) 0.39896(13) 0.0175(4) Uani 1 1 d . . . . .
H00U H 0.922997 0.388077 0.438833 0.021 Uiso 1 1 calc R U . . .
C11 C 0.4273(2) -0.06973(16) 0.25567(14) 0.0210(5) Uani 1 1 d . . . . .
C00W C 0.9753(2) 0.49840(16) 0.38085(14) 0.0200(5) Uani 1 1 d . . . . .
H00W H 1.046344 0.513766 0.408737 0.024 Uiso 1 1 calc R U . . .
C00X C 0.7621(2) 0.45254(15) 0.29780(13) 0.0187(4) Uani 1 1 d . . . . .
H00X H 0.690894 0.437716 0.269977 0.022 Uiso 1 1 calc R U . . .
C00Z C 0.1908(2) 0.38266(17) 0.48966(14) 0.0226(5) Uani 1 1 d . . . . .
H00Z H 0.205970 0.433946 0.522124 0.027 Uiso 1 1 calc R U . . .
C011 C 0.22615(19) 0.30232(15) 0.37439(12) 0.0165(4) Uani 1 1 d . . . . .
C012 C 0.8620(2) 0.22544(16) 0.29796(13) 0.0198(5) Uani 1 1 d . . . . .
H012 H 0.884721 0.283639 0.282908 0.024 Uiso 1 1 calc R U . . .
C013 C 0.28976(19) 0.39895(15) 0.24055(13) 0.0169(4) Uani 1 1 d . . . . .
C5 C 0.45513(18) 0.07987(14) 0.33092(12) 0.0144(4) Uani 1 1 d . . . . .
C015 C 0.8374(2) 0.52776(16) 0.27977(14) 0.0214(5) Uani 1 1 d . . . . .
H015 H 0.816281 0.562751 0.239667 0.026 Uiso 1 1 calc R U . . .
C016 C 0.7303(2) 0.09370(16) 0.11662(14) 0.0220(5) Uani 1 1 d . . . . .
H016 H 0.746444 0.121373 0.165461 0.026 Uiso 1 1 calc R U . . .
C017 C 0.2464(2) 0.37935(16) 0.42326(14) 0.0209(5) Uani 1 1 d . . . . .
H017 H 0.297636 0.428939 0.411212 0.025 Uiso 1 1 calc R U . . .
C018 C 0.1474(2) 0.22974(17) 0.39270(14) 0.0235(5) Uani 1 1 d . . . . .
H018 H 0.132354 0.178033 0.360738 0.028 Uiso 1 1 calc R U . . .
C1 C 0.55308(18) 0.29084(14) 0.23096(12) 0.0135(4) Uani 1 1 d . . . . .
C01A C 0.8834(2) 0.06931(17) 0.29529(16) 0.0269(5) Uani 1 1 d . . . . .
H01A H 0.920766 0.023284 0.279273 0.032 Uiso 1 1 calc R U . . .
C01B C 0.6376(2) 0.08881(16) -0.01282(13) 0.0223(5) Uani 1 1 d . . . . .
H01B H 0.591890 0.112646 -0.050252 0.027 Uiso 1 1 calc R U . . .
C01C C 0.5259(2) 0.28511(16) -0.05544(13) 0.0230(5) Uani 1 1 d . . . . .
H01C H 0.600518 0.291438 -0.068905 0.028 Uiso 1 1 calc R U . . .
C01D C 0.9437(2) 0.55085(16) 0.32129(14) 0.0201(5) Uani 1 1 d . . . . .
H01D H 0.993473 0.601283 0.309191 0.024 Uiso 1 1 calc R U . . .
C01E C 0.7733(2) 0.01589(17) 0.09942(14) 0.0236(5) Uani 1 1 d . . . . .
H01E H 0.818251 -0.008884 0.136699 0.028 Uiso 1 1 calc R U . . .
C01G C 0.1520(2) 0.05103(17) 0.19683(15) 0.0246(5) Uani 1 1 d . . . . .
H01G H 0.148319 -0.008604 0.209952 0.029 Uiso 1 1 calc R U . . .
C01H C 0.6974(2) 0.36860(17) 0.52833(13) 0.0224(5) Uani 1 1 d . . . . .
H01H H 0.657309 0.409590 0.503811 0.027 Uiso 1 1 calc R U . . .
C13 C 0.5326(2) -0.20003(16) 0.27942(13) 0.0220(5) Uani 1 1 d . . . . .
C01J C 0.0993(2) 0.16061(18) 0.10978(14) 0.0252(5) Uani 1 1 d . . . . .
H01J H 0.060004 0.174652 0.064516 0.030 Uiso 1 1 calc R U . . .
C01K C 0.7491(2) -0.02471(17) 0.02657(15) 0.0256(5) Uani 1 1 d . . . . .
H01K H 0.778332 -0.076683 0.014936 0.031 Uiso 1 1 calc R U . . .
C01L C 0.0934(2) 0.07204(18) 0.12921(15) 0.0261(5) Uani 1 1 d . . . . .
H01L H 0.050273 0.026551 0.097090 0.031 Uiso 1 1 calc R U . . .
C14 C 0.5410(2) -0.28296(17) 0.31121(14) 0.0256(5) Uani 1 1 d . . . . .
H14 H 0.475944 -0.317861 0.326462 0.031 Uiso 1 1 calc R U . . .
C8 C 0.4280(2) 0.22771(15) 0.49759(12) 0.0182(4) Uani 1 1 d . . . . .
