# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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 2190320'
loop_
_audit_author_name
_audit_author_address
'Jiawei Fei'
;Xiamen University
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-04-24 downloaded from the CCDC.
;
_audit_creation_date             2022-09-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H52 Cl2 O Os P3, C H2 Cl2, B F4'
_chemical_formula_sum            'C64 H54 B Cl4 F4 O Os P3'
_chemical_formula_weight         1350.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C63 H52Cl2OOsP3CH2Cl2BF4'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   10.15200(10)
_cell_length_b                   12.5705(2)
_cell_length_c                   23.1569(3)
_cell_angle_alpha                102.3440(10)
_cell_angle_beta                 99.8500(10)
_cell_angle_gamma                97.6070(10)
_cell_volume                     2800.15(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    35042
_cell_measurement_temperature    100.00(12)
_cell_measurement_theta_max      74.2210
_cell_measurement_theta_min      4.5130
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.337
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.074
_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 brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-6 3 4 0.1277
0 -8 2 0.0870
4 6 -4 0.0925
-5 6 -1 0.1801
0 0 1 0.0434
0 0 -1 0.0039

_exptl_crystal_size_max          0.494
_exptl_crystal_size_mid          0.247
_exptl_crystal_size_min          0.047
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
-6.2244 3.0934 4.4589 0.4620 0.0867 0.8827
-0.4060 -7.9509 2.0409 0.7451 0.1380 -0.6525
3.8329 5.9508 -4.4320 -0.9734 -0.1809 0.1407
-4.7888 6.3406 -0.7006 0.0416 -0.2181 0.9750
-0.0007 -0.0000 0.9996 -0.0101 0.0671 0.0150
0.0007 0.0000 -0.9996 0.0101 -0.0671 -0.0150

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1429
_diffrn_reflns_av_unetI/netI     0.0617
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            67098
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        62.495
_diffrn_reflns_theta_max         62.495
_diffrn_reflns_theta_min         3.656
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(12)
_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 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     30.00  56.00   0.50    0.08    --   62.00  80.00-154.74   52
  2  ω     38.00  66.00   0.50    0.08    --   70.00  80.00-149.85   56
  3  ω    127.00 171.00   0.50    0.30    --  107.76  77.00  30.00   88
  4  ω     89.00 172.00   0.50    0.30    --  107.76  77.00  60.00  166
  5  ω     77.00 112.00   0.50    0.30    --  107.76  77.00  30.00   70
  6  ω     79.00 110.00   0.50    0.30    --  107.76  77.00   0.00   62
  7  ω    113.00 177.00   0.50    0.30    --  107.76  77.00   0.00  128
  8  ω     78.00 176.00   0.50    0.30    --  107.76  77.00 120.00  196
  9  ω     77.00 178.00   0.50    0.30    --  107.76  77.00 150.00  202
 10  ω     87.00 147.00   0.50    0.30    --  107.76  61.00  30.00  120
 11  ω     90.00 177.00   0.50    0.30    --  107.76  61.00  90.00  174
 12  ω     78.00 148.00   0.50    0.30    --  107.76  77.00 -90.00  140
 13  ω     83.00 113.00   0.50    0.30    --  107.76  61.00-150.00   60
 14  ω    130.00 160.00   0.50    0.30    --  107.76  61.00-150.00   60
 15  ω     84.00 143.00   0.50    0.30    --  107.76  61.00 -90.00  118
 16  ω     32.00  60.00   0.50    0.08    --   43.10  38.00 -90.00   56
 17  ω     81.00 178.00   0.50    0.30    --  107.76  30.00-120.00  194
 18  ω     87.00 177.00   0.50    0.30    --  107.76  45.00 -30.00  180
 19  ω    113.00 156.00   0.50    0.30    --  107.76  45.00 150.00   86
 20  ω     83.00 108.00   0.50    0.30    --  107.76  45.00 150.00   50
 21  ω     21.00  90.00   0.50    0.08    --   43.10  38.00 150.00  138
 22  ω    108.00 161.00   0.50    0.30    --  107.76 110.00 -33.00  106
 23  ω     29.00  64.00   0.50    0.08    --   62.00  83.00 -60.68   70
 24  ω     19.00  45.00   0.50    0.08    --   54.00  88.00-117.04   52
 25  ω     16.00  41.00   0.50    0.08    --   54.00  92.00 -31.45   50
 26  ω     29.00  55.00   0.50    0.08    --   62.00  83.00 -17.93   52
 27  ω     30.00  64.00   0.50    0.08    --   62.00  81.00-103.73   68
 28  ω     17.00  42.00   0.50    0.08    --   54.00  90.00 159.74   50
 29  ω     29.00  56.00   0.50    0.08    --   62.00  82.00 169.59   54
 30  ω     64.00  91.00   0.50    0.08    --   62.00  82.00 169.59   54
 31  ω     42.00  67.00   0.50    0.08    --   74.00  81.00 116.75   50
 32  ω     15.00  41.00   0.50    0.08    --   50.00  88.00  84.62   52
 33  ω      7.00  32.00   0.50    0.08    --   42.00  89.00 171.89   50
 34  ω      2.00  27.00   0.50    0.08    --   42.00  97.00 129.09   50
 35  ω     -4.00  24.00   0.50    0.08    --   38.00 100.00 -36.00   56
 36  ω    -66.00  31.00   0.50    0.08    --  -43.10  57.00  60.00  194
 37  ω    -49.00 -24.00   0.50    0.30    --  -90.25 110.00 -33.00   50
 38  ω    -84.00 -31.00   0.50    0.08    --  -43.10 110.00 -33.00  106
 39  ω    -26.00   2.00   0.50    0.08    --  -43.10 110.00 -33.00   56
 40  ω     78.00 105.00   0.50    0.30    --  107.76 -77.00 -30.00   54
 41  ω     42.00  69.00   0.50    0.30    --  107.76 -61.00 -90.00   54
 42  ω     34.00  90.00   0.50    0.30    --  107.76 -77.00-150.00  112
 43  ω     35.00  69.00   0.50    0.30    --  107.76 -77.00 -30.00   68
 44  ω     35.00  70.00   0.50    0.30    --  107.76 -61.00  30.00   70
 45  ω     34.00  65.00   0.50    0.30    --  107.76 -61.00  90.00   62
 46  ω     34.00  70.00   0.50    0.30    --  107.76 -61.00 150.00   72
 47  ω     36.00  99.00   0.50    0.08    --   43.10-125.00 150.00  126
 48  ω     34.00 113.00   0.50    0.30    --  107.76-125.00 120.00  158
 49  ω     90.00 116.00   0.50    0.30    --  107.76-125.00 -30.00   52
 50  ω     34.00 109.00   0.50    0.30    --  107.76-125.00-180.00  150
 51  ω     34.00 117.00   0.50    0.30    --  107.76-125.00-150.00  166
 52  ω     21.00  63.00   0.50    0.08    --   43.10-110.00-128.00   84
 53  ω     37.00  68.00   0.50    0.30    --  107.76-125.00 -30.00   62
 54  ω     67.00 111.00   0.50    0.30    --  107.76-110.00-128.00   88
 55  ω     49.00 108.00   0.50    0.30    --  107.76 -94.00 -90.00  118
 56  ω     44.00 103.00   0.50    0.30    --  107.76 -94.00 -30.00  118
 57  ω     44.00  80.00   0.50    0.30    --  107.76 -94.00  60.00   72
 58  ω     35.00  78.00   0.50    0.30    --  107.76-125.00  60.00   86
 59  ω     87.00 114.00   0.50    0.30    --  107.76-125.00  60.00   54
 60  ω     69.00  94.00   0.50    0.30    --  107.76-125.00 150.00   50
 61  ω    -75.00 -20.00   0.50    0.08    --  -43.10 -57.00 -60.00  110
 62  ω    -83.00 -20.00   0.50    0.08    --  -43.10 -57.00  30.00  126
 63  ω    -57.00 -20.00   0.50    0.08    --  -43.10 -57.00  90.00   74
 64  ω    -59.00 -19.00   0.50    0.08    --  -43.10 -38.00  60.00   80
 65  ω   -121.00 -76.00   0.50    0.08    --  -43.10 -38.00  60.00   90
 66  ω   -116.00 -86.00   0.50    0.08    --  -43.10 -57.00  30.00   60
 67  ω   -117.00 -78.00   0.50    0.08    --  -43.10 -57.00 -60.00   78
 68  ω   -132.00-105.00   0.50    0.30    --  -90.25 -69.00   1.81   54
 69  ω   -134.00-108.00   0.50    0.08    --  -66.00 -79.00 -47.78   52
 70  ω    -66.00 -34.00   0.50    0.08    --  -66.00 -79.00 -47.78   64
 71  ω   -120.00 -95.00   0.50    0.08    --  -66.00 -79.00  26.57   50
 72  ω    -78.00 -50.00   0.50    0.30    --  -82.00 -79.00  78.72   56
 73  ω    -74.00 -34.00   0.50    0.08    --  -66.00 -79.00  26.57   80
 74  ω    -73.00 -47.00   0.50    0.30    --  -78.00 -78.00  54.61   52
 75  ω    -73.00 -46.00   0.50    0.30    --  -78.00 -79.00 146.18   54
 76  ω    -69.00 -43.00   0.50    0.30    --  -74.00 -78.00 159.28   52
 77  ω   -102.00 -58.00   0.50    0.30    --  -90.25 -80.00 167.75   88
 78  ω   -138.00-105.00   0.50    0.30    --  -90.25 -80.00 167.75   66
 79  ω   -165.00 -97.00   0.50    0.30    --  -90.25 -77.00  30.00  136
 80  ω    -67.00 -35.00   0.50    0.08    --  -66.00 -78.00  -8.18   64
 81  ω    -85.00 -59.00   0.50    0.30    --  -90.25 -77.00  50.02   52
 82  ω    -84.00 -59.00   0.50    0.30    --  -90.25 -77.00   0.00   50
 83  ω    -89.00 -59.00   0.50    0.30    --  -90.25 -77.00  30.00   60
 84  ω   -140.00-101.00   0.50    0.30    --  -90.25 -77.00   0.00   78
 85  ω   -149.00-123.00   0.50    0.30    --  -90.25 -77.00  50.02   52
 86  ω   -155.00-129.00   0.50    0.30    --  -82.00 -76.00 116.52   52
 87  ω    -73.00 -48.00   0.50    0.30    --  -78.00 -76.00  29.56   50
 88  ω   -141.00-115.00   0.50    0.08    --  -66.00 -78.00  -8.18   52
 89  ω   -155.00-129.00   0.50    0.30    --  -90.25 -76.00  -7.79   52
 90  ω   -141.00 -61.00   0.50    0.30    --  -90.25 -77.00-120.00  160
 91  ω    -86.00 -59.00   0.50    0.30    --  -90.25 -77.00-180.00   54
 92  ω    -71.00 -44.00   0.50    0.30    --  -74.00 -76.00-138.37   54
 93  ω    -96.00 -60.00   0.50    0.30    --  -90.25 -75.00-107.76   72
 94  ω    -88.00 -55.00   0.50    0.30    --  -86.00 -76.00 -93.71   66
 95  ω   -102.00 -60.00   0.50    0.30    --  -90.25 -75.00 -88.83   84
 96  ω    -94.00 -64.00   0.50    0.30    --  -90.25 -75.00-139.99   60
 97  ω   -157.00-130.00   0.50    0.30    --  -90.25 -75.00-107.76   54
 98  ω   -104.00 -60.00   0.50    0.30    --  -90.25 -74.00 -48.30   88
 99  ω    -70.00 -45.00   0.50    0.30    --  -74.00 -71.00 -50.16   50
100  ω   -100.00 -60.00   0.50    0.30    --  -90.25 -76.00  -7.79   80
101  ω   -108.00 -61.00   0.50    0.30    --  -90.25 -75.00  80.24   94
102  ω    -77.00 -51.00   0.50    0.30    --  -82.00 -76.00 116.52   52
103  ω    -87.00 -62.00   0.50    0.30    --  -90.25 -71.00  57.85   50
104  ω    -71.00 -46.00   0.50    0.30    --  -74.00 -70.00 -20.52   50
105  ω    -89.00 -63.00   0.50    0.30    --  -90.25 -69.00   1.81   52
106  ω   -155.00-128.00   0.50    0.30    --  -90.25 -74.00 -48.30   54
107  ω    -99.00 -70.00   0.50    0.08    --  -43.10-125.00  30.00   58
108  ω   -148.00-123.00   0.50    0.30    --  -90.25-110.00-128.00   50
109  ω    -74.00 -48.00   0.50    0.30    --  -82.00 -83.00-141.40   52
110  ω    -73.00 -48.00   0.50    0.30    --  -82.00 -83.00-162.68   50
111  ω    -77.00 -48.00   0.50    0.30    --  -82.00 -83.00 -47.55   58
112  ω   -132.00 -57.00   0.50    0.30    --  -90.25 -83.00 -12.14  150
113  ω    -57.00 -32.00   0.50    0.08    --  -66.00 -83.00  70.43   50
114  ω    -82.00 -57.00   0.50    0.30    --  -90.25 -82.00 110.49   50
115  ω   -152.00-100.00   0.50    0.30    --  -90.25 -81.00 144.18  104
116  ω   -152.00-114.00   0.50    0.30    --  -90.25 -82.00 110.49   76
117  ω   -130.00-105.00   0.50    0.08    --  -62.00 -81.00  97.58   50
118  ω    -82.00 -57.00   0.50    0.30    --  -90.25 -81.00 144.18   50
119  ω    -54.00 -29.00   0.50    0.08    --  -62.00 -81.00  97.58   50
120  ω    -82.00 -57.00   0.50    0.30    --  -90.25 -81.00 -64.39   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      -0.1262204000
_diffrn_orient_matrix_UB_12      -0.0898944000
_diffrn_orient_matrix_UB_13      -0.0102290000
_diffrn_orient_matrix_UB_21      0.0333132000
_diffrn_orient_matrix_UB_22      -0.0018045000
_diffrn_orient_matrix_UB_23      0.0671970000
_diffrn_orient_matrix_UB_31      -0.0862269000
_diffrn_orient_matrix_UB_32      0.0903039000
_diffrn_orient_matrix_UB_33      0.0149355000
_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                8386
_reflns_number_total             8941
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.887
_refine_diff_density_min         -1.324
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         8941
_refine_ls_number_restraints     99
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0550
_refine_ls_restrained_S_all      1.067
_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)+(0.0819P)²+10.9656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1463
_refine_ls_wR_factor_ref         0.1489
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Uiso/Uaniso restraints and constraints
C01O \\sim C01V \\sim C024 \\sim C023 \\sim C025 \\sim C01X: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
Uanis(Cl00) \\sim Ueq, Uanis(C026) \\sim Ueq, Uanis(Cl07) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
3. Rigid body (RIGU) restrains
 Cl00, C026, Cl07
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C01O, C01V, C024, C023, C025, C01X
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Others
 Sof(H3B)=Sof(O01Q)=Sof(H01Q)=1-FVAR(1)
 Sof(H3A)=Sof(O1)=Sof(H1A)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C3(H3B), C3(H3A)
5.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C026(H02A,H02B)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C00E(H00E), C00F(H00F), C00H(H00H), C00I(H00I), C00J(H00J),
 C00O(H00O), C00P(H00P), C00R(H00R), C00T(H00T), C00U(H00U), C00V(H00V),
 C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011),
 C012(H012), C015(H015), C7(H7), C019(H019), C01A(H01A), C01B(H01B), C01C(H01C),
  C6(H6), C01E(H01E), C01F(H01F), C01I(H01I), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01V(H01V), C024(H024), C023(H023), C025(H025),
 C01X(H01X), C01P(H01P), C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U),
 C01W(H01W), C01Y(H01Y), C01Z(H01Z), C020(H020), C022(H022)
5.d Fitted hexagon refined as free rotating group:
 C01O(C01V,C024,C023,C025,C01X)
5.e Idealised tetrahedral OH refined as rotating group:
 O01Q(H01Q), O1(H1A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.24751(2) 0.20589(2) 0.64946(2) 0.02799(13) Uani 1 1 d . . . . .
Cl1 Cl 0.48214(14) 0.22282(12) 0.63022(7) 0.0328(3) Uani 1 1 d . . . . .
P2 P 0.24005(15) 0.01478(12) 0.65786(7) 0.0309(3) Uani 1 1 d . . . . .
P1 P 0.26342(14) 0.39404(12) 0.63633(7) 0.0290(3) Uani 1 1 d . . . . .
P3 P 0.37455(17) 0.34460(14) 0.86148(7) 0.0371(4) Uani 1 1 d . . . . .
Cl2 Cl -0.15414(19) 0.2275(2) 0.72678(10) 0.0703(6) Uani 1 1 d . . . . .
Cl07 Cl 1.2440(3) 0.8779(3) 1.05903(15) 0.1077(10) Uani 1 1 d . U . . .
Cl00 Cl 0.9740(4) 0.7523(4) 1.0501(3) 0.1491(16) Uani 1 1 d . U . . .
C009 C 0.2781(6) -0.0881(5) 0.5957(3) 0.0333(13) Uani 1 1 d . . . . .
C1 C 0.3545(6) 0.2637(5) 0.7381(2) 0.0281(12) Uani 1 1 d . . . . .
H1 H 0.4507 0.2717 0.7464 0.034 Uiso 1 1 calc R U . . .
C00B C 0.3539(7) -0.0132(5) 0.7208(3) 0.0339(13) Uani 1 1 d . . . . .
C00C C 0.2492(6) 0.3978(5) 0.5568(3) 0.0317(13) Uani 1 1 d . . . . .
C00D C 0.4144(6) 0.4999(5) 0.6698(3) 0.0356(14) Uani 1 1 d . . . . .
C00E C 0.1307(6) 0.4028(5) 0.5187(3) 0.0364(14) Uani 1 1 d . . . . .
H00E H 0.0500 0.4075 0.5339 0.044 Uiso 1 1 calc R U . . .
C00F C 0.3425(7) -0.2448(6) 0.5048(3) 0.0421(16) Uani 1 1 d . . . . .
H00F H 0.3627 -0.2976 0.4731 0.051 Uiso 1 1 calc R U . . .