H8A H 0.374445 0.270056 0.497636 0.022 Uiso 1 1 calc R U . . .
H8B H 0.497714 0.253520 0.528693 0.022 Uiso 1 1 calc R U . . .
C01O C 0.3890(2) 0.24761(17) 0.03762(14) 0.0226(5) Uani 1 1 d . . . . .
H01O H 0.372304 0.229099 0.086168 0.027 Uiso 1 1 calc R U . . .
C01P C 0.1895(2) 0.43620(16) 0.24390(13) 0.0199(5) Uani 1 1 d . . . . .
H01P H 0.136369 0.413943 0.277287 0.024 Uiso 1 1 calc R U . . .
C18 C 0.6305(2) -0.14964(16) 0.25595(14) 0.0244(5) Uani 1 1 d . . . . .
H18 H 0.626115 -0.094825 0.233780 0.029 Uiso 1 1 calc R U . . .
C01R C 0.1131(2) 0.31001(18) 0.50757(14) 0.0250(5) Uani 1 1 d . . . . .
H01R H 0.076084 0.312078 0.552082 0.030 Uiso 1 1 calc R U . . .
C01S C 0.3681(2) 0.43333(17) 0.19040(15) 0.0256(5) Uani 1 1 d . . . . .
H01S H 0.435971 0.410266 0.188592 0.031 Uiso 1 1 calc R U . . .
C9 C 0.3758(2) 0.13728(16) 0.52887(13) 0.0234(5) Uani 1 1 d . . . . .
H9A H 0.416100 0.127174 0.577748 0.028 Uiso 1 1 calc R U . . .
H9B H 0.295763 0.136678 0.536006 0.028 Uiso 1 1 calc R U . . .
C01U C 0.7002(2) 0.41393(17) 0.08410(14) 0.0247(5) Uani 1 1 d . . . . .
H01U H 0.625038 0.422609 0.087415 0.030 Uiso 1 1 calc R U . . .
C12 C 0.4167(2) -0.16841(16) 0.27180(15) 0.0248(5) Uani 1 1 d . . . . .
H12A H 0.368071 -0.203153 0.230419 0.030 Uiso 1 1 calc R U . . .
H12B H 0.380611 -0.179139 0.318981 0.030 Uiso 1 1 calc R U . . .
C01W C 0.1693(2) 0.50636(17) 0.19746(14) 0.0243(5) Uani 1 1 d . . . . .
H01W H 0.103425 0.531777 0.200754 0.029 Uiso 1 1 calc R U . . .
C01X C 0.9162(2) 0.15580(18) 0.27286(15) 0.0255(5) Uani 1 1 d . . . . .
H01X H 0.974660 0.167697 0.240883 0.031 Uiso 1 1 calc R U . . .
C01Y C 0.8399(2) 0.31441(18) 0.07721(16) 0.0284(5) Uani 1 1 d . . . . .
H01Y H 0.858162 0.256694 0.075453 0.034 Uiso 1 1 calc R U . . .
C01Z C 0.3275(2) 0.29408(17) -0.08723(15) 0.0281(6) Uani 1 1 d . . . . .
H01Z H 0.269116 0.305753 -0.122668 0.034 Uiso 1 1 calc R U . . .
C020 C 0.7900(2) 0.23779(18) 0.52357(14) 0.0249(5) Uani 1 1 d . . . . .
H020 H 0.812413 0.190970 0.495928 0.030 Uiso 1 1 calc R U . . .
C021 C 0.3027(2) 0.26692(18) -0.01537(15) 0.0283(5) Uani 1 1 d . . . . .
H021 H 0.227957 0.261448 -0.002152 0.034 Uiso 1 1 calc R U . . .
C15 C 0.6448(3) -0.31390(18) 0.32032(15) 0.0308(6) Uani 1 1 d . . . . .
H15 H 0.649146 -0.369284 0.341434 0.037 Uiso 1 1 calc R U . . .
C023 C 0.8974(2) 0.47439(18) 0.07547(15) 0.0289(6) Uani 1 1 d . . . . .
H023 H 0.954555 0.523744 0.073344 0.035 Uiso 1 1 calc R U . . .
C024 C 0.9247(2) 0.38881(19) 0.07396(18) 0.0342(6) Uani 1 1 d . . . . .
H024 H 1.000082 0.380740 0.070762 0.041 Uiso 1 1 calc R U . . .
C16 C 0.7422(3) -0.26226(19) 0.29794(15) 0.0314(6) Uani 1 1 d . . . . .
H16 H 0.812256 -0.282430 0.304780 0.038 Uiso 1 1 calc R U . . .
C026 C 0.6819(2) 0.01129(18) -0.02898(15) 0.0279(5) Uani 1 1 d . . . . .
H026 H 0.666265 -0.016685 -0.077717 0.034 Uiso 1 1 calc R U . . .
C027 C 0.7245(2) 0.37683(19) 0.60776(14) 0.0300(6) Uani 1 1 d . . . . .
H027 H 0.702695 0.423473 0.635962 0.036 Uiso 1 1 calc R U . . .
C028 C 0.0908(2) 0.23422(19) 0.45884(16) 0.0306(6) Uani 1 1 d . . . . .
H028 H 0.037405 0.185673 0.470282 0.037 Uiso 1 1 calc R U . . .
C029 C 0.4386(3) 0.30417(17) -0.10721(14) 0.0285(6) Uani 1 1 d . . . . .
H029 H 0.454807 0.323803 -0.155536 0.034 Uiso 1 1 calc R U . . .
C02A C 0.7837(2) 0.3160(2) 0.64475(14) 0.0328(6) Uani 1 1 d . . . . .
H02A H 0.801640 0.321764 0.697714 0.039 Uiso 1 1 calc R U . . .
C02B C 0.7859(2) 0.48721(17) 0.08011(15) 0.0290(6) Uani 1 1 d . . . . .
H02B H 0.768046 0.545084 0.080563 0.035 Uiso 1 1 calc R U . . .
C02C C 0.2466(2) 0.53851(18) 0.14643(16) 0.0308(6) Uani 1 1 d . . . . .
H02C H 0.231897 0.584514 0.114597 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7349(2) -0.18038(18) 0.26530(15) 0.0290(6) Uani 1 1 d . . . . .
H17 H 0.800071 -0.145976 0.249632 0.035 Uiso 1 1 calc R U . . .
C02E C 0.3457(3) 0.5021(2) 0.14285(18) 0.0354(7) Uani 1 1 d . . . . .
H02E H 0.397740 0.523653 0.108477 0.042 Uiso 1 1 calc R U . . .
C02F C 0.8160(2) 0.2470(2) 0.60311(15) 0.0316(6) Uani 1 1 d . . . . .
H02F H 0.855568 0.206081 0.628199 0.038 Uiso 1 1 calc R U . . .
P4 P 0.03647(6) 0.77253(4) 0.13848(4) 0.02960(15) Uani 1 1 d . . . . .
F5 F 0.1044(2) 0.84183(17) 0.08839(17) 0.0803(8) Uani 1 1 d . . . . .
F6 F 0.1248(3) 0.70678(18) 0.1390(2) 0.1081(13) Uani 1 1 d . . . . .
F7 F 0.1048(3) 0.82358(16) 0.21283(15) 0.0991(11) Uani 1 1 d . . . . .
F2 F -0.0295(2) 0.72085(15) 0.06279(12) 0.0593(6) Uani 1 1 d . . . . .
F3 F -0.0566(2) 0.83800(17) 0.13895(16) 0.0720(7) Uani 1 1 d . . . . .
F1 F -0.0408(4) 0.7045(2) 0.18731(19) 0.1177(13) 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 2.4299(5) . ?
Os1 P2 2.4129(5) . ?
Os1 P1 2.3923(5) . ?
Os1 C7 2.061(2) . ?
Os1 C4 2.141(2) . ?
Os1 C1 1.839(2) . ?
P2 C00D 1.839(2) . ?
P2 C011 1.836(2) . ?
P2 C013 1.826(2) . ?
P1 C00I 1.821(2) . ?
P1 C00N 1.839(2) . ?
P1 C00O 1.828(2) . ?
P3 C00H 1.792(2) . ?
P3 C00J 1.796(2) . ?
P3 C2 1.777(2) . ?
P3 C00P 1.800(2) . ?
O2 C11 1.207(3) . ?
O1 C10 1.226(3) . ?
N1 H1 0.8600 . ?
N1 C11 1.387(3) . ?
N1 C5 1.392(3) . ?
C00D C00L 1.396(3) . ?
C00D C00T 1.402(3) . ?
C6 C7 1.378(3) . ?
C6 C10 1.465(3) . ?
C6 C5 1.418(3) . ?
C7 C8 1.511(3) . ?
C4 C3 1.395(3) . ?
C4 C5 1.408(3) . ?
C00H C016 1.400(3) . ?
C00H C01B 1.393(3) . ?
C00I C00S 1.400(3) . ?
C00I C012 1.395(3) . ?
C00J C01C 1.399(3) . ?
C00J C01O 1.392(3) . ?
C2 C3 1.405(3) . ?
C2 C1 1.397(3) . ?
C00L H00L 0.9300 . ?
C00L C01J 1.398(3) . ?
C3 H3 0.9300 . ?
C00N C01H 1.399(3) . ?
C00N C020 1.397(3) . ?
C00O C00U 1.404(3) . ?
C00O C00X 1.393(3) . ?
C00P C01U 1.398(3) . ?
C00P C01Y 1.391(4) . ?
C00Q H00Q 0.9300 . ?
C00Q C00S 1.388(3) . ?
C00Q C01A 1.386(4) . ?
C10 C9 1.514(3) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C01G 1.389(3) . ?
C00U H00U 0.9300 . ?
C00U C00W 1.387(3) . ?
C11 C12 1.511(3) . ?
C00W H00W 0.9300 . ?
C00W C01D 1.387(3) . ?
C00X H00X 0.9300 . ?
C00X C015 1.393(3) . ?
C00Z H00Z 0.9300 . ?
C00Z C017 1.390(3) . ?
C00Z C01R 1.381(4) . ?
C011 C017 1.398(3) . ?
C011 C018 1.390(3) . ?
C012 H012 0.9300 . ?
C012 C01X 1.395(3) . ?
C013 C01P 1.400(3) . ?
C013 C01S 1.389(3) . ?
C015 H015 0.9300 . ?
C015 C01D 1.390(3) . ?
C016 H016 0.9300 . ?
C016 C01E 1.387(3) . ?
C017 H017 0.9300 . ?
C018 H018 0.9300 . ?
C018 C028 1.394(3) . ?
C01A H01A 0.9300 . ?
C01A C01X 1.380(4) . ?
C01B H01B 0.9300 . ?
C01B C026 1.387(3) . ?
C01C H01C 0.9300 . ?
C01C C029 1.386(4) . ?
C01D H01D 0.9300 . ?
C01E H01E 0.9300 . ?