C2 C 0.2903(6) 0.2901(5) 0.7839(3) 0.0336(13) Uani 1 1 d . . . . .
C00H C 0.3787(7) -0.0588(5) 0.5652(3) 0.0390(15) Uani 1 1 d . . . . .
H00H H 0.4259 0.0153 0.5754 0.047 Uiso 1 1 calc R U . . .
C00I C 0.4205(7) 0.5965(6) 0.6484(3) 0.0428(15) Uani 1 1 d . . . . .
H00I H 0.3551 0.5991 0.6143 0.051 Uiso 1 1 calc R U . . .
C00J C 0.5126(6) 0.4967(6) 0.7176(3) 0.0382(14) Uani 1 1 d . . . . .
H00J H 0.5117 0.4312 0.7319 0.046 Uiso 1 1 calc R U . . .
F00K F 0.9017(7) 0.7242(6) 0.8346(4) 0.128(3) Uani 1 1 d . . . . .
C4 C 0.0966(7) 0.2225(5) 0.6972(3) 0.0393(15) Uani 1 1 d . . . . .
C00M C 0.1336(6) 0.4684(6) 0.6629(3) 0.0380(15) Uani 1 1 d . . . . .
C00N C 0.3755(8) 0.2440(6) 0.9061(3) 0.0462(17) Uani 1 1 d . . . . .
C00O C 0.3161(7) -0.0956(6) 0.7492(3) 0.0463(17) Uani 1 1 d . . . . .
H00O H 0.2257 -0.1354 0.7384 0.056 Uiso 1 1 calc R U . . .
C00P C 0.5814(7) 0.0167(6) 0.7793(3) 0.0452(16) Uani 1 1 d . . . . .
H00P H 0.6727 0.0545 0.7894 0.054 Uiso 1 1 calc R U . . .
C8 C 0.0876(8) 0.1579(6) 0.5758(3) 0.0472(18) Uani 1 1 d . . . . .
C00R C 0.1282(7) 0.4009(5) 0.4581(3) 0.0400(15) Uani 1 1 d . . . . .
H00R H 0.0465 0.4054 0.4324 0.048 Uiso 1 1 calc R U . . .
C9 C 0.1941(7) 0.1407(6) 0.5504(3) 0.0418(16) Uani 1 1 d . . . . .
H9A H 0.2211 0.1914 0.5254 0.050 Uiso 1 1 calc R U . . .
H9B H 0.2028 0.0629 0.5344 0.050 Uiso 1 1 calc R U . . .
C00T C 0.3661(7) 0.3894(6) 0.5329(3) 0.0409(15) Uani 1 1 d . . . . .
H00T H 0.4485 0.3858 0.5583 0.049 Uiso 1 1 calc R U . . .
C00U C 0.4890(7) 0.0427(6) 0.7361(3) 0.0405(15) Uani 1 1 d . . . . .
H00U H 0.5165 0.0985 0.7165 0.049 Uiso 1 1 calc R U . . .
C00V C -0.0026(7) 0.4209(6) 0.6423(3) 0.0429(16) Uani 1 1 d . . . . .
H00V H -0.0277 0.3537 0.6120 0.051 Uiso 1 1 calc R U . . .
C00W C 0.2140(7) -0.1985(5) 0.5814(3) 0.0383(14) Uani 1 1 d . . . . .
H00W H 0.1484 -0.2210 0.6032 0.046 Uiso 1 1 calc R U . . .
C00X C 0.5206(8) 0.6881(6) 0.6763(4) 0.0513(18) Uani 1 1 d . . . . .
H00X H 0.5228 0.7534 0.6617 0.062 Uiso 1 1 calc R U . . .
C00Y C 0.2450(7) 0.3926(5) 0.4354(3) 0.0414(15) Uani 1 1 d . . . . .
H00Y H 0.2433 0.3912 0.3941 0.050 Uiso 1 1 calc R U . . .
C00Z C 0.2457(7) -0.2754(5) 0.5357(3) 0.0390(15) Uani 1 1 d . . . . .
H00Z H 0.2000 -0.3499 0.5257 0.047 Uiso 1 1 calc R U . . .
C010 C 0.4105(7) -0.1364(6) 0.5202(3) 0.0435(16) Uani 1 1 d . . . . .
H010 H 0.4795 -0.1154 0.4998 0.052 Uiso 1 1 calc R U . . .
C011 C 0.6135(7) 0.5878(6) 0.7454(3) 0.0456(17) Uani 1 1 d . . . . .
H011 H 0.6809 0.5842 0.7786 0.055 Uiso 1 1 calc R U . . .
C012 C 0.3628(7) 0.3864(6) 0.4722(3) 0.0425(16) Uani 1 1 d . . . . .
H012 H 0.4425 0.3800 0.4563 0.051 Uiso 1 1 calc R U . . .
C013 C 0.0675(7) -0.0408(5) 0.6624(3) 0.0382(15) Uani 1 1 d . . . . .
C3 C 0.1400(6) 0.2725(6) 0.7663(3) 0.0384(15) Uani 1 1 d . . . . .
H3B H 0.1129 0.3470 0.7747 0.046 Uiso 0.719(15) 1 calc R U P A 2
H3A H 0.0998 0.2197 0.7880 0.046 Uiso 0.281(15) 1 calc R U P A 1
C015 C -0.1068(8) -0.0541(6) 0.7206(4) 0.0531(19) Uani 1 1 d . . . . .
H015 H -0.1315 -0.0464 0.7589 0.064 Uiso 1 1 calc R U . . .
F016 F 1.0087(10) 0.8489(8) 0.9190(3) 0.136(3) Uani 1 1 d . . . . .
C7 C -0.0501(7) 0.1367(6) 0.5685(3) 0.0455(16) Uani 1 1 d . . . . .
H7 H -0.1046 0.1086 0.5290 0.055 Uiso 1 1 calc R U . . .
F018 F 0.8632(8) 0.8922(7) 0.8492(4) 0.120(3) Uani 1 1 d . . . . .
C019 C 0.3000(8) 0.1396(6) 0.8854(4) 0.0549(19) Uani 1 1 d . . . . .
H019 H 0.2460 0.1177 0.8457 0.066 Uiso 1 1 calc R U . . .
C01A C 0.0280(7) -0.0260(6) 0.7177(3) 0.0450(16) Uani 1 1 d . . . . .
H01A H 0.0943 0.0038 0.7539 0.054 Uiso 1 1 calc R U . . .
C01B C 0.5419(8) -0.0651(6) 0.8084(3) 0.0509(18) Uani 1 1 d . . . . .
H01B H 0.6054 -0.0828 0.8385 0.061 Uiso 1 1 calc R U . . .
C01C C 0.2540(8) 0.4649(7) 0.9473(3) 0.0542(19) Uani 1 1 d . . . . .
H01C H 0.2675 0.4108 0.9697 0.065 Uiso 1 1 calc R U . . .
C6 C -0.1116(8) 0.1555(6) 0.6175(4) 0.0537(19) Uani 1 1 d . . . . .
H6 H -0.2079 0.1386 0.6101 0.064 Uiso 1 1 calc R U . . .
C01E C 0.1673(8) 0.5678(6) 0.7069(3) 0.0480(17) Uani 1 1 d . . . . .
H01E H 0.2600 0.6008 0.7218 0.058 Uiso 1 1 calc R U . . .
C01F C -0.1683(7) -0.1103(6) 0.6133(4) 0.0532(19) Uani 1 1 d . . . . .
H01F H -0.2356 -0.1400 0.5774 0.064 Uiso 1 1 calc R U . . .
F01G F 1.0699(7) 0.8508(6) 0.8329(4) 0.113(2) Uani 1 1 d . . . . .
C01H C 0.2947(8) 0.4564(6) 0.8928(3) 0.0478(17) Uani 1 1 d . . . . .
C01I C -0.1027(8) 0.4712(7) 0.6659(4) 0.054(2) Uani 1 1 d . . . . .
H01I H -0.1955 0.4377 0.6520 0.065 Uiso 1 1 calc R U . . .
C01J C 0.6168(7) 0.6839(6) 0.7252(4) 0.0481(18) Uani 1 1 d . . . . .
H01J H 0.6849 0.7466 0.7450 0.058 Uiso 1 1 calc R U . . .
C01K C -0.0320(7) -0.0840(6) 0.6099(3) 0.0445(16) Uani 1 1 d . . . . .
H01K H -0.0071 -0.0956 0.5716 0.053 Uiso 1 1 calc R U . . .
C01L C -0.2049(8) -0.0929(6) 0.6689(4) 0.055(2) Uani 1 1 d . . . . .
H01L H -0.2978 -0.1078 0.6712 0.066 Uiso 1 1 calc R U . . .
C01M C 0.4085(8) -0.1197(6) 0.7926(3) 0.0508(18) Uani 1 1 d . . . . .
H01M H 0.3807 -0.1751 0.8124 0.061 Uiso 1 1 calc R U . . .
C5 C -0.0428(7) 0.1974(6) 0.6766(4) 0.0479(17) Uani 1 1 d . . . . .
C01O C 0.5486(5) 0.3999(6) 0.8682(3) 0.082(2) Uani 1 1 d G U . . .
C01V C 0.6368(6) 0.3275(5) 0.8537(3) 0.093(2) Uani 1 1 d G U . . .
H01V H 0.6040 0.2500 0.8412 0.112 Uiso 1 1 calc R U . . .
C024 C 0.7729(6) 0.3682(7) 0.8575(3) 0.106(2) Uani 1 1 d G U . . .
H024 H 0.8331 0.3187 0.8476 0.128 Uiso 1 1 calc R U . . .
C023 C 0.8208(5) 0.4815(7) 0.8757(3) 0.110(3) Uani 1 1 d G U . . .
H023 H 0.9139 0.5094 0.8783 0.132 Uiso 1 1 calc R U . . .
C025 C 0.7327(7) 0.5540(6) 0.8902(3) 0.108(3) Uani 1 1 d G U . . .
H025 H 0.7654 0.6314 0.9027 0.130 Uiso 1 1 calc R U . . .
C01X C 0.5965(6) 0.5132(6) 0.8864(3) 0.094(2) Uani 1 1 d G U . . .
H01X H 0.5363 0.5628 0.8963 0.112 Uiso 1 1 calc R U . . .
C01P C 0.4548(10) 0.2739(7) 0.9646(4) 0.066(2) Uani 1 1 d . . . . .
H01P H 0.5079 0.3459 0.9795 0.080 Uiso 1 1 calc R U . . .
O01Q O 0.0897(8) 0.2171(9) 0.8031(4) 0.076(3) Uani 0.719(15) 1 d . . P A 2
H01Q H 0.0116 0.2302 0.8055 0.114 Uiso 0.719(15) 1 calc R U P A 2
C01R C -0.0671(8) 0.5689(7) 0.7090(4) 0.059(2) Uani 1 1 d . . . . .
H01R H -0.1356 0.6026 0.7252 0.070 Uiso 1 1 calc R U . . .
C01S C 0.2722(12) 0.5354(7) 0.8610(4) 0.075(3) Uani 1 1 d . . . . .
H01S H 0.2993 0.5296 0.8234 0.090 Uiso 1 1 calc R U . . .
C01T C 0.1930(9) 0.5535(9) 0.9688(4) 0.071(3) Uani 1 1 d . . . . .
H01T H 0.1661 0.5608 1.0066 0.086 Uiso 1 1 calc R U . . .
C01U C 0.3785(13) 0.0978(8) 0.9798(4) 0.082(3) Uani 1 1 d . . . . .
H01U H 0.3771 0.0481 1.0054 0.098 Uiso 1 1 calc R U . . .
C01W C 0.3021(11) 0.0657(8) 0.9222(5) 0.073(3) Uani 1 1 d . . . . .
H01W H 0.2507 -0.0070 0.9075 0.087 Uiso 1 1 calc R U . . .
C01Y C 0.2112(14) 0.6226(9) 0.8829(5) 0.100(4) Uani 1 1 d . . . . .
H01Y H 0.1971 0.6771 0.8608 0.120 Uiso 1 1 calc R U . . .
C01Z C 0.4566(12) 0.2005(8) 1.0006(4) 0.084(3) Uani 1 1 d . . . . .
H01Z H 0.5123 0.2210 1.0400 0.101 Uiso 1 1 calc R U . . .
C020 C 0.0677(9) 0.6194(7) 0.7293(4) 0.059(2) Uani 1 1 d . . . . .
H020 H 0.0916 0.6886 0.7583 0.071 Uiso 1 1 calc R U . . .
B021 B 0.9583(10) 0.8311(8) 0.8595(5) 0.059(2) Uani 1 1 d . . . . .
C022 C 0.1714(12) 0.6298(9) 0.9364(5) 0.094(4) Uani 1 1 d . . . . .
H022 H 0.1277 0.6892 0.9514 0.112 Uiso 1 1 calc R U . . .
C026 C 1.0645(14) 0.8810(11) 1.0531(7) 0.116(4) Uani 1 1 d . U . . .
H02A H 1.0511 0.9356 1.0884 0.139 Uiso 1 1 calc R U . . .
H02B H 1.0294 0.9049 1.0162 0.139 Uiso 1 1 calc R U . . .
O1 O 0.091(2) 0.3768(19) 0.7821(10) 0.073(9) Uani 0.281(15) 1 d . . P A 1
H1A H 0.0311 0.3696 0.8024 0.110 Uiso 0.281(15) 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 2.4872(13) . ?
Os1 P2 2.4438(16) . ?
Os1 P1 2.4362(16) . ?
Os1 C1 2.076(5) . ?
Os1 C4 2.044(6) . ?
Os1 C8 2.064(7) . ?
Os1 C9 2.209(6) . ?
P2 C009 1.849(6) . ?
P2 C00B 1.827(7) . ?
P2 C013 1.827(7) . ?
P1 C00C 1.834(6) . ?
P1 C00D 1.826(6) . ?
P1 C00M 1.830(6) . ?
P3 C2 1.795(6) . ?
P3 C00N 1.796(8) . ?
P3 C01H 1.795(7) . ?
P3 C01O 1.779(5) . ?
Cl2 C5 1.775(8) . ?
Cl07 C026 1.810(15) . ?
Cl00 C026 1.733(15) . ?
C009 C00H 1.392(9) . ?
C009 C00W 1.397(9) . ?
C1 H1 0.9500 . ?
C1 C2 1.343(9) . ?
C00B C00O 1.387(10) . ?
C00B C00U 1.404(9) . ?
C00C C00E 1.382(9) . ?
C00C C00T 1.400(9) . ?
C00D C00I 1.404(10) . ?
C00D C00J 1.369(10) . ?
C00E H00E 0.9500 . ?
C00E C00R 1.394(9) . ?
C00F H00F 0.9500 . ?
C00F C00Z 1.372(10) . ?
C00F C010 1.386(10) . ?
C2 C3 1.484(9) . ?
C00H H00H 0.9500 . ?
C00H C010 1.379(9) . ?
C00I H00I 0.9500 . ?
C00I C00X 1.387(10) . ?
C00J H00J 0.9500 . ?
C00J C011 1.387(9) . ?
F00K B021 1.349(12) . ?
C4 C3 1.552(10) . ?
C4 C5 1.384(10) . ?
C00M C00V 1.389(9) . ?
C00M C01E 1.392(10) . ?
C00N C019 1.370(11) . ?
C00N C01P 1.398(11) . ?
C00O H00O 0.9500 . ?
C00O C01M 1.366(10) . ?
C00P H00P 0.9500 . ?
C00P C00U 1.374(10) . ?
C00P C01B 1.398(11) . ?
C8 C9 1.338(11) . ?
C8 C7 1.362(10) . ?
C00R H00R 0.9500 . ?
C00R C00Y 1.384(10) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C00T H00T 0.9500 . ?
C00T C012 1.392(10) . ?
C00U H00U 0.9500 . ?
C00V H00V 0.9500 . ?
C00V C01I 1.393(10) . ?
C00W H00W 0.9500 . ?
C00W C00Z 1.386(9) . ?
C00X H00X 0.9500 . ?
C00X C01J 1.379(11) . ?
C00Y H00Y 0.9500 . ?
C00Y C012 1.366(10) . ?
C00Z H00Z 0.9500 . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C011 C01J 1.384(11) . ?
C012 H012 0.9500 . ?
C013 C01A 1.388(10) . ?
C013 C01K 1.395(10) . ?
C3 H3B 1.0000 . ?
C3 H3A 1.0000 . ?
C3 O01Q 1.334(11) . ?
C3 O1 1.46(2) . ?
C015 H015 0.9500 . ?
C015 C01A 1.384(10) . ?
C015 C01L 1.371(12) . ?
F016 B021 1.344(12) . ?
C7 H7 0.9500 . ?
C7 C6 1.378(11) . ?
F018 B021 1.332(11) . ?
C019 H019 0.9500 . ?
C019 C01W 1.389(12) . ?
C01A H01A 0.9500 . ?
C01B H01B 0.9500 . ?
C01B C01M 1.384(11) . ?
C01C H01C 0.9500 . ?
C01C C01H 1.381(11) . ?
C01C C01T 1.386(12) . ?
C6 H6 0.9500 . ?
C6 C5 1.380(11) . ?
C01E H01E 0.9500 . ?
C01E C020 1.386(10) . ?
C01F H01F 0.9500 . ?
C01F C01K 1.399(10) . ?
C01F C01L 1.381(11) . ?
F01G B021 1.398(13) . ?
C01H C01S 1.377(12) . ?
C01I H01I 0.9500 . ?
C01I C01R 1.368(12) . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01O C01V 1.3900 . ?
C01O C01X 1.3900 . ?
C01V H01V 0.9500 . ?
C01V C024 1.3900 . ?
C024 H024 0.9500 . ?
C024 C023 1.3900 . ?
C023 H023 0.9500 . ?
C023 C025 1.3900 . ?
C025 H025 0.9500 . ?
C025 C01X 1.3900 . ?
C01X H01X 0.9500 . ?
C01P H01P 0.9500 . ?
C01P C01Z 1.370(13) . ?
O01Q H01Q 0.8400 . ?
C01R H01R 0.9500 . ?
C01R C020 1.385(12) . ?
C01S H01S 0.9500 . ?
C01S C01Y 1.375(14) . ?
C01T H01T 0.9500 . ?
C01T C022 1.357(15) . ?