C01E C01K 1.383(4) . ?
C01G H01G 0.9300 . ?
C01G C01L 1.389(4) . ?
C01H H01H 0.9300 . ?
C01H C027 1.395(3) . ?
C13 C14 1.398(3) . ?
C13 C18 1.388(4) . ?
C13 C12 1.524(4) . ?
C01J H01J 0.9300 . ?
C01J C01L 1.381(4) . ?
C01K H01K 0.9300 . ?
C01K C026 1.380(4) . ?
C01L H01L 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.385(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.544(3) . ?
C01O H01O 0.9300 . ?
C01O C021 1.392(3) . ?
C01P H01P 0.9300 . ?
C01P C01W 1.390(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.391(4) . ?
C01R H01R 0.9300 . ?
C01R C028 1.382(4) . ?
C01S H01S 0.9300 . ?
C01S C02E 1.391(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C01U H01U 0.9300 . ?
C01U C02B 1.389(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C01W H01W 0.9300 . ?
C01W C02C 1.381(4) . ?
C01X H01X 0.9300 . ?
C01Y H01Y 0.9300 . ?
C01Y C024 1.393(4) . ?
C01Z H01Z 0.9300 . ?
C01Z C021 1.376(4) . ?
C01Z C029 1.384(4) . ?
C020 H020 0.9300 . ?
C020 C02F 1.396(4) . ?
C021 H021 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.385(4) . ?
C023 H023 0.9300 . ?
C023 C024 1.379(4) . ?
C023 C02B 1.379(4) . ?
C024 H024 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.387(4) . ?
C026 H026 0.9300 . ?
C027 H027 0.9300 . ?
C027 C02A 1.382(4) . ?
C028 H028 0.9300 . ?
C029 H029 0.9300 . ?
C02A H02A 0.9300 . ?
C02A C02F 1.375(4) . ?
C02B H02B 0.9300 . ?
C02C H02C 0.9300 . ?
C02C C02E 1.383(4) . ?
C17 H17 0.9300 . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
P4 F5 1.558(2) . ?
P4 F6 1.553(2) . ?
P4 F7 1.581(2) . ?
P4 F2 1.593(2) . ?
P4 F3 1.594(2) . ?
P4 F1 1.588(3) . ?

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
P2 Os1 Cl1 84.047(18) . . ?
P1 Os1 Cl1 85.453(18) . . ?
P1 Os1 P2 169.253(18) . . ?
C7 Os1 Cl1 101.33(6) . . ?
C7 Os1 P2 88.91(6) . . ?
C7 Os1 P1 90.91(6) . . ?
C7 Os1 C4 75.29(8) . . ?
C4 Os1 Cl1 176.55(6) . . ?
C4 Os1 P2 95.14(6) . . ?
C4 Os1 P1 95.21(6) . . ?
C1 Os1 Cl1 110.71(7) . . ?
C1 Os1 P2 96.22(7) . . ?
C1 Os1 P1 89.62(7) . . ?
C1 Os1 C7 147.89(9) . . ?
C1 Os1 C4 72.69(9) . . ?
C00D P2 Os1 118.29(7) . . ?
C011 P2 Os1 112.30(7) . . ?
C011 P2 C00D 104.57(10) . . ?
C013 P2 Os1 114.27(8) . . ?
C013 P2 C00D 101.66(10) . . ?
C013 P2 C011 104.19(10) . . ?
C00I P1 Os1 113.91(7) . . ?
C00I P1 C00N 104.51(10) . . ?
C00I P1 C00O 103.20(10) . . ?
C00N P1 Os1 117.63(7) . . ?
C00O P1 Os1 114.63(7) . . ?
C00O P1 C00N 101.13(10) . . ?
C00H P3 C00J 111.91(11) . . ?
C00H P3 C00P 110.46(11) . . ?
C00J P3 C00P 105.78(11) . . ?
C2 P3 C00H 107.34(10) . . ?
C2 P3 C00J 110.05(11) . . ?
C2 P3 C00P 111.36(10) . . ?
C11 N1 H1 114.0 . . ?
C11 N1 C5 132.0(2) . . ?
C5 N1 H1 114.0 . . ?
C00L C00D P2 122.10(18) . . ?
C00L C00D C00T 118.2(2) . . ?
C00T C00D P2 119.65(17) . . ?
C7 C6 C10 112.8(2) . . ?
C7 C6 C5 117.4(2) . . ?
C5 C6 C10 129.8(2) . . ?
C6 C7 Os1 118.35(16) . . ?
C6 C7 C8 108.92(19) . . ?
C8 C7 Os1 132.73(16) . . ?
C3 C4 Os1 116.03(15) . . ?
C3 C4 C5 126.41(19) . . ?
C5 C4 Os1 117.53(15) . . ?
C016 C00H P3 117.58(17) . . ?
C01B C00H P3 122.19(18) . . ?
C01B C00H C016 120.2(2) . . ?
C00S C00I P1 119.30(17) . . ?
C012 C00I P1 121.78(17) . . ?
C012 C00I C00S 118.9(2) . . ?
C01C C00J P3 119.41(19) . . ?
C01O C00J P3 120.29(18) . . ?
C01O C00J C01C 120.3(2) . . ?
C3 C2 P3 123.85(16) . . ?
C1 C2 P3 128.34(17) . . ?
C1 C2 C3 107.76(19) . . ?
C00D C00L H00L 119.7 . . ?
C00D C00L C01J 120.6(2) . . ?
C01J C00L H00L 119.7 . . ?