C01U H01U 0.9500 . ?
C01U C01W 1.369(14) . ?
C01U C01Z 1.364(15) . ?
C01W H01W 0.9500 . ?
C01Y H01Y 0.9500 . ?
C01Y C022 1.356(18) . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C022 H022 0.9500 . ?
C026 H02A 0.9900 . ?
C026 H02B 0.9900 . ?
O1 H1A 0.8400 . ?

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 93.22(5) . . ?
P1 Os1 Cl1 83.86(5) . . ?
P1 Os1 P2 176.44(5) . . ?
C1 Os1 Cl1 81.19(17) . . ?
C1 Os1 P2 90.71(17) . . ?
C1 Os1 P1 90.85(17) . . ?
C1 Os1 C9 163.1(3) . . ?
C4 Os1 Cl1 158.1(2) . . ?
C4 Os1 P2 90.36(18) . . ?
C4 Os1 P1 93.11(18) . . ?
C4 Os1 C1 77.2(3) . . ?
C4 Os1 C8 83.5(3) . . ?
C4 Os1 C9 119.6(3) . . ?
C8 Os1 Cl1 118.0(2) . . ?
C8 Os1 P2 91.1(2) . . ?
C8 Os1 P1 88.4(2) . . ?
C8 Os1 C1 160.6(3) . . ?
C8 Os1 C9 36.3(3) . . ?
C9 Os1 Cl1 82.15(19) . . ?
C9 Os1 P2 87.6(2) . . ?
C9 Os1 P1 90.0(2) . . ?
C009 P2 Os1 119.0(2) . . ?
C00B P2 Os1 118.8(2) . . ?
C00B P2 C009 98.5(3) . . ?
C00B P2 C013 106.7(3) . . ?
C013 P2 Os1 108.4(2) . . ?
C013 P2 C009 103.9(3) . . ?
C00C P1 Os1 111.94(19) . . ?
C00D P1 Os1 122.7(2) . . ?
C00D P1 C00C 99.5(3) . . ?
C00D P1 C00M 99.9(3) . . ?
C00M P1 Os1 114.8(2) . . ?
C00M P1 C00C 105.8(3) . . ?
C2 P3 C00N 114.2(3) . . ?
C01H P3 C2 107.8(3) . . ?
C01H P3 C00N 110.8(4) . . ?
C01O P3 C2 111.5(3) . . ?
C01O P3 C00N 105.1(3) . . ?
C01O P3 C01H 107.3(4) . . ?
C00H C009 P2 120.6(5) . . ?
C00H C009 C00W 118.5(6) . . ?
C00W C009 P2 120.7(5) . . ?
Os1 C1 H1 119.4 . . ?
C2 C1 Os1 121.3(4) . . ?
C2 C1 H1 119.4 . . ?
C00O C00B P2 122.4(5) . . ?
C00O C00B C00U 119.2(6) . . ?
C00U C00B P2 118.0(5) . . ?
C00E C00C P1 124.7(5) . . ?
C00E C00C C00T 118.4(6) . . ?
C00T C00C P1 116.8(5) . . ?
C00I C00D P1 116.1(5) . . ?
C00J C00D P1 125.0(5) . . ?
C00J C00D C00I 118.4(6) . . ?
C00C C00E H00E 119.6 . . ?
C00C C00E C00R 120.7(6) . . ?
C00R C00E H00E 119.6 . . ?
C00Z C00F H00F 120.2 . . ?
C00Z C00F C010 119.6(6) . . ?
C010 C00F H00F 120.2 . . ?
C1 C2 P3 124.4(5) . . ?
C1 C2 C3 115.2(5) . . ?
C3 C2 P3 120.4(5) . . ?
C009 C00H H00H 119.7 . . ?
C010 C00H C009 120.6(6) . . ?
C010 C00H H00H 119.7 . . ?
C00D C00I H00I 119.5 . . ?
C00X C00I C00D 120.9(7) . . ?
C00X C00I H00I 119.5 . . ?
C00D C00J H00J 119.6 . . ?
C00D C00J C011 120.9(6) . . ?
C011 C00J H00J 119.6 . . ?
C3 C4 Os1 117.3(4) . . ?
C5 C4 Os1 129.2(6) . . ?
C5 C4 C3 113.5(6) . . ?
C00V C00M P1 119.4(5) . . ?
C00V C00M C01E 118.5(6) . . ?
C01E C00M P1 121.9(5) . . ?
C019 C00N P3 122.6(6) . . ?
C019 C00N C01P 118.7(7) . . ?
C01P C00N P3 118.7(6) . . ?
C00B C00O H00O 119.9 . . ?
C01M C00O C00B 120.2(7) . . ?
C01M C00O H00O 119.9 . . ?
C00U C00P H00P 119.8 . . ?
C00U C00P C01B 120.5(7) . . ?
C01B C00P H00P 119.8 . . ?
C9 C8 Os1 77.8(4) . . ?
C9 C8 C7 145.8(7) . . ?
C7 C8 Os1 134.7(6) . . ?
C00E C00R H00R 120.1 . . ?
C00Y C00R C00E 119.9(6) . . ?
C00Y C00R H00R 120.1 . . ?
Os1 C9 H9A 117.1 . . ?
Os1 C9 H9B 117.1 . . ?
C8 C9 Os1 66.0(4) . . ?
C8 C9 H9A 117.1 . . ?
C8 C9 H9B 117.1 . . ?
H9A C9 H9B 114.2 . . ?
C00C C00T H00T 119.7 . . ?
C012 C00T C00C 120.7(6) . . ?
C012 C00T H00T 119.7 . . ?
C00B C00U H00U 120.0 . . ?
C00P C00U C00B 120.0(6) . . ?
C00P C00U H00U 120.0 . . ?
C00M C00V H00V 119.7 . . ?
C00M C00V C01I 120.5(7) . . ?
C01I C00V H00V 119.7 . . ?
C009 C00W H00W 119.9 . . ?
C00Z C00W C009 120.2(6) . . ?
C00Z C00W H00W 119.9 . . ?
C00I C00X H00X 120.2 . . ?
C01J C00X C00I 119.6(7) . . ?
C01J C00X H00X 120.2 . . ?
C00R C00Y H00Y 119.9 . . ?
C012 C00Y C00R 120.3(6) . . ?
C012 C00Y H00Y 119.9 . . ?
C00F C00Z C00W 120.6(6) . . ?
C00F C00Z H00Z 119.7 . . ?
C00W C00Z H00Z 119.7 . . ?
C00F C010 H010 119.8 . . ?
C00H C010 C00F 120.3(6) . . ?
C00H C010 H010 119.8 . . ?
C00J C011 H011 119.8 . . ?
C01J C011 C00J 120.4(7) . . ?
C01J C011 H011 119.8 . . ?
C00T C012 H012 120.0 . . ?
C00Y C012 C00T 120.0(6) . . ?
C00Y C012 H012 120.0 . . ?
C01A C013 P2 120.6(5) . . ?
C01A C013 C01K 118.4(6) . . ?
C01K C013 P2 120.3(5) . . ?
C2 C3 C4 108.8(5) . . ?
C2 C3 H3B 107.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 107.2 . . ?
C4 C3 H3A 109.2 . . ?
O01Q C3 C2 107.6(7) . . ?
O01Q C3 C4 118.4(7) . . ?
O01Q C3 H3B 107.2 . . ?
O1 C3 C2 110.5(10) . . ?
O1 C3 C4 109.8(10) . . ?
O1 C3 H3A 109.2 . . ?
C01A C015 H015 119.7 . . ?
C01L C015 H015 119.7 . . ?
C01L C015 C01A 120.6(7) . . ?
C8 C7 H7 119.5 . . ?
C8 C7 C6 120.9(7) . . ?
C6 C7 H7 119.5 . . ?
C00N C019 H019 119.8 . . ?
C00N C019 C01W 120.3(8) . . ?
C01W C019 H019 119.8 . . ?
C013 C01A H01A 119.6 . . ?
C015 C01A C013 120.8(7) . . ?
C015 C01A H01A 119.6 . . ?
C00P C01B H01B 120.6 . . ?
C01M C01B C00P 118.8(7) . . ?
C01M C01B H01B 120.6 . . ?
C01H C01C H01C 120.5 . . ?
C01H C01C C01T 119.1(9) . . ?
C01T C01C H01C 120.5 . . ?
C7 C6 H6 117.8 . . ?
C7 C6 C5 124.4(7) . . ?
C5 C6 H6 117.8 . . ?
C00M C01E H01E 119.4 . . ?
C020 C01E C00M 121.1(7) . . ?
C020 C01E H01E 119.4 . . ?
C01K C01F H01F 120.1 . . ?
C01L C01F H01F 120.1 . . ?
C01L C01F C01K 119.9(7) . . ?
C01C C01H P3 122.2(6) . . ?
C01S C01H P3 118.8(6) . . ?
C01S C01H C01C 119.0(7) . . ?
C00V C01I H01I 120.0 . . ?
C01R C01I C00V 119.9(8) . . ?
C01R C01I H01I 120.0 . . ?
C00X C01J C011 119.7(6) . . ?
C00X C01J H01J 120.2 . . ?
C011 C01J H01J 120.2 . . ?
C013 C01K C01F 120.4(7) . . ?
C013 C01K H01K 119.8 . . ?
C01F C01K H01K 119.8 . . ?
C015 C01L C01F 119.8(7) . . ?
C015 C01L H01L 120.1 . . ?
C01F C01L H01L 120.1 . . ?
C00O C01M C01B 121.3(7) . . ?
C00O C01M H01M 119.3 . . ?
C01B C01M H01M 119.3 . . ?
C4 C5 Cl2 120.7(6) . . ?
C6 C5 Cl2 112.3(6) . . ?
C6 C5 C4 126.9(7) . . ?
C01V C01O P3 118.6(4) . . ?
C01V C01O C01X 120.0 . . ?
C01X C01O P3 121.4(4) . . ?
C01O C01V H01V 120.0 . . ?
C01O C01V C024 120.0 . . ?
C024 C01V H01V 120.0 . . ?
C01V C024 H024 120.0 . . ?
C023 C024 C01V 120.0 . . ?
C023 C024 H024 120.0 . . ?
C024 C023 H023 120.0 . . ?
C024 C023 C025 120.0 . . ?
C025 C023 H023 120.0 . . ?
C023 C025 H025 120.0 . . ?
C01X C025 C023 120.0 . . ?
C01X C025 H025 120.0 . . ?
C01O C01X H01X 120.0 . . ?
C025 C01X C01O 120.0 . . ?
C025 C01X H01X 120.0 . . ?
C00N C01P H01P 119.7 . . ?
C01Z C01P C00N 120.6(8) . . ?
C01Z C01P H01P 119.7 . . ?
C3 O01Q H01Q 109.5 . . ?
C01I C01R H01R 119.6 . . ?
C01I C01R C020 120.8(7) . . ?
C020 C01R H01R 119.6 . . ?
C01H C01S H01S 119.4 . . ?
C01Y C01S C01H 121.2(10) . . ?
C01Y C01S H01S 119.4 . . ?
C01C C01T H01T 119.7 . . ?
C022 C01T C01C 120.6(9) . . ?
C022 C01T H01T 119.7 . . ?
C01W C01U H01U 119.7 . . ?
C01Z C01U H01U 119.7 . . ?
C01Z C01U C01W 120.6(9) . . ?
C019 C01W H01W 120.1 . . ?
C01U C01W C019 119.8(9) . . ?
C01U C01W H01W 120.1 . . ?
C01S C01Y H01Y 120.4 . . ?
C022 C01Y C01S 119.2(11) . . ?
C022 C01Y H01Y 120.4 . . ?
C01P C01Z H01Z 120.1 . . ?
C01U C01Z C01P 119.9(9) . . ?
C01U C01Z H01Z 120.1 . . ?
C01E C020 H020 120.4 . . ?
C01R C020 C01E 119.1(8) . . ?
C01R C020 H020 120.4 . . ?
F00K B021 F01G 105.5(8) . . ?
F016 B021 F00K 111.7(10) . . ?
F016 B021 F01G 106.1(9) . . ?
F018 B021 F00K 107.7(9) . . ?
F018 B021 F016 110.9(9) . . ?
F018 B021 F01G 114.8(9) . . ?
C01T C022 H022 119.5 . . ?
C01Y C022 C01T 120.9(9) . . ?
C01Y C022 H022 119.5 . . ?
Cl07 C026 H02A 109.3 . . ?
Cl07 C026 H02B 109.3 . . ?
Cl00 C026 Cl07 111.4(7) . . ?
Cl00 C026 H02A 109.3 . . ?
Cl00 C026 H02B 109.3 . . ?
H02A C026 H02B 108.0 . . ?
C3 O1 H1A 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 P2 C009 C00H 37.6(6) . . . . ?
Os1 P2 C009 C00W -147.3(5) . . . . ?
Os1 P2 C00B C00O 144.4(5) . . . . ?
Os1 P2 C00B C00U -42.9(5) . . . . ?
Os1 P2 C013 C01A -86.7(6) . . . . ?
Os1 P2 C013 C01K 83.6(6) . . . . ?
Os1 P1 C00C C00E 96.6(5) . . . . ?
Os1 P1 C00C C00T -80.2(5) . . . . ?
Os1 P1 C00D C00I 167.1(4) . . . . ?
Os1 P1 C00D C00J -20.1(7) . . . . ?
Os1 P1 C00M C00V -53.4(6) . . . . ?
Os1 P1 C00M C01E 121.7(6) . . . . ?
Os1 C1 C2 P3 -178.0(3) . . . . ?
Os1 C1 C2 C3 1.2(8) . . . . ?
Os1 C4 C3 C2 -4.5(7) . . . . ?
Os1 C4 C3 O01Q -127.7(7) . . . . ?
Os1 C4 C3 O1 116.6(11) . . . . ?
Os1 C4 C5 Cl2 -176.0(4) . . . . ?
Os1 C4 C5 C6 -0.7(12) . . . . ?
Os1 C8 C7 C6 5.8(13) . . . . ?
P2 C009 C00H C010 177.7(5) . . . . ?
P2 C009 C00W C00Z -178.4(5) . . . . ?
P2 C00B C00O C01M 174.4(6) . . . . ?
P2 C00B C00U C00P -173.9(5) . . . . ?
P2 C013 C01A C015 170.9(6) . . . . ?
P2 C013 C01K C01F -169.8(6) . . . . ?
P1 C00C C00E C00R -177.5(5) . . . . ?
P1 C00C C00T C012 177.0(5) . . . . ?
P1 C00D C00I C00X 170.9(6) . . . . ?
P1 C00D C00J C011 -170.7(5) . . . . ?
P1 C00M C00V C01I 174.3(6) . . . . ?
P1 C00M C01E C020 -175.8(6) . . . . ?
P3 C2 C3 C4 -178.7(4) . . . . ?
P3 C2 C3 O01Q -49.3(8) . . . . ?
P3 C2 C3 O1 60.7(13) . . . . ?
P3 C00N C019 C01W -178.6(7) . . . . ?
P3 C00N C01P C01Z 178.8(8) . . . . ?
P3 C01H C01S C01Y 179.9(9) . . . . ?
P3 C01O C01V C024 178.9(4) . . . . ?
P3 C01O C01X C025 -178.9(5) . . . . ?
C009 P2 C00B C00O -85.7(6) . . . . ?
C009 P2 C00B C00U 87.0(5) . . . . ?
C009 P2 C013 C01A 145.9(6) . . . . ?
C009 P2 C013 C01K -43.9(6) . . . . ?
C009 C00H C010 C00F 0.0(11) . . . . ?
C009 C00W C00Z C00F 1.6(10) . . . . ?
C1 C2 C3 C4 2.1(8) . . . . ?
C1 C2 C3 O01Q 131.4(7) . . . . ?
C1 C2 C3 O1 -118.6(12) . . . . ?
C00B P2 C009 C00H -92.1(6) . . . . ?
C00B P2 C009 C00W 82.9(6) . . . . ?
C00B P2 C013 C01A 42.4(6) . . . . ?
C00B P2 C013 C01K -147.4(6) . . . . ?
C00B C00O C01M C01B -1.6(11) . . . . ?
C00C P1 C00D C00I 43.2(5) . . . . ?
C00C P1 C00D C00J -144.0(6) . . . . ?
C00C P1 C00M C00V 70.5(6) . . . . ?
C00C P1 C00M C01E -114.4(6) . . . . ?
C00C C00E C00R C00Y 0.8(9) . . . . ?
C00C C00T C012 C00Y 0.6(11) . . . . ?
C00D P1 C00C C00E -132.3(5) . . . . ?
C00D P1 C00C C00T 51.0(5) . . . . ?
C00D P1 C00M C00V 173.4(6) . . . . ?
C00D P1 C00M C01E -11.5(7) . . . . ?
C00D C00I C00X C01J 1.0(11) . . . . ?
C00D C00J C011 C01J -0.1(10) . . . . ?
C00E C00C C00T C012 0.1(10) . . . . ?
C00E C00R C00Y C012 -0.1(10) . . . . ?
C2 P3 C00N C019 -10.1(8) . . . . ?
C2 P3 C00N C01P 170.9(7) . . . . ?
C2 P3 C01H C01C 131.6(6) . . . . ?
C2 P3 C01H C01S -47.7(8) . . . . ?
C2 P3 C01O C01V -69.8(4) . . . . ?
C2 P3 C01O C01X 109.1(4) . . . . ?
C00H C009 C00W C00Z -3.3(10) . . . . ?
C00I C00D C00J C011 1.9(10) . . . . ?
C00I C00X C01J C011 0.9(11) . . . . ?
C00J C00D C00I C00X -2.3(10) . . . . ?
C00J C011 C01J C00X -1.3(11) . . . . ?
C00M P1 C00C C00E -29.1(6) . . . . ?
C00M P1 C00C C00T 154.2(5) . . . . ?
C00M P1 C00D C00I -64.8(6) . . . . ?
C00M P1 C00D C00J 108.0(6) . . . . ?
C00M C00V C01I C01R 1.0(11) . . . . ?
C00M C01E C020 C01R 2.3(13) . . . . ?
C00N P3 C2 C1 -100.5(6) . . . . ?
C00N P3 C2 C3 80.3(6) . . . . ?
C00N P3 C01H C01C 6.0(8) . . . . ?
C00N P3 C01H C01S -173.3(7) . . . . ?
C00N P3 C01O C01V 54.5(4) . . . . ?
C00N P3 C01O C01X -126.6(4) . . . . ?
C00N C019 C01W C01U 0.9(15) . . . . ?
C00N C01P C01Z C01U -1.3(17) . . . . ?
C00O C00B C00U C00P -1.0(9) . . . . ?
C00P C01B C01M C00O 0.4(11) . . . . ?
C8 C7 C6 C5 0.8(13) . . . . ?
C00R C00Y C012 C00T -0.6(10) . . . . ?
C9 C8 C7 C6 163.8(11) . . . . ?
C00T C00C C00E C00R -0.8(9) . . . . ?
C00U C00B C00O C01M 1.8(10) . . . . ?
C00U C00P C01B C01M 0.5(11) . . . . ?
C00V C00M C01E C020 -0.8(11) . . . . ?
C00V C01I C01R C020 0.6(13) . . . . ?
C00W C009 C00H C010 2.5(10) . . . . ?
C00Z C00F C010 C00H -1.9(11) . . . . ?
C010 C00F C00Z C00W 1.0(10) . . . . ?
C013 P2 C009 C00H 158.3(6) . . . . ?
C013 P2 C009 C00W -26.7(6) . . . . ?
C013 P2 C00B C00O 21.7(6) . . . . ?
C013 P2 C00B C00U -165.7(5) . . . . ?
C3 C4 C5 Cl2 2.5(9) . . . . ?
C3 C4 C5 C6 177.8(7) . . . . ?
C7 C8 C9 Os1 -164.2(14) . . . . ?
C7 C6 C5 Cl2 172.4(7) . . . . ?
C7 C6 C5 C4 -3.2(14) . . . . ?
C019 C00N C01P C01Z -0.2(14) . . . . ?
C01A C013 C01K C01F 0.7(11) . . . . ?
C01A C015 C01L C01F 3.8(12) . . . . ?
C01B C00P C00U C00B -0.2(10) . . . . ?
C01C C01H C01S C01Y 0.5(15) . . . . ?
C01C C01T C022 C01Y -1.3(17) . . . . ?
C01E C00M C00V C01I -0.9(10) . . . . ?
C01H P3 C2 C1 136.0(6) . . . . ?
C01H P3 C2 C3 -43.2(6) . . . . ?
C01H P3 C00N C019 111.9(7) . . . . ?
C01H P3 C00N C01P -67.1(8) . . . . ?
C01H P3 C01O C01V 172.4(4) . . . . ?
C01H P3 C01O C01X -8.7(5) . . . . ?
C01H C01C C01T C022 1.1(14) . . . . ?
C01H C01S C01Y C022 -0.7(18) . . . . ?
C01I C01R C020 C01E -2.2(13) . . . . ?
C01K C013 C01A C015 0.5(11) . . . . ?
C01K C01F C01L C015 -2.6(12) . . . . ?
C01L C015 C01A C013 -2.7(12) . . . . ?
C01L C01F C01K C013 0.4(12) . . . . ?
C5 C4 C3 C2 176.8(6) . . . . ?
C5 C4 C3 O01Q 53.6(9) . . . . ?
C5 C4 C3 O1 -62.1(13) . . . . ?
C01O P3 C2 C1 18.5(7) . . . . ?
C01O P3 C2 C3 -160.7(5) . . . . ?
C01O P3 C00N C019 -132.6(7) . . . . ?
C01O P3 C00N C01P 48.4(8) . . . . ?
C01O P3 C01H C01C -108.2(7) . . . . ?
C01O P3 C01H C01S 72.5(8) . . . . ?
C01O C01V C024 C023 0.0 . . . . ?
C01V C01O C01X C025 0.0 . . . . ?
C01V C024 C023 C025 0.0 . . . . ?
C024 C023 C025 C01X 0.0 . . . . ?
C023 C025 C01X C01O 0.0 . . . . ?
C01X C01O C01V C024 0.0 . . . . ?
C01P C00N C019 C01W 0.4(13) . . . . ?
C01S C01Y C022 C01T 1.1(19) . . . . ?
C01T C01C C01H P3 180.0(6) . . . . ?
C01T C01C C01H C01S -0.7(12) . . . . ?
C01W C01U C01Z C01P 2.6(18) . . . . ?
C01Z C01U C01W C019 -2.5(17) . . . . ?

_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 0.425 0.258 0.133 18.3 0.0 ?
2 0.575 0.742 0.867 18.3 0.3 ?

_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 4.922
_oxdiff_exptl_absorpt_empirical_full_min 0.480

# start Validation Reply Form
_vrf_PLAT973_1                   
;
PROBLEM: Check Calcd Positive Resid. Density on       Os1       1.54 eA-3
RESPONSE: The alert was mainly due to there is q 
peak that not assigned to any element. 
Large residual density is probably due to 
the heavy atom Os1.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2190323'
loop_
_audit_author_name
_audit_author_address
'Jiawei Fei'
;Xiamen University
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-04-24 downloaded from the CCDC.
;
_audit_creation_date             2022-09-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H52 Cl2 Os P3, C H2 Cl2, B F4'
_chemical_formula_sum            'C64 H54 B Cl4 F4 Os P3'
_chemical_formula_weight         1334.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C64 H54 B Cl4 F4 Os P3'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   10.1361(2)
_cell_length_b                   12.2229(2)
_cell_length_c                   22.8285(4)
_cell_angle_alpha                93.9940(10)
_cell_angle_beta                 94.966(2)
_cell_angle_gamma                95.826(2)
_cell_volume                     2794.32(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    20513
_cell_measurement_temperature    99.98(13)
_cell_measurement_theta_max      73.8700
_cell_measurement_theta_min      3.6510
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.331
_exptl_absorpt_correction_T_max  0.822
_exptl_absorpt_correction_T_min  0.392
_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            brown
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1336
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -7 0 0.0822
-19 1 0 0.0746
2 1 -13 0.0010
0 8 1 0.0420
2 0 21 0.0198
6 -4 -1 0.0639

_exptl_crystal_size_max          0.149
_exptl_crystal_size_mid          0.139
_exptl_crystal_size_min          0.074
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
1.6575 -7.3473 -0.4762 0.3182 -0.0723 -0.8849
-19.4328 0.7874 -0.1653 -2.7840 0.9347 -0.4695
1.5430 1.3151 -13.0635 0.4181 0.7902 0.1347
-0.4273 7.6970 1.0917 -0.1557 -0.0253 0.9688
1.5489 0.1119 20.6082 -0.1118 -1.4280 0.1809
6.0025 -3.9956 -0.9918 0.9143 -0.2330 -0.3364

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            35168
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.594
_diffrn_reflns_theta_min         3.646
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.98(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_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    -24.00  36.00   0.50    1.00    --  -43.10  19.00 -60.00  120
  2  ω    -25.00  38.00   0.50    1.00    --  -43.10  19.00-150.00  126
  3  ω    -25.00  10.00   0.50    1.00    --  -43.10  19.00 -90.00   70
  4  ω    -44.00 -17.00   0.50    1.60    --  -90.25  45.00   0.00   54
  5  ω    -50.00 -18.00   0.50    1.60    --  -90.25  45.00 -30.00   64
  6  ω    -51.00 -26.00   0.50    1.60    --  -90.25  45.00-120.00   50
  7  ω    -50.00 -16.00   0.50    1.60    --  -90.25  45.00-150.00   68
  8  ω    -87.00 -60.00   0.50    1.60    --  -90.25 148.00 -79.00   54
  9  ω   -105.00 -66.00   0.50    1.00    --  -43.10 148.00 -79.00   78
 10  ω    -67.00 -41.00   0.50    1.60    --  -90.25 125.00  60.00   52
 11  ω    -77.00 -52.00   0.50    1.60    --  -90.25 124.00 115.00   50
 12  ω    -87.00 -25.00   0.50    1.00    --  -43.10 124.00 115.00  124
 13  ω    -71.00 -16.00   0.50    1.60    --  -90.25  61.00 150.00  110
 14  ω    -45.00 -13.00   0.50    1.60    --  -90.25  45.00  90.00   64
 15  ω    -98.00 -72.00   0.50    1.00    --  -43.10-124.00  36.00   52
 16  ω   -104.00 -73.00   0.50    1.00    --  -43.10-125.00  90.00   62
 17  ω   -135.00 -83.00   0.50    1.60    --  -90.25-124.00  36.00  104
 18  ω   -110.00 -60.00   0.50    1.00    --  -43.10-148.00-128.00  100
 19  ω     36.00 117.00   0.50    1.00    --   43.10  77.00 -60.00  162
 20  ω     77.00 130.00   0.50    1.60    --  107.76 148.00 -79.00  106
 21  ω     92.00 123.00   0.50    1.60    --  107.76 125.00 -30.00   62
 22  ω    145.00 171.00   0.50    1.60    --  107.76 125.00  30.00   52
 23  ω    125.00 172.00   0.50    1.60    --  107.76  61.00 120.00   94
 24  ω    111.00 136.00   0.50    1.60    --  107.76 124.00 115.00   50
 25  ω     93.00 153.00   0.50    1.60    --  107.76 125.00  60.00  120
 26  ω     84.00 110.00   0.50    1.60    --  107.76  30.00   0.00   52
 27  ω    118.00 165.00   0.50    1.60    --  107.76  30.00   0.00   94
 28  ω     95.00 121.00   0.50    1.60    --  107.76 125.00  30.00   52
 29  ω     92.00 117.00   0.50    1.60    --  107.76  61.00 120.00   50
 30  ω     35.00  66.00   0.50    1.60    --  107.76 -61.00  60.00   62
 31  ω     50.00 105.00   0.50    1.60    --  107.76 -77.00  60.00  110
 32  ω     70.00 110.00   0.50    1.60    --  107.76-124.00  36.00   80
 33  ω     78.00 103.00   0.50    1.60    --  107.76 -77.00 -30.00   50
 34  ω     70.00 104.00   0.50    1.60    --  107.76 -94.00 -60.00   68
 35  ω     88.00 133.00   0.50    1.60    --  107.76-148.00-128.00   90
 36  ω     69.00  94.00   0.50    1.00    --   43.10-148.00-128.00   50
 37  ω     44.00  73.00   0.50    1.60    --  107.76 -77.00 -30.00   58
 38  ω     56.00 116.00   0.50    1.60    --  107.76-125.00 -30.00  120
 39  ω     72.00 106.00   0.50    1.60    --  107.76 -94.00  60.00   68
 40  ω     41.00  66.00   0.50    1.60    --  107.76 -61.00 -30.00   50
 41  ω     33.00  69.00   0.50    1.60    --  107.76 -61.00   0.00   72
 42  ω     35.00 115.00   0.50    1.60    --  107.76-125.00  90.00  160
 43  ω     33.00 108.00   0.50    1.60    --  107.76 -94.00 150.00  150
 44  ω     31.00  69.00   0.50    1.00    --   43.10-124.00  36.00   76
 45  ω     34.00 110.50   0.50    1.60    --  107.76-125.00 -90.00  153
 46  ω     40.00  65.00   0.50    1.60    --  107.76 -61.00-180.00   50
 47  ω     36.00  71.00   0.50    1.60    --  107.76 -61.00-120.00   70
 48  ω     41.00 100.00   0.50    1.60    --  107.76-125.00-120.00  118
 49  ω     82.00 176.00   0.50    1.60    --  107.76  45.00 -90.00  188
 50  ω    107.00 133.00   0.50    1.60    --  107.76 125.00-150.00   52
 51  ω     93.00 127.00   0.50    1.60    --  107.76 125.00-180.00   68
 52  ω   -129.00-104.00   0.50    1.60    --  -90.25-148.00-128.00   50
 53  ω   -165.00 -85.00   0.50    1.60    --  -90.25 -45.00  90.00  160
;
_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      0.1429968000
_diffrn_orient_matrix_UB_12      -0.0100090000
_diffrn_orient_matrix_UB_13      -0.0161204000
_diffrn_orient_matrix_UB_21      -0.0474034000
_diffrn_orient_matrix_UB_22      0.0034117000
_diffrn_orient_matrix_UB_23      -0.0657482000
_diffrn_orient_matrix_UB_31      0.0292416000
_diffrn_orient_matrix_UB_32      0.1266516000
_diffrn_orient_matrix_UB_33      0.0058938000
_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                10425
_reflns_number_total             11065
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.079
_refine_diff_density_min         -2.037
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         11065
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.048
_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)+(0.0490P)²+15.4014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1097
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: F022(0.75) F026(0.25)
2.a Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C3(H3A,H3B), C025(H02A,H02B)
2.b Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00H(H00H), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N),
 C1(H1), C00P(H00P), C00R(H00R), C00S(H00S), C00T(H00T), C00V(H00V), C00W(H00W),
  C00X(H00X), C00Y(H00Y), C7(H7), C011(H011), C012(H012), C015(H015),
 C016(H016), C018(H018), C019(H019), C01A(H01A), C6(H6), C01C(H01C), C01D(H01D),
  C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01K(H01K), C01L(H01L),
 C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R),
 C01S(H01S), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y),
 C01Z(H01Z), C020(H020), C021(H021), C023(H023)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.65915(2) 0.61751(2) 0.35545(2) 0.01501(7) Uani 1 1 d . . . . .
Cl1 Cl 0.90600(10) 0.63793(8) 0.37439(5) 0.0207(2) Uani 1 1 d . . . . .
Cl2 Cl 0.20572(11) 0.60026(10) 0.27999(5) 0.0275(2) Uani 1 1 d . . . . .
P1 P 0.64592(11) 0.41709(8) 0.34604(5) 0.0164(2) Uani 1 1 d . . . . .
P2 P 0.68646(10) 0.81645(8) 0.36626(5) 0.0155(2) Uani 1 1 d . . . . .
P3 P 0.63340(12) 0.62492(10) 0.14818(5) 0.0235(2) Uani 1 1 d . . . . .
Cl07 Cl -0.2621(2) 1.21856(18) 0.03572(10) 0.0715(5) Uani 1 1 d . . . . .
Cl08 Cl -0.0013(3) 1.26749(19) -0.00803(11) 0.0866(7) Uani 1 1 d . . . . .
F009 F 0.2009(5) 1.0666(3) 0.07016(17) 0.0553(10) Uani 1 1 d . . . . .
C8 C 0.5487(5) 0.6118(3) 0.42630(19) 0.0201(9) Uani 1 1 d . . . . .
C4 C 0.4760(4) 0.6130(3) 0.30988(19) 0.0177(8) Uani 1 1 d . . . . .
C9 C 0.6755(4) 0.6127(4) 0.45184(19) 0.0188(8) Uani 1 1 d . . . . .
H9A H 0.7001 0.5437 0.4680 0.023 Uiso 1 1 calc R U . . .
H9B H 0.7149 0.6808 0.4757 0.023 Uiso 1 1 calc R U . . .
C00D C 0.7149(4) 0.8694(4) 0.44390(19) 0.0187(8) Uani 1 1 d . . . . .
C00E C 0.6149(4) 0.8893(4) 0.4801(2) 0.0207(9) Uani 1 1 d . . . . .
H00E H 0.5247 0.8823 0.4638 0.025 Uiso 1 1 calc R U . . .
F00F F 0.1337(6) 0.9609(5) 0.1409(2) 0.0867(17) Uani 1 1 d . . . . .
C00G C 0.8224(4) 0.8990(3) 0.33665(19) 0.0185(8) Uani 1 1 d . . . . .
C00H C 0.8466(5) 0.8782(4) 0.4693(2) 0.0219(9) Uani 1 1 d . . . . .
H00H H 0.9158 0.8637 0.4453 0.026 Uiso 1 1 calc R U . . .
C00I C 0.7187(5) 0.3458(4) 0.40759(19) 0.0198(9) Uani 1 1 d . . . . .
C00J C 0.4696(5) 0.3621(4) 0.3367(2) 0.0213(9) Uani 1 1 d . . . . .
C00K C 0.7772(5) 0.9280(4) 0.5647(2) 0.0234(9) Uani 1 1 d . . . . .
H00K H 0.7981 0.9475 0.6057 0.028 Uiso 1 1 calc R U . . .
C00L C 0.4172(4) 0.8550(3) 0.3516(2) 0.0202(9) Uani 1 1 d . . . . .
H00L H 0.4062 0.8124 0.3845 0.024 Uiso 1 1 calc R U . . .
C00M C 0.6605(5) 0.2439(4) 0.4216(2) 0.0215(9) Uani 1 1 d . . . . .
H00M H 0.5808 0.2102 0.3998 0.026 Uiso 1 1 calc R U . . .
C00N C 0.8368(4) 1.0125(4) 0.3528(2) 0.0223(9) Uani 1 1 d . . . . .
H00N H 0.7888 1.0404 0.3835 0.027 Uiso 1 1 calc R U . . .
C1 C 0.7056(5) 0.6209(3) 0.26773(19) 0.0204(9) Uani 1 1 d . . . . .
H1 H 0.7947 0.6170 0.2586 0.024 Uiso 1 1 calc R U . . .
C00P C 0.9793(5) 0.9320(4) 0.2642(2) 0.0275(10) Uani 1 1 d . . . . .
H00P H 1.0286 0.9043 0.2340 0.033 Uiso 1 1 calc R U . . .
C00Q C 0.7222(5) 0.3502(4) 0.28513(19) 0.0206(9) Uani 1 1 d . . . . .
C00R C 0.8774(5) 0.9078(4) 0.5290(2) 0.0238(9) Uani 1 1 d . . . . .
H00R H 0.9674 0.9143 0.5455 0.029 Uiso 1 1 calc R U . . .
C00S C 0.6462(5) 0.9194(4) 0.5400(2) 0.0224(9) Uani 1 1 d . . . . .
H00S H 0.5773 0.9342 0.5641 0.027 Uiso 1 1 calc R U . . .
C00T C 0.3986(5) 0.3496(4) 0.3861(2) 0.0230(9) Uani 1 1 d . . . . .
H00T H 0.4439 0.3594 0.4246 0.028 Uiso 1 1 calc R U . . .
C3 C 0.4730(4) 0.6279(4) 0.2447(2) 0.0219(9) Uani 1 1 d . . . . .