C4 C3 C2 112.75(19) . . ?
C4 C3 H3 123.6 . . ?
C2 C3 H3 123.6 . . ?
C01H C00N P1 117.86(18) . . ?
C020 C00N P1 123.12(19) . . ?
C020 C00N C01H 118.9(2) . . ?
C00U C00O P1 118.91(17) . . ?
C00X C00O P1 121.87(17) . . ?
C00X C00O C00U 119.1(2) . . ?
C01U C00P P3 118.59(19) . . ?
C01Y C00P P3 121.39(18) . . ?
C01Y C00P C01U 120.0(2) . . ?
C00S C00Q H00Q 119.9 . . ?
C01A C00Q H00Q 119.9 . . ?
C01A C00Q C00S 120.2(2) . . ?
O1 C10 C6 126.7(2) . . ?
O1 C10 C9 127.0(2) . . ?
C6 C10 C9 106.32(19) . . ?
C00I C00S H00S 119.8 . . ?
C00Q C00S C00I 120.4(2) . . ?
C00Q C00S H00S 119.8 . . ?
C00D C00T H00T 119.5 . . ?
C01G C00T C00D 121.0(2) . . ?
C01G C00T H00T 119.5 . . ?
C00O C00U H00U 119.8 . . ?
C00W C00U C00O 120.4(2) . . ?
C00W C00U H00U 119.8 . . ?
O2 C11 N1 124.0(2) . . ?
O2 C11 C12 121.6(2) . . ?
N1 C11 C12 114.3(2) . . ?
C00U C00W H00W 119.9 . . ?
C01D C00W C00U 120.2(2) . . ?
C01D C00W H00W 119.9 . . ?
C00O C00X H00X 120.0 . . ?
C00O C00X C015 120.1(2) . . ?
C015 C00X H00X 120.0 . . ?
C017 C00Z H00Z 119.9 . . ?
C01R C00Z H00Z 119.9 . . ?
C01R C00Z C017 120.2(2) . . ?
C017 C011 P2 119.38(18) . . ?
C018 C011 P2 121.94(17) . . ?
C018 C011 C017 118.6(2) . . ?
C00I C012 H012 119.9 . . ?
C00I C012 C01X 120.2(2) . . ?
C01X C012 H012 119.9 . . ?
C01P C013 P2 120.78(18) . . ?
C01S C013 P2 119.77(17) . . ?
C01S C013 C01P 119.0(2) . . ?
N1 C5 C6 115.60(19) . . ?
N1 C5 C4 132.9(2) . . ?
C4 C5 C6 111.45(19) . . ?
C00X C015 H015 119.8 . . ?
C01D C015 C00X 120.4(2) . . ?
C01D C015 H015 119.8 . . ?
C00H C016 H016 120.1 . . ?
C01E C016 C00H 119.8(2) . . ?
C01E C016 H016 120.1 . . ?
C00Z C017 C011 120.8(2) . . ?
C00Z C017 H017 119.6 . . ?
C011 C017 H017 119.6 . . ?
C011 C018 H018 119.9 . . ?
C011 C018 C028 120.2(2) . . ?
C028 C018 H018 119.9 . . ?
C2 C1 Os1 130.67(16) . . ?
C00Q C01A H01A 120.0 . . ?
C01X C01A C00Q 120.0(2) . . ?
C01X C01A H01A 120.0 . . ?
C00H C01B H01B 120.4 . . ?
C026 C01B C00H 119.1(2) . . ?
C026 C01B H01B 120.4 . . ?
C00J C01C H01C 120.3 . . ?
C029 C01C C00J 119.3(2) . . ?
C029 C01C H01C 120.3 . . ?
C00W C01D C015 119.7(2) . . ?
C00W C01D H01D 120.1 . . ?
C015 C01D H01D 120.1 . . ?
C016 C01E H01E 120.1 . . ?
C01K C01E C016 119.7(2) . . ?
C01K C01E H01E 120.1 . . ?
C00T C01G H01G 120.0 . . ?
C01L C01G C00T 120.0(2) . . ?
C01L C01G H01G 120.0 . . ?
C00N C01H H01H 119.9 . . ?
C027 C01H C00N 120.2(2) . . ?
C027 C01H H01H 119.9 . . ?
C14 C13 C12 118.9(2) . . ?
C18 C13 C14 118.6(2) . . ?
C18 C13 C12 122.5(2) . . ?
C00L C01J H01J 119.8 . . ?
C01L C01J C00L 120.4(2) . . ?
C01L C01J H01J 119.8 . . ?
C01E C01K H01K 119.7 . . ?
C026 C01K C01E 120.5(2) . . ?
C026 C01K H01K 119.7 . . ?
C01G C01L H01L 120.1 . . ?
C01J C01L C01G 119.9(2) . . ?
C01J C01L H01L 120.1 . . ?
C13 C14 H14 119.5 . . ?
C15 C14 C13 120.9(2) . . ?
C15 C14 H14 119.5 . . ?
C7 C8 H8A 110.6 . . ?
C7 C8 H8B 110.6 . . ?
C7 C8 C9 105.49(18) . . ?
H8A C8 H8B 108.8 . . ?
C9 C8 H8A 110.6 . . ?
C9 C8 H8B 110.6 . . ?
C00J C01O H01O 120.3 . . ?
C021 C01O C00J 119.4(2) . . ?
C021 C01O H01O 120.3 . . ?
C013 C01P H01P 119.9 . . ?
C01W C01P C013 120.2(2) . . ?
C01W C01P H01P 119.9 . . ?