H3A H 0.4132 0.5671 0.2224 0.026 Uiso 1 1 calc R U . . .
H3B H 0.4374 0.6983 0.2365 0.026 Uiso 1 1 calc R U . . .
C00V C 0.7201(5) 0.1914(4) 0.4679(2) 0.0242(9) Uani 1 1 d . . . . .
H00V H 0.6799 0.1224 0.4778 0.029 Uiso 1 1 calc R U . . .
C00W C 0.8362(5) 0.2388(4) 0.4991(2) 0.0255(10) Uani 1 1 d . . . . .
H00W H 0.8739 0.2038 0.5315 0.031 Uiso 1 1 calc R U . . .
C00X C 0.8448(5) 0.3982(4) 0.2703(2) 0.0249(10) Uani 1 1 d . . . . .
H00X H 0.8846 0.4660 0.2900 0.030 Uiso 1 1 calc R U . . .
C00Y C 0.8401(5) 0.3915(4) 0.4380(2) 0.0237(9) Uani 1 1 d . . . . .
H00Y H 0.8826 0.4594 0.4275 0.028 Uiso 1 1 calc R U . . .
C7 C 0.4173(5) 0.6034(4) 0.4357(2) 0.0233(9) Uani 1 1 d . . . . .
H7 H 0.3922 0.6024 0.4749 0.028 Uiso 1 1 calc R U . . .
C5 C 0.3477(4) 0.6007(4) 0.3306(2) 0.0205(9) Uani 1 1 d . . . . .
C011 C 0.3077(5) 0.8937(4) 0.3227(2) 0.0261(10) Uani 1 1 d . . . . .
H011 H 0.2218 0.8769 0.3356 0.031 Uiso 1 1 calc R U . . .
C012 C 0.8958(5) 0.8592(4) 0.2930(2) 0.0233(9) Uani 1 1 d . . . . .
H012 H 0.8895 0.7821 0.2825 0.028 Uiso 1 1 calc R U . . .
C2 C 0.6096(5) 0.6284(4) 0.2250(2) 0.0224(9) Uani 1 1 d . . . . .
C014 C 0.5441(4) 0.8782(4) 0.3328(2) 0.0202(9) Uani 1 1 d . . . . .
C015 C 0.9898(5) 1.0440(4) 0.2798(2) 0.0266(10) Uani 1 1 d . . . . .
H015 H 1.0450 1.0935 0.2598 0.032 Uiso 1 1 calc R U . . .
C016 C 0.2606(5) 0.3227(4) 0.3785(2) 0.0279(10) Uani 1 1 d . . . . .
H016 H 0.2118 0.3145 0.4119 0.033 Uiso 1 1 calc R U . . .
C017 C 0.5244(5) 0.5102(4) 0.1125(2) 0.0282(10) Uani 1 1 d . . . . .
C018 C 0.6667(5) 0.2484(4) 0.2572(2) 0.0276(10) Uani 1 1 d . . . . .
H018 H 0.5854 0.2139 0.2684 0.033 Uiso 1 1 calc R U . . .
C019 C 0.8984(5) 0.3373(4) 0.4837(2) 0.0263(10) Uani 1 1 d . . . . .
H019 H 0.9809 0.3680 0.5042 0.032 Uiso 1 1 calc R U . . .
C01A C 0.1952(5) 0.3079(4) 0.3223(2) 0.0308(11) Uani 1 1 d . . . . .
H01A H 0.1013 0.2904 0.3174 0.037 Uiso 1 1 calc R U . . .
C6 C 0.3187(5) 0.5962(4) 0.3880(2) 0.0237(9) Uani 1 1 d . . . . .
H6 H 0.2279 0.5878 0.3958 0.028 Uiso 1 1 calc R U . . .
C01C C 0.9195(5) 1.0845(4) 0.3249(2) 0.0239(9) Uani 1 1 d . . . . .
H01C H 0.9285 1.1613 0.3364 0.029 Uiso 1 1 calc R U . . .
C01D C 0.2650(5) 0.3183(4) 0.2732(2) 0.0302(11) Uani 1 1 d . . . . .
H01D H 0.2196 0.3055 0.2348 0.036 Uiso 1 1 calc R U . . .
C01E C 0.5573(5) 0.9398(4) 0.2836(2) 0.0265(10) Uani 1 1 d . . . . .
H01E H 0.6422 0.9542 0.2694 0.032 Uiso 1 1 calc R U . . .
C01F C 0.4024(5) 0.3478(4) 0.2805(2) 0.0253(10) Uani 1 1 d . . . . .
H01F H 0.4502 0.3582 0.2469 0.030 Uiso 1 1 calc R U . . .
C01G C 0.9081(5) 0.3453(4) 0.2261(2) 0.0307(11) Uani 1 1 d . . . . .
H01G H 0.9914 0.3777 0.2160 0.037 Uiso 1 1 calc R U . . .
C01H C 0.8509(6) 0.2464(4) 0.1969(2) 0.0334(12) Uani 1 1 d . . . . .
H01H H 0.8934 0.2122 0.1662 0.040 Uiso 1 1 calc R U . . .
C01I C 0.8044(5) 0.6085(4) 0.1379(2) 0.0275(10) Uani 1 1 d . . . . .
C01J C 0.5917(6) 0.7498(4) 0.1171(2) 0.0296(11) Uani 1 1 d . . . . .
C01K C 0.7312(6) 0.1977(4) 0.2129(2) 0.0324(11) Uani 1 1 d . . . . .
H01K H 0.6927 0.1291 0.1935 0.039 Uiso 1 1 calc R U . . .
C01L C 0.3227(5) 0.9574(4) 0.2748(2) 0.0302(11) Uani 1 1 d . . . . .
H01L H 0.2477 0.9852 0.2555 0.036 Uiso 1 1 calc R U . . .
C01M C 0.9026(5) 0.6923(5) 0.1599(2) 0.0316(11) Uani 1 1 d . . . . .
H01M H 0.8784 0.7589 0.1779 0.038 Uiso 1 1 calc R U . . .
C01N C 0.8400(6) 0.5109(5) 0.1103(2) 0.0349(12) Uani 1 1 d . . . . .
H01N H 0.7734 0.4534 0.0947 0.042 Uiso 1 1 calc R U . . .
C01O C 0.4275(6) 0.5222(5) 0.0667(2) 0.0377(12) Uani 1 1 d . . . . .
H01O H 0.4231 0.5916 0.0506 0.045 Uiso 1 1 calc R U . . .
C01P C 0.5318(6) 0.4067(4) 0.1349(2) 0.0348(12) Uani 1 1 d . . . . .
H01P H 0.5978 0.3981 0.1660 0.042 Uiso 1 1 calc R U . . .
C01Q C 0.4477(5) 0.9798(4) 0.2557(2) 0.0310(11) Uani 1 1 d . . . . .
H01Q H 0.4583 1.0229 0.2230 0.037 Uiso 1 1 calc R U . . .
C01R C 1.0362(6) 0.6791(6) 0.1558(3) 0.0415(13) Uani 1 1 d . . . . .
H01R H 1.1033 0.7364 0.1710 0.050 Uiso 1 1 calc R U . . .
C01S C 0.6785(7) 0.8065(5) 0.0828(3) 0.0425(14) Uani 1 1 d . . . . .
H01S H 0.7600 0.7790 0.0749 0.051 Uiso 1 1 calc R U . . .
F01T F 0.2701(12) 1.1108(5) 0.1636(3) 0.167(5) Uani 1 1 d . . . . .
C01U C 0.9742(7) 0.4996(5) 0.1061(3) 0.0443(14) Uani 1 1 d . . . . .
H01U H 0.9993 0.4343 0.0871 0.053 Uiso 1 1 calc R U . . .
C01V C 1.0712(6) 0.5822(6) 0.1294(3) 0.0454(15) Uani 1 1 d . . . . .
H01V H 1.1625 0.5725 0.1273 0.055 Uiso 1 1 calc R U . . .
C01W C 0.4725(7) 0.7903(6) 0.1278(3) 0.0475(16) Uani 1 1 d . . . . .
H01W H 0.4127 0.7506 0.1504 0.057 Uiso 1 1 calc R U . . .
C01X C 0.3376(7) 0.4320(6) 0.0447(3) 0.0482(16) Uani 1 1 d . . . . .
H01X H 0.2704 0.4400 0.0141 0.058 Uiso 1 1 calc R U . . .
C01Y C 0.4431(7) 0.3172(5) 0.1120(3) 0.0472(15) Uani 1 1 d . . . . .
H01Y H 0.4491 0.2469 0.1267 0.057 Uiso 1 1 calc R U . . .
C01Z C 0.3460(7) 0.3304(6) 0.0675(3) 0.0521(17) Uani 1 1 d . . . . .
H01Z H 0.2843 0.2692 0.0524 0.063 Uiso 1 1 calc R U . . .
C020 C 0.5262(8) 0.9450(6) 0.0732(3) 0.0548(19) Uani 1 1 d . . . . .
H020 H 0.5051 1.0132 0.0594 0.066 Uiso 1 1 calc R U . . .
C021 C 0.4393(8) 0.8871(6) 0.1060(3) 0.056(2) Uani 1 1 d . . . . .
H021 H 0.3571 0.9139 0.1136 0.068 Uiso 1 1 calc R U . . .
F022 F 0.0953(9) 1.1570(9) 0.1363(4) 0.114(3) Uani 0.75 1 d . . P A 1
C023 C 0.6443(8) 0.9046(6) 0.0603(3) 0.0560(18) Uani 1 1 d . . . . .
H023 H 0.7018 0.9433 0.0361 0.067 Uiso 1 1 calc R U . . .
B024 B 0.1614(11) 1.0676(9) 0.1249(3) 0.065(3) Uani 1 1 d . . . . .
C025 C -0.1180(9) 1.1644(7) 0.0119(4) 0.071(2) Uani 1 1 d . . . . .
H02A H -0.0762 1.1254 0.0440 0.086 Uiso 1 1 calc R U . . .
H02B H -0.1446 1.1101 -0.0224 0.086 Uiso 1 1 calc R U . . .
F026 F 0.0020(17) 1.0618(17) 0.1112(8) 0.063(5) Uani 0.25 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 Cl1 2.4861(10) . ?
Os1 P1 2.4332(10) . ?
Os1 P2 2.4121(10) . ?
Os1 C8 2.046(4) . ?
Os1 C4 2.041(4) . ?
Os1 C9 2.198(4) . ?
Os1 C1 2.098(4) . ?
Cl2 C5 1.765(5) . ?
P1 C00I 1.844(4) . ?
P1 C00J 1.833(5) . ?
P1 C00Q 1.832(5) . ?
P2 C00D 1.832(4) . ?
P2 C00G 1.829(4) . ?
P2 C014 1.829(5) . ?
P3 C2 1.788(5) . ?
P3 C017 1.795(5) . ?
P3 C01I 1.799(5) . ?
P3 C01J 1.801(5) . ?
Cl07 C025 1.775(9) . ?
Cl08 C025 1.750(9) . ?
F009 B024 1.344(9) . ?
C8 C9 1.363(7) . ?
C8 C7 1.362(7) . ?
C4 C3 1.510(6) . ?
C4 C5 1.420(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C00D C00E 1.392(6) . ?
C00D C00H 1.399(6) . ?
C00E H00E 0.9500 . ?
C00E C00S 1.391(7) . ?
F00F B024 1.387(12) . ?
C00G C00N 1.400(6) . ?
C00G C012 1.384(6) . ?
C00H H00H 0.9500 . ?
C00H C00R 1.385(7) . ?
C00I C00M 1.393(6) . ?
C00I C00Y 1.403(6) . ?
C00J C00T 1.398(6) . ?
C00J C01F 1.391(7) . ?
C00K H00K 0.9500 . ?
C00K C00R 1.386(7) . ?
C00K C00S 1.388(7) . ?
C00L H00L 0.9500 . ?
C00L C011 1.384(7) . ?
C00L C014 1.399(6) . ?
C00M H00M 0.9500 . ?
C00M C00V 1.398(7) . ?
C00N H00N 0.9500 . ?
C00N C01C 1.380(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.332(7) . ?
C00P H00P 0.9500 . ?
C00P C012 1.402(7) . ?
C00P C015 1.382(7) . ?
C00Q C00X 1.398(7) . ?
C00Q C018 1.399(7) . ?
C00R H00R 0.9500 . ?
C00S H00S 0.9500 . ?
C00T H00T 0.9500 . ?
C00T C016 1.397(7) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C2 1.493(6) . ?
C00V H00V 0.9500 . ?
C00V C00W 1.374(7) . ?
C00W H00W 0.9500 . ?
C00W C019 1.384(7) . ?
C00X H00X 0.9500 . ?
C00X C01G 1.396(7) . ?
C00Y H00Y 0.9500 . ?
C00Y C019 1.393(7) . ?
C7 H7 0.9500 . ?
C7 C6 1.406(7) . ?
C5 C6 1.370(7) . ?
C011 H011 0.9500 . ?
C011 C01L 1.396(7) . ?
C012 H012 0.9500 . ?
C014 C01E 1.403(7) . ?
C015 H015 0.9500 . ?
C015 C01C 1.392(7) . ?
C016 H016 0.9500 . ?
C016 C01A 1.384(7) . ?
C017 C01O 1.397(8) . ?
C017 C01P 1.404(8) . ?
C018 H018 0.9500 . ?
C018 C01K 1.393(7) . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01A C01D 1.382(8) . ?
C6 H6 0.9500 . ?
C01C H01C 0.9500 . ?
C01D H01D 0.9500 . ?
C01D C01F 1.396(7) . ?
C01E H01E 0.9500 . ?
C01E C01Q 1.382(7) . ?
C01F H01F 0.9500 . ?
C01G H01G 0.9500 . ?
C01G C01H 1.387(8) . ?
C01H H01H 0.9500 . ?
C01H C01K 1.385(8) . ?
C01I C01M 1.389(7) . ?
C01I C01N 1.404(7) . ?
C01J C01S 1.391(8) . ?
C01J C01W 1.386(8) . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01L C01Q 1.383(8) . ?
C01M H01M 0.9500 . ?
C01M C01R 1.391(8) . ?
C01N H01N 0.9500 . ?
C01N C01U 1.392(8) . ?
C01O H01O 0.9500 . ?
C01O C01X 1.392(9) . ?
C01P H01P 0.9500 . ?
C01P C01Y 1.386(8) . ?
C01Q H01Q 0.9500 . ?
C01R H01R 0.9500 . ?
C01R C01V 1.384(9) . ?
C01S H01S 0.9500 . ?
C01S C023 1.401(9) . ?
F01T B024 1.387(13) . ?
C01U H01U 0.9500 . ?
C01U C01V 1.378(10) . ?
C01V H01V 0.9500 . ?
C01W H01W 0.9500 . ?
C01W C021 1.376(9) . ?
C01X H01X 0.9500 . ?
C01X C01Z 1.387(10) . ?
C01Y H01Y 0.9500 . ?
C01Y C01Z 1.380(10) . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C020 C021 1.378(11) . ?
C020 C023 1.388(11) . ?
C021 H021 0.9500 . ?
F022 B024 1.360(11) . ?
C023 H023 0.9500 . ?
B024 F026 1.61(2) . ?
C025 H02A 0.9900 . ?
C025 H02B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Os1 Cl1 92.70(3) . . ?
P2 Os1 Cl1 83.87(3) . . ?
P2 Os1 P1 176.56(4) . . ?
C8 Os1 Cl1 118.23(14) . . ?
C8 Os1 P1 90.37(12) . . ?
C8 Os1 P2 91.05(12) . . ?
C8 Os1 C9 37.24(17) . . ?
C8 Os1 C1 159.99(19) . . ?
C4 Os1 Cl1 158.83(12) . . ?
C4 Os1 P1 90.91(12) . . ?
C4 Os1 P2 92.38(12) . . ?
C4 Os1 C8 82.57(18) . . ?
C4 Os1 C9 119.80(16) . . ?
C4 Os1 C1 77.42(18) . . ?
C9 Os1 Cl1 81.13(12) . . ?
C9 Os1 P1 89.00(12) . . ?
C9 Os1 P2 90.23(12) . . ?
C1 Os1 Cl1 81.75(14) . . ?
C1 Os1 P1 89.68(12) . . ?
C1 Os1 P2 90.06(12) . . ?
C1 Os1 C9 162.75(18) . . ?
C00I P1 Os1 118.83(15) . . ?
C00J P1 Os1 108.23(15) . . ?
C00J P1 C00I 104.7(2) . . ?
C00Q P1 Os1 118.52(15) . . ?
C00Q P1 C00I 99.4(2) . . ?
C00Q P1 C00J 105.7(2) . . ?
C00D P2 Os1 111.80(14) . . ?
C00G P2 Os1 122.69(14) . . ?
C00G P2 C00D 99.5(2) . . ?
C00G P2 C014 99.8(2) . . ?
C014 P2 Os1 113.32(15) . . ?
C014 P2 C00D 107.9(2) . . ?
C2 P3 C017 106.8(2) . . ?
C2 P3 C01I 109.9(2) . . ?
C2 P3 C01J 111.4(2) . . ?
C017 P3 C01I 110.9(2) . . ?
C017 P3 C01J 109.2(2) . . ?
C01I P3 C01J 108.6(2) . . ?
C9 C8 Os1 77.4(3) . . ?
C7 C8 Os1 137.2(4) . . ?
C7 C8 C9 145.2(4) . . ?
C3 C4 Os1 116.9(3) . . ?
C5 C4 Os1 129.5(3) . . ?
C5 C4 C3 113.6(4) . . ?
Os1 C9 H9A 117.2 . . ?
Os1 C9 H9B 117.2 . . ?
C8 C9 Os1 65.3(3) . . ?
C8 C9 H9A 117.2 . . ?
C8 C9 H9B 117.2 . . ?
H9A C9 H9B 114.2 . . ?
C00E C00D P2 124.8(3) . . ?
C00E C00D C00H 118.5(4) . . ?
C00H C00D P2 116.2(3) . . ?
C00D C00E H00E 119.8 . . ?
C00S C00E C00D 120.4(4) . . ?
C00S C00E H00E 119.8 . . ?
C00N C00G P2 116.6(3) . . ?
C012 C00G P2 123.8(3) . . ?
C012 C00G C00N 118.8(4) . . ?
C00D C00H H00H 119.6 . . ?
C00R C00H C00D 120.9(4) . . ?
C00R C00H H00H 119.6 . . ?
C00M C00I P1 121.3(3) . . ?
C00M C00I C00Y 119.5(4) . . ?
C00Y C00I P1 119.1(3) . . ?
C00T C00J P1 120.0(4) . . ?
C01F C00J P1 119.5(4) . . ?
C01F C00J C00T 119.8(4) . . ?
C00R C00K H00K 120.3 . . ?
C00R C00K C00S 119.4(4) . . ?
C00S C00K H00K 120.3 . . ?
C011 C00L H00L 119.8 . . ?
C011 C00L C014 120.4(4) . . ?
C014 C00L H00L 119.8 . . ?
C00I C00M H00M 120.2 . . ?
C00I C00M C00V 119.6(4) . . ?
C00V C00M H00M 120.2 . . ?
C00G C00N H00N 119.4 . . ?
C01C C00N C00G 121.1(4) . . ?
C01C C00N H00N 119.4 . . ?
Os1 C1 H1 120.1 . . ?
C2 C1 Os1 119.8(4) . . ?
C2 C1 H1 120.1 . . ?
C012 C00P H00P 120.0 . . ?
C015 C00P H00P 120.0 . . ?
C015 C00P C012 120.0(5) . . ?
C00X C00Q P1 118.4(4) . . ?
C00X C00Q C018 119.8(4) . . ?
C018 C00Q P1 121.5(4) . . ?
C00H C00R C00K 120.2(4) . . ?
C00H C00R H00R 119.9 . . ?
C00K C00R H00R 119.9 . . ?
C00E C00S H00S 119.7 . . ?
C00K C00S C00E 120.5(4) . . ?
C00K C00S H00S 119.7 . . ?
C00J C00T H00T 120.2 . . ?
C016 C00T C00J 119.7(5) . . ?
C016 C00T H00T 120.2 . . ?
C4 C3 H3A 109.6 . . ?
C4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C2 C3 C4 110.4(4) . . ?
C2 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
C00M C00V H00V 119.7 . . ?
C00W C00V C00M 120.6(4) . . ?
C00W C00V H00V 119.7 . . ?
C00V C00W H00W 119.9 . . ?
C00V C00W C019 120.3(4) . . ?
C019 C00W H00W 119.9 . . ?
C00Q C00X H00X 120.3 . . ?
C01G C00X C00Q 119.3(5) . . ?
C01G C00X H00X 120.3 . . ?
C00I C00Y H00Y 120.1 . . ?
C019 C00Y C00I 119.9(4) . . ?
C019 C00Y H00Y 120.1 . . ?
C8 C7 H7 119.8 . . ?
C8 C7 C6 120.4(4) . . ?
C6 C7 H7 119.8 . . ?
C4 C5 Cl2 119.1(4) . . ?
C6 C5 Cl2 113.6(3) . . ?
C6 C5 C4 127.1(4) . . ?
C00L C011 H011 119.8 . . ?
C00L C011 C01L 120.3(5) . . ?
C01L C011 H011 119.8 . . ?
C00G C012 C00P 120.3(4) . . ?
C00G C012 H012 119.8 . . ?
C00P C012 H012 119.8 . . ?
C1 C2 P3 124.5(4) . . ?
C1 C2 C3 114.9(4) . . ?
C3 C2 P3 120.3(3) . . ?
C00L C014 P2 120.5(3) . . ?
C00L C014 C01E 118.6(4) . . ?
C01E C014 P2 120.5(4) . . ?
C00P C015 H015 120.0 . . ?
C00P C015 C01C 120.0(4) . . ?
C01C C015 H015 120.0 . . ?
C00T C016 H016 120.1 . . ?
C01A C016 C00T 119.9(5) . . ?
C01A C016 H016 120.1 . . ?
C01O C017 P3 122.4(4) . . ?
C01O C017 C01P 119.7(5) . . ?
C01P C017 P3 117.7(4) . . ?
C00Q C018 H018 120.1 . . ?
C01K C018 C00Q 119.7(5) . . ?
C01K C018 H018 120.1 . . ?
C00W C019 C00Y 120.0(5) . . ?
C00W C019 H019 120.0 . . ?
C00Y C019 H019 120.0 . . ?
C016 C01A H01A 119.6 . . ?
C01D C01A C016 120.8(5) . . ?
C01D C01A H01A 119.6 . . ?
C7 C6 H6 118.5 . . ?
C5 C6 C7 123.0(4) . . ?
C5 C6 H6 118.5 . . ?
C00N C01C C015 119.7(4) . . ?
C00N C01C H01C 120.2 . . ?
C015 C01C H01C 120.2 . . ?
C01A C01D H01D 120.2 . . ?
C01A C01D C01F 119.6(5) . . ?
C01F C01D H01D 120.2 . . ?
C014 C01E H01E 119.7 . . ?
C01Q C01E C014 120.5(5) . . ?
C01Q C01E H01E 119.7 . . ?
C00J C01F C01D 120.2(5) . . ?
C00J C01F H01F 119.9 . . ?
C01D C01F H01F 119.9 . . ?
C00X C01G H01G 119.6 . . ?
C01H C01G C00X 120.9(5) . . ?
C01H C01G H01G 119.6 . . ?
C01G C01H H01H 120.2 . . ?
C01K C01H C01G 119.5(5) . . ?
C01K C01H H01H 120.2 . . ?
C01M C01I P3 118.9(4) . . ?
C01M C01I C01N 119.9(5) . . ?
C01N C01I P3 121.1(4) . . ?
C01S C01J P3 120.7(4) . . ?
C01W C01J P3 119.7(4) . . ?
C01W C01J C01S 119.6(5) . . ?
C018 C01K H01K 119.7 . . ?
C01H C01K C018 120.6(5) . . ?
C01H C01K H01K 119.7 . . ?
C011 C01L H01L 120.3 . . ?
C01Q C01L C011 119.5(5) . . ?
C01Q C01L H01L 120.3 . . ?
C01I C01M H01M 119.9 . . ?
C01I C01M C01R 120.1(5) . . ?
C01R C01M H01M 119.9 . . ?
C01I C01N H01N 120.5 . . ?
C01U C01N C01I 119.0(6) . . ?
C01U C01N H01N 120.5 . . ?
C017 C01O H01O 120.2 . . ?
C01X C01O C017 119.5(6) . . ?
C01X C01O H01O 120.2 . . ?
C017 C01P H01P 119.9 . . ?
C01Y C01P C017 120.1(6) . . ?
C01Y C01P H01P 119.9 . . ?
C01E C01Q C01L 120.5(5) . . ?
C01E C01Q H01Q 119.7 . . ?
C01L C01Q H01Q 119.7 . . ?
C01M C01R H01R 120.1 . . ?
C01V C01R C01M 119.8(6) . . ?
C01V C01R H01R 120.1 . . ?
C01J C01S H01S 120.4 . . ?
C01J C01S C023 119.3(6) . . ?
C023 C01S H01S 120.4 . . ?
C01N C01U H01U 119.7 . . ?
C01V C01U C01N 120.7(6) . . ?
C01V C01U H01U 119.7 . . ?
C01R C01V H01V 119.8 . . ?
C01U C01V C01R 120.4(6) . . ?
C01U C01V H01V 119.8 . . ?
C01J C01W H01W 119.4 . . ?
C021 C01W C01J 121.2(6) . . ?
C021 C01W H01W 119.4 . . ?
C01O C01X H01X 120.0 . . ?
C01Z C01X C01O 120.1(6) . . ?
C01Z C01X H01X 120.0 . . ?
C01P C01Y H01Y 120.1 . . ?
C01Z C01Y C01P 119.8(6) . . ?
C01Z C01Y H01Y 120.1 . . ?
C01X C01Z H01Z 119.6 . . ?
C01Y C01Z C01X 120.8(6) . . ?
C01Y C01Z H01Z 119.6 . . ?
C021 C020 H020 119.7 . . ?
C021 C020 C023 120.6(6) . . ?
C023 C020 H020 119.7 . . ?
C01W C021 C020 119.4(6) . . ?
C01W C021 H021 120.3 . . ?
C020 C021 H021 120.3 . . ?
C01S C023 H023 120.1 . . ?
C020 C023 C01S 119.8(7) . . ?
C020 C023 H023 120.1 . . ?
F009 B024 F00F 110.6(7) . . ?
F009 B024 F01T 107.3(9) . . ?
F009 B024 F022 110.5(7) . . ?
F009 B024 F026 101.3(8) . . ?
F00F B024 F026 84.0(10) . . ?
F01T B024 F00F 103.8(6) . . ?
F01T B024 F026 145.0(10) . . ?
F022 B024 F00F 128.5(10) . . ?
F022 B024 F01T 92.1(8) . . ?
Cl07 C025 H02A 109.2 . . ?
Cl07 C025 H02B 109.2 . . ?
Cl08 C025 Cl07 112.2(5) . . ?
Cl08 C025 H02A 109.2 . . ?
Cl08 C025 H02B 109.2 . . ?
H02A C025 H02B 107.9 . . ?

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 C00I C00M 145.0(3) . . . . ?
Os1 P1 C00I C00Y -39.6(4) . . . . ?
Os1 P1 C00J C00T -84.0(4) . . . . ?
Os1 P1 C00J C01F 87.0(4) . . . . ?
Os1 P1 C00Q C00X 39.9(4) . . . . ?
Os1 P1 C00Q C018 -145.8(3) . . . . ?
Os1 P2 C00D C00E -87.8(4) . . . . ?
Os1 P2 C00D C00H 84.8(3) . . . . ?
Os1 P2 C00G C00N -171.7(3) . . . . ?
Os1 P2 C00G C012 18.8(5) . . . . ?
Os1 P2 C014 C00L 59.8(4) . . . . ?
Os1 P2 C014 C01E -113.3(4) . . . . ?
Os1 C8 C7 C6 -0.2(7) . . . . ?
Os1 C4 C3 C2 7.6(5) . . . . ?
Os1 C4 C5 Cl2 179.8(2) . . . . ?
Os1 C4 C5 C6 4.6(7) . . . . ?
Os1 C1 C2 P3 -176.6(2) . . . . ?
Os1 C1 C2 C3 -3.0(5) . . . . ?
Cl2 C5 C6 C7 -175.4(4) . . . . ?
P1 C00I C00M C00V 178.8(3) . . . . ?
P1 C00I C00Y C019 -178.3(4) . . . . ?
P1 C00J C00T C016 171.0(4) . . . . ?
P1 C00J C01F C01D -172.6(4) . . . . ?
P1 C00Q C00X C01G 176.6(4) . . . . ?
P1 C00Q C018 C01K -176.9(4) . . . . ?
P2 C00D C00E C00S 173.8(3) . . . . ?
P2 C00D C00H C00R -174.1(4) . . . . ?
P2 C00G C00N C01C -168.2(4) . . . . ?
P2 C00G C012 C00P 167.0(4) . . . . ?
P2 C014 C01E C01Q 175.3(4) . . . . ?
P3 C017 C01O C01X -173.7(5) . . . . ?
P3 C017 C01P C01Y 175.1(5) . . . . ?
P3 C01I C01M C01R 176.1(4) . . . . ?
P3 C01I C01N C01U -176.6(4) . . . . ?
P3 C01J C01S C023 -178.8(5) . . . . ?
P3 C01J C01W C021 178.2(5) . . . . ?
C8 C7 C6 C5 -2.2(7) . . . . ?
C4 C3 C2 P3 171.1(3) . . . . ?
C4 C3 C2 C1 -2.8(6) . . . . ?
C4 C5 C6 C7 -0.1(7) . . . . ?
C9 C8 C7 C6 -173.0(6) . . . . ?
C00D P2 C00G C00N -48.0(4) . . . . ?
C00D P2 C00G C012 142.5(4) . . . . ?
C00D P2 C014 C00L -64.6(4) . . . . ?
C00D P2 C014 C01E 122.4(4) . . . . ?
C00D C00E C00S C00K -1.2(7) . . . . ?
C00D C00H C00R C00K 0.7(7) . . . . ?
C00E C00D C00H C00R -1.0(7) . . . . ?
C00G P2 C00D C00E 141.1(4) . . . . ?
C00G P2 C00D C00H -46.3(4) . . . . ?
C00G P2 C014 C00L -168.0(4) . . . . ?
C00G P2 C014 C01E 18.9(4) . . . . ?
C00G C00N C01C C015 0.2(7) . . . . ?
C00H C00D C00E C00S 1.2(6) . . . . ?
C00I P1 C00J C00T 43.7(4) . . . . ?
C00I P1 C00J C01F -145.3(4) . . . . ?
C00I P1 C00Q C00X -90.3(4) . . . . ?
C00I P1 C00Q C018 83.9(4) . . . . ?
C00I C00M C00V C00W -0.8(7) . . . . ?
C00I C00Y C019 C00W -0.3(7) . . . . ?
C00J P1 C00I C00M 24.1(4) . . . . ?
C00J P1 C00I C00Y -160.5(4) . . . . ?
C00J P1 C00Q C00X 161.4(4) . . . . ?
C00J P1 C00Q C018 -24.3(4) . . . . ?
C00J C00T C016 C01A 0.4(7) . . . . ?
C00L C011 C01L C01Q 1.3(8) . . . . ?
C00L C014 C01E C01Q 2.1(7) . . . . ?
C00M C00I C00Y C019 -2.9(7) . . . . ?
C00M C00V C00W C019 -2.5(7) . . . . ?
C00N C00G C012 C00P -2.2(7) . . . . ?
C00P C015 C01C C00N -1.7(7) . . . . ?
C00Q P1 C00I C00M -85.0(4) . . . . ?
C00Q P1 C00I C00Y 90.4(4) . . . . ?
C00Q P1 C00J C00T 148.1(4) . . . . ?
C00Q P1 C00J C01F -41.0(4) . . . . ?
C00Q C00X C01G C01H 0.1(7) . . . . ?
C00Q C018 C01K C01H 1.0(8) . . . . ?
C00R C00K C00S C00E 0.9(7) . . . . ?
C00S C00K C00R C00H -0.7(7) . . . . ?
C00T C00J C01F C01D -1.6(7) . . . . ?
C00T C016 C01A C01D 0.7(7) . . . . ?
C3 C4 C5 Cl2 1.7(5) . . . . ?
C3 C4 C5 C6 -173.4(4) . . . . ?
C00V C00W C019 C00Y 3.0(7) . . . . ?
C00X C00Q C018 C01K -2.8(7) . . . . ?
C00X C01G C01H C01K -1.8(8) . . . . ?
C00Y C00I C00M C00V 3.4(7) . . . . ?
C7 C8 C9 Os1 175.0(8) . . . . ?
C5 C4 C3 C2 -174.1(4) . . . . ?
C011 C00L C014 P2 -174.2(3) . . . . ?
C011 C00L C014 C01E -1.0(7) . . . . ?
C011 C01L C01Q C01E -0.1(8) . . . . ?
C012 C00G C00N C01C 1.8(7) . . . . ?
C012 C00P C015 C01C 1.2(8) . . . . ?
C2 P3 C017 C01O 122.4(5) . . . . ?
C2 P3 C017 C01P -52.8(5) . . . . ?
C2 P3 C01I C01M -65.4(5) . . . . ?
C2 P3 C01I C01N 111.8(4) . . . . ?
C2 P3 C01J C01S 131.1(5) . . . . ?
C2 P3 C01J C01W -48.4(6) . . . . ?
C014 P2 C00D C00E 37.4(4) . . . . ?
C014 P2 C00D C00H -149.9(3) . . . . ?
C014 P2 C00G C00N 62.2(4) . . . . ?
C014 P2 C00G C012 -107.3(4) . . . . ?
C014 C00L C011 C01L -0.7(7) . . . . ?
C014 C01E C01Q C01L -1.6(8) . . . . ?
C015 C00P C012 C00G 0.8(7) . . . . ?
C016 C01A C01D C01F -2.2(7) . . . . ?
C017 P3 C2 C1 121.0(4) . . . . ?
C017 P3 C2 C3 -52.3(4) . . . . ?
C017 P3 C01I C01M 176.7(4) . . . . ?
C017 P3 C01I C01N -6.1(5) . . . . ?
C017 P3 C01J C01S -111.2(5) . . . . ?
C017 P3 C01J C01W 69.3(5) . . . . ?
C017 C01O C01X C01Z -1.3(9) . . . . ?
C017 C01P C01Y C01Z -1.1(9) . . . . ?
C018 C00Q C00X C01G 2.2(7) . . . . ?
C01A C01D C01F C00J 2.7(7) . . . . ?
C01F C00J C00T C016 0.1(7) . . . . ?
C01G C01H C01K C018 1.3(8) . . . . ?
C01I P3 C2 C1 0.6(5) . . . . ?
C01I P3 C2 C3 -172.7(4) . . . . ?
C01I P3 C017 C01O -117.9(5) . . . . ?
C01I P3 C017 C01P 66.9(5) . . . . ?
C01I P3 C01J C01S 9.9(5) . . . . ?
C01I P3 C01J C01W -169.6(5) . . . . ?
C01I C01M C01R C01V 0.2(9) . . . . ?
C01I C01N C01U C01V 0.9(9) . . . . ?
C01J P3 C2 C1 -119.9(4) . . . . ?
C01J P3 C2 C3 66.9(4) . . . . ?
C01J P3 C017 C01O 1.9(5) . . . . ?
C01J P3 C017 C01P -173.3(4) . . . . ?
C01J P3 C01I C01M 56.6(5) . . . . ?
C01J P3 C01I C01N -126.1(4) . . . . ?
C01J C01S C023 C020 1.3(11) . . . . ?
C01J C01W C021 C020 -0.1(11) . . . . ?
C01M C01I C01N C01U 0.6(8) . . . . ?
C01M C01R C01V C01U 1.3(9) . . . . ?
C01N C01I C01M C01R -1.2(8) . . . . ?
C01N C01U C01V C01R -1.9(10) . . . . ?
C01O C017 C01P C01Y -0.3(8) . . . . ?
C01O C01X C01Z C01Y -0.1(10) . . . . ?
C01P C017 C01O C01X 1.4(8) . . . . ?