C13 C18 H18 119.7 . . ?
C13 C18 C17 120.6(2) . . ?
C17 C18 H18 119.7 . . ?
C00Z C01R H01R 120.2 . . ?
C00Z C01R C028 119.5(2) . . ?
C028 C01R H01R 120.2 . . ?
C013 C01S H01S 119.8 . . ?
C013 C01S C02E 120.4(2) . . ?
C02E C01S H01S 119.8 . . ?
C10 C9 C8 105.80(18) . . ?
C10 C9 H9A 110.6 . . ?
C10 C9 H9B 110.6 . . ?
C8 C9 H9A 110.6 . . ?
C8 C9 H9B 110.6 . . ?
H9A C9 H9B 108.7 . . ?
C00P C01U H01U 120.2 . . ?
C02B C01U C00P 119.6(2) . . ?
C02B C01U H01U 120.2 . . ?
C11 C12 C13 112.0(2) . . ?
C11 C12 H12A 109.2 . . ?
C11 C12 H12B 109.2 . . ?
C13 C12 H12A 109.2 . . ?
C13 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C01P C01W H01W 119.8 . . ?
C02C C01W C01P 120.3(2) . . ?
C02C C01W H01W 119.8 . . ?
C012 C01X H01X 119.9 . . ?
C01A C01X C012 120.3(2) . . ?
C01A C01X H01X 119.9 . . ?
C00P C01Y H01Y 120.2 . . ?
C00P C01Y C024 119.5(2) . . ?
C024 C01Y H01Y 120.2 . . ?
C021 C01Z H01Z 119.7 . . ?
C021 C01Z C029 120.5(2) . . ?
C029 C01Z H01Z 119.7 . . ?
C00N C020 H020 120.0 . . ?
C02F C020 C00N 120.1(3) . . ?
C02F C020 H020 120.0 . . ?
C01O C021 H021 119.9 . . ?
C01Z C021 C01O 120.2(3) . . ?
C01Z C021 H021 119.9 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 119.9(2) . . ?
C16 C15 H15 120.0 . . ?
C024 C023 H023 119.8 . . ?
C02B C023 H023 119.8 . . ?
C02B C023 C024 120.4(2) . . ?
C01Y C024 H024 119.8 . . ?
C023 C024 C01Y 120.3(3) . . ?
C023 C024 H024 119.8 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.8(3) . . ?
C17 C16 H16 120.1 . . ?
C01B C026 H026 119.7 . . ?
C01K C026 C01B 120.6(2) . . ?
C01K C026 H026 119.7 . . ?
C01H C027 H027 119.8 . . ?
C02A C027 C01H 120.3(3) . . ?
C02A C027 H027 119.8 . . ?
C018 C028 H028 119.6 . . ?
C01R C028 C018 120.7(2) . . ?
C01R C028 H028 119.6 . . ?
C01C C029 H029 119.9 . . ?
C01Z C029 C01C 120.2(2) . . ?
C01Z C029 H029 119.9 . . ?
C027 C02A H02A 120.1 . . ?
C02F C02A C027 119.9(2) . . ?
C02F C02A H02A 120.1 . . ?
C01U C02B H02B 119.9 . . ?
C023 C02B C01U 120.2(2) . . ?
C023 C02B H02B 119.9 . . ?
C01W C02C H02C 120.1 . . ?
C01W C02C C02E 119.8(2) . . ?
C02E C02C H02C 120.1 . . ?
C18 C17 H17 119.9 . . ?
C16 C17 C18 120.1(3) . . ?
C16 C17 H17 119.9 . . ?
C01S C02E H02E 119.8 . . ?
C02C C02E C01S 120.3(3) . . ?
C02C C02E H02E 119.8 . . ?
C020 C02F H02F 119.7 . . ?
C02A C02F C020 120.7(3) . . ?
C02A C02F H02F 119.7 . . ?
F5 P4 F7 89.03(17) . . ?
F5 P4 F2 90.16(15) . . ?
F5 P4 F3 87.11(14) . . ?
F5 P4 F1 175.9(2) . . ?
F6 P4 F5 94.39(19) . . ?
F6 P4 F7 89.60(16) . . ?
F6 P4 F2 89.32(13) . . ?
F6 P4 F3 178.46(19) . . ?
F6 P4 F1 89.3(2) . . ?
F7 P4 F2 178.60(18) . . ?
F7 P4 F3 90.72(16) . . ?
F7 P4 F1 92.76(19) . . ?
F2 P4 F3 90.38(13) . . ?
F1 P4 F2 88.12(17) . . ?
F1 P4 F3 89.19(18) . . ?

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 P2 C00D C00L -126.35(17) . . . . ?
Os1 P2 C00D C00T 54.0(2) . . . . ?
Os1 P2 C011 C017 70.74(19) . . . . ?
Os1 P2 C011 C018 -105.94(19) . . . . ?
Os1 P2 C013 C01P -152.46(16) . . . . ?
Os1 P2 C013 C01S 35.7(2) . . . . ?
Os1 P1 C00I C00S -67.10(19) . . . . ?
Os1 P1 C00I C012 112.04(18) . . . . ?
Os1 P1 C00N C01H -60.51(19) . . . . ?
Os1 P1 C00N C020 123.77(18) . . . . ?
Os1 P1 C00O C00U 165.40(15) . . . . ?
Os1 P1 C00O C00X -17.6(2) . . . . ?
Os1 C7 C8 C9 172.47(17) . . . . ?
Os1 C4 C3 C2 0.3(2) . . . . ?
Os1 C4 C5 N1 -179.97(19) . . . . ?
Os1 C4 C5 C6 -1.4(2) . . . . ?
Cl1 Os1 C1 C2 177.68(19) . . . . ?
P2 Os1 C1 C2 -96.3(2) . . . . ?
P2 C00D C00L C01J -179.68(18) . . . . ?
P2 C00D C00T C01G 179.95(18) . . . . ?
P2 C011 C017 C00Z -175.42(18) . . . . ?
P2 C011 C018 C028 176.3(2) . . . . ?
P2 C013 C01P C01W -171.75(18) . . . . ?
P2 C013 C01S C02E 170.3(2) . . . . ?
P1 Os1 C1 C2 92.7(2) . . . . ?
P1 C00I C00S C00Q -178.71(19) . . . . ?
P1 C00I C012 C01X 179.55(18) . . . . ?
P1 C00N C01H C027 -175.57(19) . . . . ?
P1 C00N C020 C02F 175.55(19) . . . . ?
P1 C00O C00U C00W 177.19(17) . . . . ?
P1 C00O C00X C015 -176.75(18) . . . . ?
P3 C00H C016 C01E -177.74(19) . . . . ?
P3 C00H C01B C026 177.3(2) . . . . ?
P3 C00J C01C C029 -178.97(19) . . . . ?
P3 C00J C01O C021 179.11(19) . . . . ?
P3 C2 C3 C4 -179.67(16) . . . . ?
P3 C2 C1 Os1 -178.73(12) . . . . ?
P3 C00P C01U C02B -177.88(19) . . . . ?
P3 C00P C01Y C024 178.4(2) . . . . ?
O2 C11 C12 C13 85.0(3) . . . . ?
O1 C10 C9 C8 175.3(2) . . . . ?
N1 C11 C12 C13 -92.4(2) . . . . ?
C00D P2 C011 C017 -159.78(18) . . . . ?
C00D P2 C011 C018 23.5(2) . . . . ?
C00D P2 C013 C01P 78.9(2) . . . . ?
C00D P2 C013 C01S -92.9(2) . . . . ?
C00D C00L C01J C01L -0.2(4) . . . . ?
C00D C00T C01G C01L -0.4(4) . . . . ?
C6 C7 C8 C9 -7.5(2) . . . . ?
C6 C10 C9 C8 -5.8(3) . . . . ?
C7 Os1 C1 C2 1.6(3) . . . . ?
C7 C6 C10 O1 -179.8(2) . . . . ?
C7 C6 C10 C9 1.2(3) . . . . ?
C7 C6 C5 N1 179.03(19) . . . . ?
C7 C6 C5 C4 0.2(3) . . . . ?
C7 C8 C9 C10 8.0(2) . . . . ?
C4 Os1 C1 C2 -2.9(2) . . . . ?
C00H P3 C00J C01C -73.7(2) . . . . ?
C00H P3 C00J C01O 107.9(2) . . . . ?
C00H P3 C2 C3 -24.4(2) . . . . ?
C00H P3 C2 C1 158.5(2) . . . . ?
C00H P3 C00P C01U 166.08(18) . . . . ?
C00H P3 C00P C01Y -11.0(2) . . . . ?
C00H C016 C01E C01K 0.2(4) . . . . ?
C00H C01B C026 C01K 0.5(4) . . . . ?
C00I P1 C00N C01H 172.04(18) . . . . ?
C00I P1 C00N C020 -3.7(2) . . . . ?
C00I P1 C00O C00U -70.17(19) . . . . ?
C00I P1 C00O C00X 106.80(19) . . . . ?
C00I C012 C01X C01A -0.4(4) . . . . ?
C00J P3 C00H C016 -165.17(18) . . . . ?
C00J P3 C00H C01B 16.7(2) . . . . ?
C00J P3 C2 C3 97.6(2) . . . . ?
C00J P3 C2 C1 -79.5(2) . . . . ?
C00J P3 C00P C01U 44.8(2) . . . . ?
C00J P3 C00P C01Y -132.3(2) . . . . ?
C00J C01C C029 C01Z -0.5(4) . . . . ?
C00J C01O C021 C01Z 0.2(4) . . . . ?
C2 P3 C00H C016 -44.3(2) . . . . ?
C2 P3 C00H C01B 137.6(2) . . . . ?
C2 P3 C00J C01C 167.01(18) . . . . ?
C2 P3 C00J C01O -11.4(2) . . . . ?
C2 P3 C00P C01U -74.7(2) . . . . ?
C2 P3 C00P C01Y 108.2(2) . . . . ?
C00L C00D C00T C01G 0.3(3) . . . . ?
C00L C01J C01L C01G 0.1(4) . . . . ?
C3 C4 C5 N1 -2.3(4) . . . . ?
C3 C4 C5 C6 176.3(2) . . . . ?
C3 C2 C1 Os1 3.8(3) . . . . ?
C00N P1 C00I C00S 62.6(2) . . . . ?
C00N P1 C00I C012 -118.26(19) . . . . ?
C00N P1 C00O C00U 37.80(19) . . . . ?
C00N P1 C00O C00X -145.24(19) . . . . ?
C00N C01H C027 C02A -0.3(4) . . . . ?
C00N C020 C02F C02A -0.2(4) . . . . ?
C00O P1 C00I C00S 167.99(18) . . . . ?
C00O P1 C00I C012 -12.9(2) . . . . ?
C00O P1 C00N C01H 65.11(19) . . . . ?
C00O P1 C00N C020 -110.6(2) . . . . ?