C01P C01Y C01Z C01X 1.2(10) . . . . ?
C01S C01J C01W C021 -1.4(10) . . . . ?
C01W C01J C01S C023 0.8(9) . . . . ?
C021 C020 C023 C01S -2.8(12) . . . . ?
C023 C020 C021 C01W 2.2(11) . . . . ?


_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 3.893
_oxdiff_exptl_absorpt_empirical_full_min 0.428

# start Validation Reply Form
_vrf_PLAT971_3                   
;
PROBLEM: Check Calcd Residual Density 0.97A From Os1 3.16 eA-3
         Check Calcd Residual Density 0.94A From Os1 2.86 eA-3  
RESPONSE: The alert was mainly due to there is q peak
that not assigned to any element. 
Absorption issues attributed to heavy atom Os  radiation.
;

# end Validation Reply Form
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2190338'
loop_
_audit_author_name
_audit_author_address
'Jiawei Fei'
;Xiamen University
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-04-24 downloaded from the CCDC.
;
_audit_creation_date             2022-09-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C81 H64 Cl2 Os P4, 2(Cl), 2(C H2 Cl2), 2(H2 O)'
_chemical_formula_sum            'C83 H72 Cl8 O2 Os P4'
_chemical_formula_weight         1699.08
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C83 H72 Cl8 O2 Os1 P4'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   12.70740(10)
_cell_length_b                   15.86420(10)
_cell_length_c                   19.70260(10)
_cell_angle_alpha                108.2270(10)
_cell_angle_beta                 96.2310(10)
_cell_angle_gamma                98.1170(10)
_cell_volume                     3685.24(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    76084
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      31.3910
_cell_measurement_theta_min      1.9930
_shelx_estimated_absorpt_T_max   0.846
_shelx_estimated_absorpt_T_min   0.738
_exptl_absorpt_coefficient_mu    2.156
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88403
_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            brown
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.878
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            116361
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.878
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.217
_diffrn_reflns_theta_min         1.935
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     20.00  80.00   0.50   15.00    --   13.19-144.00  69.00  120
  2  ω     11.00  70.00   0.50   15.00    --   13.19-127.00-121.00  118
  3  ω    -55.00   2.00   0.50   15.00    --  -11.78 -19.00 150.00  114
  4  ω    -43.00 -18.00   0.50   15.00    --  -11.78  77.00  90.00   50
  5  ω    -85.00  16.00   0.50   15.00    --  -11.78 -77.00   0.00  202
  6  ω    -13.00  30.00   0.50   15.00    --  -11.78 -99.00-120.00   86
  7  ω    -93.00 -68.00   0.50   15.00    --  -11.78 -19.00 150.00   50
  8  ω      5.00  63.00   0.50   15.00    --  -11.78  77.00  90.00  116
  9  ω    -85.00  19.00   0.50   15.00    --  -11.78 -77.00-180.00  208
 10  ω    -39.00 -13.00   0.50   15.00    --  -11.78  77.00-180.00   52
 11  ω      7.00  63.00   0.50   15.00    --  -11.78  77.00-180.00  112
 12  ω     14.00  55.00   0.50   15.00    --   13.19 -99.00-180.00   82
 13  ω    -26.00   5.00   0.50   15.00    --   13.19 -99.00-180.00   62
 14  ω    -68.00  -6.00   0.50   15.00    --   13.19 -19.00  90.00  124
 15  ω    -10.00  88.00   0.50   15.00    --   13.19  57.00  60.00  196
 16  ω      0.00  62.00   0.50   15.00    --   13.19-112.00  23.01  124
 17  ω     33.00  87.00   0.50   15.00    --   13.19  57.00-180.00  108
 18  ω    -11.00  30.00   0.50   15.00    --   13.19  57.00-180.00   82
 19  ω     -4.00  59.00   0.50   15.00    --   13.19-107.00 -34.44  126
 20  ω    -68.00  -5.00   0.50   15.00    --   13.19 -19.00 -90.00  126
;
_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      0.0235734000
_diffrn_orient_matrix_UB_12      -0.0388717000
_diffrn_orient_matrix_UB_13      -0.0040023000
_diffrn_orient_matrix_UB_21      0.0149230000
_diffrn_orient_matrix_UB_22      0.0135325000
_diffrn_orient_matrix_UB_23      0.0381292000
_diffrn_orient_matrix_UB_31      -0.0498673000
_diffrn_orient_matrix_UB_32      -0.0245078000
_diffrn_orient_matrix_UB_33      0.0023705000
_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                19318
_reflns_number_total             21032
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.600
_refine_diff_density_min         -1.507
_refine_diff_density_rms         0.130
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     889
_refine_ls_number_reflns         21032
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0267
_refine_ls_restrained_S_all      1.064
_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)+(0.0210P)²+6.5020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0642
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Free rotating group:
 O00E(H00A,H00B), O00F(H00C,H00D)
1.b Secondary CH2 refined with riding coordinates:
 C02N(H02N,H02Q), C02Q(H02R,H02S)
1.c Aromatic/amide H refined with riding coordinates:
 C00I(H00I), C00K(H00K), C6(H6), C00M(H00M), C1(H1), C00P(H00P), C00Q(H00Q),
 C9(H9), C00U(H00U), C00X(H00X), C00Z(H00Z), C011(H011), C012(H012), C013(H013),
  C014(H014), C3(H3), C016(H016), C018(H018), C019(H019), C01B(H01B),
 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), C01X(H01X), C01Y(H01Y),
 C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023), C024(H024),
 C025(H025), C026(H026), C027(H027), C028(H028), C029(H029), C02A(H02A),
 C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02F(H02F), C02G(H02G),
 C02H(H02H), C02I(H02I), C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M),
 C02O(H02O), C02P(H02P)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.51309(2) 0.46388(2) 0.28805(2) 0.00860(2) Uani 1 1 d . . . . .
Cl1 Cl 0.49511(4) 0.41498(3) 0.39526(3) 0.01292(9) Uani 1 1 d . . . . .
Cl2 Cl 0.56451(5) 0.55899(4) 0.09035(3) 0.01703(10) Uani 1 1 d . . . . .
P4 P 0.49189(4) 0.76794(4) 0.44182(3) 0.01158(10) Uani 1 1 d . . . . .
P3 P 0.50685(4) 0.19395(4) 0.09565(3) 0.01130(10) Uani 1 1 d . . . . .
P2 P 0.70767(4) 0.48766(4) 0.32404(3) 0.01040(9) Uani 1 1 d . . . . .
P1 P 0.31855(4) 0.43047(4) 0.25111(3) 0.01065(10) Uani 1 1 d . . . . .
Cl08 Cl -0.23189(5) 0.79539(4) 0.13480(3) 0.02197(11) Uani 1 1 d . . . . .
Cl09 Cl 0.16778(5) 0.89423(4) 0.22381(3) 0.02326(12) Uani 1 1 d . . . . .
Cl0A Cl 0.04103(7) 0.63801(5) 0.03552(5) 0.04011(17) Uani 1 1 d . . . . .
Cl0B Cl 0.02500(8) 0.78756(5) -0.01857(4) 0.04228(18) Uani 1 1 d . . . . .
Cl0C Cl -0.06803(8) 1.06684(6) 0.35894(5) 0.0470(2) Uani 1 1 d . . . . .
Cl0D Cl 0.10558(8) 1.04644(6) 0.46051(7) 0.0584(3) Uani 1 1 d . . . . .
O00E O -0.04828(15) 0.79923(14) 0.26215(10) 0.0281(4) Uani 1 1 d G . . . .
H00A H -0.0974 0.7951 0.2277 0.042 Uiso 1 1 d G U . . .
H00B H 0.0100 0.8164 0.2488 0.042 Uiso 1 1 d G U . . .
O00F O -0.03657(17) 0.95818(13) 0.15752(13) 0.0335(5) Uani 1 1 d G . . . .
H00C H -0.0883 0.9144 0.1501 0.050 Uiso 1 1 d G U . . .
H00D H 0.0174 0.9424 0.1764 0.050 Uiso 1 1 d G U . . .
C00G C 0.54413(18) 0.83171(14) 0.53491(12) 0.0146(4) Uani 1 1 d . . . . .
C00H C 0.55161(17) 0.19529(14) 0.01221(11) 0.0137(4) Uani 1 1 d . . . . .
C00I C 0.76304(19) 0.66361(17) 0.52980(13) 0.0205(5) Uani 1 1 d . . . . .
H00I H 0.7334 0.6668 0.5726 0.025 Uiso 1 1 calc R U . . .
C7 C 0.52145(16) 0.59182(14) 0.28949(11) 0.0115(4) Uani 1 1 d . . . . .
C00K C 0.50432(19) 0.80283(15) 0.58897(12) 0.0182(4) Uani 1 1 d . . . . .
H00K H 0.4577 0.7461 0.5766 0.022 Uiso 1 1 calc R U . . .
C6 C 0.53758(17) 0.62169(14) 0.23179(11) 0.0130(4) Uani 1 1 d . . . . .
H6 H 0.5426 0.6823 0.2326 0.016 Uiso 1 1 calc R U . . .
C00M C 0.26947(17) 0.52053(15) 0.38599(12) 0.0139(4) Uani 1 1 d . . . . .
H00M H 0.3326 0.5041 0.4047 0.017 Uiso 1 1 calc R U . . .
C00N C 0.28655(16) 0.44726(16) 0.16456(11) 0.0145(4) Uani 1 1 d . . . . .
C1 C 0.50658(16) 0.33095(14) 0.22825(11) 0.0113(4) Uani 1 1 d . . . . .
H1 H 0.4949 0.2852 0.2497 0.014 Uiso 1 1 calc R U . . .
C00P C 0.11343(18) 0.58981(16) 0.40556(13) 0.0182(4) Uani 1 1 d . . . . .
H00P H 0.0712 0.6223 0.4377 0.022 Uiso 1 1 calc R U . . .
C00Q C 0.49637(19) 0.23313(15) -0.03325(12) 0.0169(4) Uani 1 1 d . . . . .
H00Q H 0.4363 0.2600 -0.0196 0.020 Uiso 1 1 calc R U . . .
C00R C 0.76300(17) 0.58857(15) 0.40245(11) 0.0138(4) Uani 1 1 d . . . . .
C00S C 0.24082(17) 0.31934(15) 0.23978(12) 0.0152(4) Uani 1 1 d . . . . .
C9 C 0.49671(17) 0.65113(14) 0.42352(11) 0.0124(4) Uani 1 1 d . . . . .
H9 H 0.4917 0.6262 0.4613 0.015 Uiso 1 1 calc R U . . .
C00U C 0.71991(18) 0.59416(16) 0.46574(12) 0.0170(4) Uani 1 1 d . . . . .
H00U H 0.6605 0.5499 0.4648 0.020 Uiso 1 1 calc R U . . .
C00V C 0.24055(16) 0.49921(14) 0.31154(11) 0.0129(4) Uani 1 1 d . . . . .
C00W C 0.76564(17) 0.40427(15) 0.35528(11) 0.0142(4) Uani 1 1 d . . . . .
C00X C 0.20595(18) 0.56592(16) 0.43289(12) 0.0172(4) Uani 1 1 d . . . . .
H00X H 0.2258 0.5806 0.4837 0.021 Uiso 1 1 calc R U . . .
C00Y C 0.59336(17) 0.13756(14) 0.13737(11) 0.0136(4) Uani 1 1 d . . . . .
C00Z C 0.7613(2) 0.26133(17) 0.37504(13) 0.0209(5) Uani 1 1 d . . . . .
H00Z H 0.7222 0.2043 0.3721 0.025 Uiso 1 1 calc R U . . .
C010 C 0.56964(18) 0.81161(15) 0.38604(12) 0.0155(4) Uani 1 1 d . . . . .
C011 C 0.88673(19) 0.42941(17) 0.15965(12) 0.0196(5) Uani 1 1 d . . . . .
H011 H 0.9190 0.3805 0.1351 0.024 Uiso 1 1 calc R U . . .
C012 C 0.27158(18) 0.26871(15) 0.28260(12) 0.0168(4) Uani 1 1 d . . . . .
H012 H 0.3411 0.2853 0.3113 0.020 Uiso 1 1 calc R U . . .
C013 C 0.85017(17) 0.65388(16) 0.40432(12) 0.0165(4) Uani 1 1 d . . . . .
H013 H 0.8803 0.6508 0.3617 0.020 Uiso 1 1 calc R U . . .
C014 C 0.64195(18) 0.15775(15) -0.00755(12) 0.0173(4) Uani 1 1 d . . . . .
H014 H 0.6797 0.1323 0.0231 0.021 Uiso 1 1 calc R U . . .
C3 C 0.53832(16) 0.38436(14) 0.13244(11) 0.0127(4) Uani 1 1 d . . . . .
H3 H 0.5512 0.3802 0.0850 0.015 Uiso 1 1 calc R U . . .
C016 C 0.5337(2) 0.85803(17) 0.66092(13) 0.0227(5) Uani 1 1 d . . . . .
H016 H 0.5050 0.8399 0.6978 0.027 Uiso 1 1 calc R U . . .
C017 C 0.78473(16) 0.49616(14) 0.25281(11) 0.0125(4) Uani 1 1 d . . . . .
C018 C 0.84493(19) 0.57626(17) 0.17333(13) 0.0198(5) Uani 1 1 d . . . . .
H018 H 0.8496 0.6282 0.1587 0.024 Uiso 1 1 calc R U . . .
C019 C 0.83406(17) 0.42518(15) 0.21720(12) 0.0147(4) Uani 1 1 d . . . . .
H019 H 0.8316 0.3738 0.2323 0.018 Uiso 1 1 calc R U . . .
C01A C 0.37078(17) 0.13320(14) 0.07929(12) 0.0138(4) Uani 1 1 d . . . . .
C01B C 0.5305(2) 0.23086(16) -0.09840(13) 0.0211(5) Uani 1 1 d . . . . .
H01B H 0.4922 0.2549 -0.1299 0.025 Uiso 1 1 calc R U . . .
C5 C 0.54529(16) 0.54847(14) 0.17263(11) 0.0124(4) Uani 1 1 d . . . . .
C2 C 0.51951(16) 0.30880(14) 0.15582(11) 0.0115(4) Uani 1 1 d . . . . .
C01E C 0.35643(18) 0.78568(15) 0.42453(13) 0.0172(4) Uani 1 1 d . . . . .
C01F C 0.8921(2) 0.50488(18) 0.13818(13) 0.0225(5) Uani 1 1 d . . . . .
H01F H 0.9285 0.5076 0.0990 0.027 Uiso 1 1 calc R U . . .
C01G C 0.70909(18) 0.32046(15) 0.35057(12) 0.0164(4) Uani 1 1 d . . . . .
H01G H 0.6347 0.3034 0.3306 0.020 Uiso 1 1 calc R U . . .
C4 C 0.53616(16) 0.46493(14) 0.18552(11) 0.0114(4) Uani 1 1 d . . . . .
C01I C 0.84982(19) 0.72859(17) 0.53140(13) 0.0215(5) Uani 1 1 d . . . . .
H01I H 0.8795 0.7763 0.5753 0.026 Uiso 1 1 calc R U . . .
C01J C 0.2002(2) 0.19370(16) 0.28330(13) 0.0209(5) Uani 1 1 d . . . . .
H01J H 0.2211 0.1601 0.3132 0.025 Uiso 1 1 calc R U . . .
C01K C 0.61512(19) 0.91420(16) 0.55326(13) 0.0189(4) Uani 1 1 d . . . . .
H01K H 0.6419 0.9339 0.5165 0.023 Uiso 1 1 calc R U . . .
C01L C 0.16293(19) 0.03593(17) 0.05880(14) 0.0219(5) Uani 1 1 d . . . . .
H01L H 0.0921 0.0024 0.0516 0.026 Uiso 1 1 calc R U . . .
C01M C 0.33514(18) 0.10233(15) 0.13377(12) 0.0168(4) Uani 1 1 d . . . . .
H01M H 0.3818 0.1153 0.1783 0.020 Uiso 1 1 calc R U . . .
C01N C 0.67482(19) 0.79495(16) 0.38434(13) 0.0197(5) Uani 1 1 d . . . . .
H01N H 0.7017 0.7601 0.4113 0.024 Uiso 1 1 calc R U . . .
C01O C 0.79049(17) 0.57189(15) 0.23016(12) 0.0156(4) Uani 1 1 d . . . . .
H01O H 0.7571 0.6205 0.2537 0.019 Uiso 1 1 calc R U . . .
C01P C 0.87581(18) 0.42780(17) 0.38474(13) 0.0199(5) Uani 1 1 d . . . . .
H01P H 0.9152 0.4852 0.3887 0.024 Uiso 1 1 calc R U . . .
C01Q C 0.6049(2) 0.93966(17) 0.67897(13) 0.0233(5) Uani 1 1 d . . . . .
H01Q H 0.6253 0.9768 0.7283 0.028 Uiso 1 1 calc R U . . .
C01R C 0.69368(18) 0.18728(16) 0.17555(13) 0.0190(4) Uani 1 1 d . . . . .
H01R H 0.7109 0.2502 0.1836 0.023 Uiso 1 1 calc R U . . .
C01S C 0.6757(2) 0.15804(16) -0.07218(13) 0.0214(5) Uani 1 1 d . . . . .
H01S H 0.7376 0.1336 -0.0853 0.026 Uiso 1 1 calc R U . . .
C01T C 0.23210(19) 0.05294(16) 0.12288(13) 0.0189(4) Uani 1 1 d . . . . .
H01T H 0.2089 0.0307 0.1594 0.023 Uiso 1 1 calc R U . . .
C01U C 0.92768(19) 0.36799(18) 0.40805(14) 0.0226(5) Uani 1 1 d . . . . .
H01U H 1.0025 0.3839 0.4270 0.027 Uiso 1 1 calc R U . . .
C01V C 0.5310(2) 0.86442(18) 0.34770(14) 0.0242(5) Uani 1 1 d . . . . .
H01V H 0.4601 0.8767 0.3493 0.029 Uiso 1 1 calc R U . . .
C8 C 0.50718(16) 0.59784(14) 0.35777(11) 0.0115(4) Uani 1 1 d . . . . .