C00O C00U C00W C01D -0.3(3) . . . . ?
C00O C00X C015 C01D -0.4(3) . . . . ?
C00P P3 C00H C016 77.3(2) . . . . ?
C00P P3 C00H C01B -100.9(2) . . . . ?
C00P P3 C00J C01C 46.6(2) . . . . ?
C00P P3 C00J C01O -131.76(19) . . . . ?
C00P P3 C2 C3 -145.43(19) . . . . ?
C00P P3 C2 C1 37.5(2) . . . . ?
C00P C01U C02B C023 -0.2(4) . . . . ?
C00P C01Y C024 C023 -0.9(4) . . . . ?
C00Q C01A C01X C012 1.3(4) . . . . ?
C10 C6 C7 Os1 -175.92(15) . . . . ?
C10 C6 C7 C8 4.1(3) . . . . ?
C10 C6 C5 N1 -4.5(3) . . . . ?
C10 C6 C5 C4 176.7(2) . . . . ?
C00S C00I C012 C01X -1.3(3) . . . . ?
C00S C00Q C01A C01X -0.5(4) . . . . ?
C00T C00D C00L C01J 0.0(3) . . . . ?
C00T C01G C01L C01J 0.2(4) . . . . ?
C00U C00O C00X C015 0.2(3) . . . . ?
C00U C00W C01D C015 0.1(3) . . . . ?
C11 N1 C5 C6 166.1(2) . . . . ?
C11 N1 C5 C4 -15.3(4) . . . . ?
C00X C00O C00U C00W 0.1(3) . . . . ?
C00X C015 C01D C00W 0.3(3) . . . . ?
C00Z C01R C028 C018 1.2(4) . . . . ?
C011 P2 C00D C00L 107.84(19) . . . . ?
C011 P2 C00D C00T -71.84(19) . . . . ?
C011 P2 C013 C01P -29.5(2) . . . . ?
C011 P2 C013 C01S 158.6(2) . . . . ?
C011 C018 C028 C01R -0.9(4) . . . . ?
C012 C00I C00S C00Q 2.1(3) . . . . ?
C013 P2 C00D C00L -0.4(2) . . . . ?
C013 P2 C00D C00T 179.97(18) . . . . ?
C013 P2 C011 C017 -53.5(2) . . . . ?
C013 P2 C011 C018 129.9(2) . . . . ?
C013 C01P C01W C02C 1.5(4) . . . . ?
C013 C01S C02E C02C 1.7(5) . . . . ?
C5 N1 C11 O2 -1.9(4) . . . . ?
C5 N1 C11 C12 175.4(2) . . . . ?
C5 C6 C7 Os1 1.2(3) . . . . ?
C5 C6 C7 C8 -178.85(19) . . . . ?
C5 C6 C10 O1 3.5(4) . . . . ?
C5 C6 C10 C9 -175.4(2) . . . . ?
C5 C4 C3 C2 -177.4(2) . . . . ?
C016 C00H C01B C026 -0.7(4) . . . . ?
C016 C01E C01K C026 -0.4(4) . . . . ?
C017 C00Z C01R C028 -0.3(4) . . . . ?
C017 C011 C018 C028 -0.4(4) . . . . ?
C018 C011 C017 C00Z 1.4(3) . . . . ?
C1 C2 C3 C4 -2.1(3) . . . . ?
C01A C00Q C00S C00I -1.3(4) . . . . ?
C01B C00H C016 C01E 0.4(4) . . . . ?
C01C C00J C01O C021 0.8(4) . . . . ?
C01E C01K C026 C01B 0.1(4) . . . . ?
C01H C00N C020 C02F -0.1(4) . . . . ?
C01H C027 C02A C02F 0.0(4) . . . . ?
C13 C14 C15 C16 0.2(4) . . . . ?
C13 C18 C17 C16 0.3(4) . . . . ?
C14 C13 C18 C17 -1.2(4) . . . . ?
C14 C13 C12 C11 165.6(2) . . . . ?
C14 C15 C16 C17 -1.1(4) . . . . ?
C01O C00J C01C C029 -0.6(4) . . . . ?
C01P C013 C01S C02E -1.7(4) . . . . ?
C01P C01W C02C C02E -1.5(4) . . . . ?
C18 C13 C14 C15 1.0(4) . . . . ?
C18 C13 C12 C11 -14.4(3) . . . . ?
C01R C00Z C017 C011 -1.1(4) . . . . ?
C01S C013 C01P C01W 0.1(3) . . . . ?
C01U C00P C01Y C024 1.3(4) . . . . ?
C12 C13 C14 C15 -179.0(2) . . . . ?
C12 C13 C18 C17 178.8(2) . . . . ?
C01W C02C C02E C01S -0.1(5) . . . . ?
C01Y C00P C01U C02B -0.8(4) . . . . ?
C020 C00N C01H C027 0.3(3) . . . . ?
C021 C01Z C029 C01C 1.4(4) . . . . ?
C15 C16 C17 C18 0.8(4) . . . . ?
C024 C023 C02B C01U 0.7(4) . . . . ?
C027 C02A C02F C020 0.2(4) . . . . ?
C029 C01Z C021 C01O -1.2(4) . . . . ?
C02B C023 C024 C01Y -0.1(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 0.000 0.500 145.4 42.4 '1 CH2Cl2'
2 0.400 0.467 0.811 7.2 0.0 ?
3 0.500 0.500 1.000 16.0 0.2 '0.4 H2O'
4 0.600 0.533 0.189 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