C01X C 0.2693(2) 0.5494(2) 0.09702(14) 0.0259(5) Uani 1 1 d . . . . .
H01X H 0.2663 0.6086 0.0962 0.031 Uiso 1 1 calc R U . . .
C01Y C 0.28371(18) 0.53422(17) 0.16268(13) 0.0182(4) Uani 1 1 d . . . . .
H01Y H 0.2917 0.5832 0.2067 0.022 Uiso 1 1 calc R U . . .
C01Z C 0.6199(2) 0.19377(17) -0.11778(13) 0.0226(5) Uani 1 1 d . . . . .
H01Z H 0.6429 0.1928 -0.1623 0.027 Uiso 1 1 calc R U . . .
C020 C 0.3004(2) 0.74542(17) 0.35366(15) 0.0251(5) Uani 1 1 d . . . . .
H020 H 0.3332 0.7082 0.3174 0.030 Uiso 1 1 calc R U . . .
C021 C 0.7395(2) 0.82920(18) 0.34351(15) 0.0261(5) Uani 1 1 d . . . . .
H021 H 0.8105 0.8173 0.3418 0.031 Uiso 1 1 calc R U . . .
C022 C 0.8702(2) 0.28530(18) 0.40365(13) 0.0232(5) Uani 1 1 d . . . . .
H022 H 0.9053 0.2447 0.4203 0.028 Uiso 1 1 calc R U . . .
C023 C 0.89293(18) 0.72371(16) 0.46902(13) 0.0200(5) Uani 1 1 d . . . . .
H023 H 0.9522 0.7683 0.4703 0.024 Uiso 1 1 calc R U . . .
C024 C 0.08281(17) 0.56604(16) 0.33121(13) 0.0184(4) Uani 1 1 d . . . . .
H024 H 0.0186 0.5811 0.3126 0.022 Uiso 1 1 calc R U . . .
C025 C 0.14537(17) 0.52052(16) 0.28407(12) 0.0166(4) Uani 1 1 d . . . . .
H025 H 0.1237 0.5038 0.2332 0.020 Uiso 1 1 calc R U . . .
C026 C 0.56781(19) 0.04541(16) 0.12626(13) 0.0189(4) Uani 1 1 d . . . . .
H026 H 0.4995 0.0114 0.1005 0.023 Uiso 1 1 calc R U . . .
C027 C 0.6462(2) 0.96723(16) 0.62574(13) 0.0215(5) Uani 1 1 d . . . . .
H027 H 0.6959 1.0225 0.6387 0.026 Uiso 1 1 calc R U . . .
C028 C 0.0993(2) 0.16778(17) 0.24095(14) 0.0245(5) Uani 1 1 d . . . . .
H028 H 0.0507 0.1171 0.2421 0.029 Uiso 1 1 calc R U . . .
C029 C 0.13857(19) 0.29203(17) 0.19652(14) 0.0221(5) Uani 1 1 d . . . . .
H029 H 0.1166 0.3256 0.1669 0.026 Uiso 1 1 calc R U . . .
C02A C 0.0696(2) 0.21626(18) 0.19684(15) 0.0259(5) Uani 1 1 d . . . . .
H02A H 0.0013 0.1974 0.1665 0.031 Uiso 1 1 calc R U . . .
C02B C 0.27649(18) 0.37601(17) 0.09944(12) 0.0198(5) Uani 1 1 d . . . . .
H02B H 0.2787 0.3166 0.0998 0.024 Uiso 1 1 calc R U . . .
C02C C 0.30071(19) 0.11581(16) 0.01484(13) 0.0196(5) Uani 1 1 d . . . . .
H02C H 0.3238 0.1367 -0.0223 0.024 Uiso 1 1 calc R U . . .
C02D C 0.5970(3) 0.8989(2) 0.30721(17) 0.0332(6) Uani 1 1 d . . . . .
H02D H 0.5711 0.9349 0.2810 0.040 Uiso 1 1 calc R U . . .
C02E C 0.26317(19) 0.3928(2) 0.03380(13) 0.0272(6) Uani 1 1 d . . . . .
H02E H 0.2568 0.3445 -0.0105 0.033 Uiso 1 1 calc R U . . .
C02F C 0.6434(2) 0.00363(17) 0.15338(14) 0.0236(5) Uani 1 1 d . . . . .
H02F H 0.6263 -0.0591 0.1463 0.028 Uiso 1 1 calc R U . . .
C02G C 0.2592(2) 0.4789(2) 0.03286(14) 0.0297(6) Uani 1 1 d . . . . .
H02G H 0.2496 0.4897 -0.0120 0.036 Uiso 1 1 calc R U . . .
C02H C 0.1965(2) 0.06749(19) 0.00536(14) 0.0256(5) Uani 1 1 d . . . . .
H02H H 0.1482 0.0562 -0.0382 0.031 Uiso 1 1 calc R U . . .
C02I C 0.7003(2) 0.88117(19) 0.30483(16) 0.0316(6) Uani 1 1 d . . . . .
H02I H 0.7447 0.9046 0.2766 0.038 Uiso 1 1 calc R U . . .
C02J C 0.3086(2) 0.83878(19) 0.47772(15) 0.0262(5) Uani 1 1 d . . . . .
H02J H 0.3464 0.8666 0.5258 0.031 Uiso 1 1 calc R U . . .
C02K C 0.7433(2) 0.05252(18) 0.19054(14) 0.0235(5) Uani 1 1 d . . . . .
H02K H 0.7946 0.0231 0.2083 0.028 Uiso 1 1 calc R U . . .
C02L C 0.1976(2) 0.75968(19) 0.33621(18) 0.0324(6) Uani 1 1 d . . . . .
H02L H 0.1605 0.7340 0.2878 0.039 Uiso 1 1 calc R U . . .
C02M C 0.7686(2) 0.14371(18) 0.20190(14) 0.0233(5) Uani 1 1 d . . . . .
H02M H 0.8371 0.1771 0.2277 0.028 Uiso 1 1 calc R U . . .
C02N C 0.0116(2) 0.74811(18) 0.05507(14) 0.0266(5) Uani 1 1 d . . . . .
H02N H -0.0628 0.7475 0.0656 0.032 Uiso 1 1 calc R U . . .
H02Q H 0.0613 0.7896 0.0986 0.032 Uiso 1 1 calc R U . . .
C02O C 0.1495(2) 0.8114(2) 0.38953(19) 0.0367(7) Uani 1 1 d . . . . .
H02O H 0.0782 0.8201 0.3778 0.044 Uiso 1 1 calc R U . . .
C02P C 0.2032(2) 0.8509(2) 0.45961(18) 0.0365(7) Uani 1 1 d . . . . .
H02P H 0.1688 0.8864 0.4958 0.044 Uiso 1 1 calc R U . . .
C02Q C 0.0250(3) 1.0005(2) 0.3733(3) 0.0658(13) Uani 1 1 d . . . . .
H02R H 0.0726 0.9942 0.3361 0.079 Uiso 1 1 calc R U . . .
H02S H -0.0142 0.9395 0.3673 0.079 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 2.4890(5) . ?
Os1 P2 2.4387(5) . ?
Os1 P1 2.4332(5) . ?
Os1 C7 2.009(2) . ?
Os1 C1 2.054(2) . ?
Os1 C4 2.077(2) . ?
Os1 C8 2.156(2) . ?
Cl2 C5 1.720(2) . ?
P4 C00G 1.793(2) . ?
P4 C9 1.785(2) . ?
P4 C010 1.784(2) . ?
P4 C01E 1.797(2) . ?
P3 C00H 1.802(2) . ?
P3 C00Y 1.796(2) . ?
P3 C01A 1.799(2) . ?
P3 C2 1.810(2) . ?
P2 C00R 1.828(2) . ?
P2 C00W 1.832(2) . ?
P2 C017 1.824(2) . ?
P1 C00N 1.819(2) . ?
P1 C00S 1.830(2) . ?
P1 C00V 1.827(2) . ?
Cl0A C02N 1.770(3) . ?
Cl0B C02N 1.765(3) . ?
Cl0C C02Q 1.746(4) . ?
Cl0D C02Q 1.776(5) . ?
O00E H00A 0.8501 . ?
O00E H00B 0.8501 . ?
O00F H00C 0.8498 . ?
O00F H00D 0.8503 . ?
C00G C00K 1.399(3) . ?
C00G C01K 1.399(3) . ?
C00H C00Q 1.405(3) . ?
C00H C014 1.403(3) . ?
C00I H00I 0.9500 . ?
C00I C00U 1.384(3) . ?
C00I C01I 1.389(4) . ?
C7 C6 1.385(3) . ?
C7 C8 1.352(3) . ?
C00K H00K 0.9500 . ?
C00K C016 1.390(3) . ?
C6 H6 0.9500 . ?
C6 C5 1.388(3) . ?
C00M H00M 0.9500 . ?
C00M C00V 1.392(3) . ?
C00M C00X 1.391(3) . ?
C00N C01Y 1.397(3) . ?
C00N C02B 1.399(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.393(3) . ?
C00P H00P 0.9500 . ?
C00P C00X 1.390(3) . ?
C00P C024 1.389(3) . ?
C00Q H00Q 0.9500 . ?
C00Q C01B 1.390(3) . ?
C00R C00U 1.399(3) . ?
C00R C013 1.395(3) . ?
C00S C012 1.397(3) . ?
C00S C029 1.404(3) . ?
C9 H9 0.9500 . ?
C9 C8 1.340(3) . ?
C00U H00U 0.9500 . ?
C00V C025 1.399(3) . ?
C00W C01G 1.390(3) . ?
C00W C01P 1.406(3) . ?
C00X H00X 0.9500 . ?
C00Y C01R 1.396(3) . ?
C00Y C026 1.393(3) . ?
C00Z H00Z 0.9500 . ?
C00Z C01G 1.394(3) . ?
C00Z C022 1.387(4) . ?
C010 C01N 1.400(3) . ?
C010 C01V 1.395(3) . ?
C011 H011 0.9500 . ?
C011 C019 1.392(3) . ?
C011 C01F 1.385(4) . ?
C012 H012 0.9500 . ?
C012 C01J 1.395(3) . ?
C013 H013 0.9500 . ?
C013 C023 1.394(3) . ?
C014 H014 0.9500 . ?
C014 C01S 1.388(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.412(3) . ?
C3 C4 1.381(3) . ?
C016 H016 0.9500 . ?
C016 C01Q 1.391(4) . ?
C017 C019 1.398(3) . ?
C017 C01O 1.402(3) . ?
C018 H018 0.9500 . ?
C018 C01F 1.383(4) . ?
C018 C01O 1.393(3) . ?
C019 H019 0.9500 . ?
C01A C01M 1.403(3) . ?
C01A C02C 1.395(3) . ?
C01B H01B 0.9500 . ?
C01B C01Z 1.388(4) . ?
C5 C4 1.417(3) . ?
C01E C020 1.401(3) . ?
C01E C02J 1.381(3) . ?
C01F H01F 0.9500 . ?
C01G H01G 0.9500 . ?
C01I H01I 0.9500 . ?
C01I C023 1.384(3) . ?
C01J H01J 0.9500 . ?
C01J C028 1.384(4) . ?
C01K H01K 0.9500 . ?
C01K C027 1.391(3) . ?
C01L H01L 0.9500 . ?
C01L C01T 1.385(3) . ?
C01L C02H 1.381(4) . ?
C01M H01M 0.9500 . ?
C01M C01T 1.385(3) . ?
C01N H01N 0.9500 . ?
C01N C021 1.382(3) . ?
C01O H01O 0.9500 . ?
C01P H01P 0.9500 . ?
C01P C01U 1.389(3) . ?
C01Q H01Q 0.9500 . ?
C01Q C027 1.381(4) . ?
C01R H01R 0.9500 . ?
C01R C02M 1.398(3) . ?
C01S H01S 0.9500 . ?
C01S C01Z 1.387(4) . ?
C01T H01T 0.9500 . ?
C01U H01U 0.9500 . ?
C01U C022 1.381(4) . ?
C01V H01V 0.9500 . ?
C01V C02D 1.388(4) . ?
C01X H01X 0.9500 . ?
C01X C01Y 1.386(3) . ?
C01X C02G 1.380(4) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C020 C02L 1.382(4) . ?
C021 H021 0.9500 . ?
C021 C02I 1.391(4) . ?
C022 H022 0.9500 . ?
C023 H023 0.9500 . ?
C024 H024 0.9500 . ?
C024 C025 1.385(3) . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C026 C02F 1.392(3) . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C028 C02A 1.385(4) . ?
C029 H029 0.9500 . ?
C029 C02A 1.386(3) . ?
C02A H02A 0.9500 . ?
C02B H02B 0.9500 . ?
C02B C02E 1.397(4) . ?
C02C H02C 0.9500 . ?
C02C C02H 1.396(3) . ?
C02D H02D 0.9500 . ?
C02D C02I 1.383(4) . ?
C02E H02E 0.9500 . ?
C02E C02G 1.380(4) . ?
C02F H02F 0.9500 . ?
C02F C02K 1.383(4) . ?
C02G H02G 0.9500 . ?
C02H H02H 0.9500 . ?
C02I H02I 0.9500 . ?
C02J H02J 0.9500 . ?
C02J C02P 1.403(4) . ?
C02K H02K 0.9500 . ?
C02K C02M 1.377(4) . ?
C02L H02L 0.9500 . ?
C02L C02O 1.376(5) . ?
C02M H02M 0.9500 . ?
C02N H02N 0.9900 . ?
C02N H02Q 0.9900 . ?
C02O H02O 0.9500 . ?
C02O C02P 1.378(5) . ?
C02P H02P 0.9500 . ?
C02Q H02R 0.9900 . ?
C02Q H02S 0.9900 . ?

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 87.199(17) . . ?
P1 Os1 Cl1 91.200(17) . . ?
P1 Os1 P2 176.524(18) . . ?
C7 Os1 Cl1 124.33(6) . . ?
C7 Os1 P2 91.58(6) . . ?
C7 Os1 P1 91.87(6) . . ?
C7 Os1 C1 147.70(8) . . ?
C7 Os1 C4 72.88(8) . . ?
C7 Os1 C8 37.69(8) . . ?
C1 Os1 Cl1 87.91(6) . . ?
C1 Os1 P2 91.90(6) . . ?
C1 Os1 P1 84.96(6) . . ?
C1 Os1 C4 75.04(8) . . ?
C1 Os1 C8 173.43(8) . . ?
C4 Os1 Cl1 162.56(6) . . ?
C4 Os1 P2 89.64(6) . . ?
C4 Os1 P1 90.97(6) . . ?
C4 Os1 C8 110.57(8) . . ?
C8 Os1 Cl1 86.68(6) . . ?
C8 Os1 P2 91.57(5) . . ?
C8 Os1 P1 91.42(5) . . ?
C00G P4 C01E 107.15(11) . . ?
C9 P4 C00G 110.86(10) . . ?
C9 P4 C01E 111.73(10) . . ?
C010 P4 C00G 108.83(11) . . ?
C010 P4 C9 109.97(10) . . ?
C010 P4 C01E 108.19(11) . . ?
C00H P3 C2 109.35(10) . . ?
C00Y P3 C00H 107.93(10) . . ?
C00Y P3 C01A 108.44(10) . . ?
C00Y P3 C2 108.54(10) . . ?
C01A P3 C00H 111.22(10) . . ?
C01A P3 C2 111.25(10) . . ?
C00R P2 Os1 114.31(7) . . ?
C00R P2 C00W 99.00(10) . . ?
C00W P2 Os1 119.20(7) . . ?
C017 P2 Os1 114.08(7) . . ?
C017 P2 C00R 105.98(10) . . ?
C017 P2 C00W 102.30(10) . . ?
C00N P1 Os1 109.21(7) . . ?
C00N P1 C00S 105.08(10) . . ?
C00N P1 C00V 105.45(10) . . ?
C00S P1 Os1 120.70(7) . . ?
C00V P1 Os1 116.72(7) . . ?
C00V P1 C00S 98.04(10) . . ?
H00A O00E H00B 104.5 . . ?
H00C O00F H00D 104.5 . . ?
C00K C00G P4 119.09(17) . . ?
C01K C00G P4 120.25(17) . . ?
C01K C00G C00K 120.3(2) . . ?
C00Q C00H P3 120.48(17) . . ?
C014 C00H P3 119.62(17) . . ?
C014 C00H C00Q 119.9(2) . . ?
C00U C00I H00I 120.1 . . ?
C00U C00I C01I 119.9(2) . . ?
C01I C00I H00I 120.1 . . ?
C6 C7 Os1 125.49(15) . . ?
C8 C7 Os1 77.09(13) . . ?
C8 C7 C6 157.4(2) . . ?
C00G C00K H00K 120.3 . . ?
C016 C00K C00G 119.3(2) . . ?
C016 C00K H00K 120.3 . . ?
C7 C6 H6 125.6 . . ?
C7 C6 C5 108.79(19) . . ?
C5 C6 H6 125.6 . . ?
C00V C00M H00M 120.0 . . ?
C00X C00M H00M 120.0 . . ?
C00X C00M C00V 120.0(2) . . ?
C01Y C00N P1 119.63(17) . . ?
C01Y C00N C02B 119.2(2) . . ?
C02B C00N P1 120.80(18) . . ?
Os1 C1 H1 120.5 . . ?
C2 C1 Os1 119.09(15) . . ?
C2 C1 H1 120.5 . . ?
C00X C00P H00P 120.1 . . ?
C024 C00P H00P 120.1 . . ?
C024 C00P C00X 119.9(2) . . ?
C00H C00Q H00Q 120.3 . . ?
C01B C00Q C00H 119.4(2) . . ?
C01B C00Q H00Q 120.3 . . ?
C00U C00R P2 116.17(17) . . ?
C013 C00R P2 124.21(17) . . ?
C013 C00R C00U 119.3(2) . . ?
C012 C00S P1 121.52(17) . . ?
C012 C00S C029 118.9(2) . . ?
C029 C00S P1 118.62(18) . . ?
P4 C9 H9 119.2 . . ?
C8 C9 P4 121.56(16) . . ?
C8 C9 H9 119.2 . . ?
C00I C00U C00R 120.6(2) . . ?
C00I C00U H00U 119.7 . . ?
C00R C00U H00U 119.7 . . ?
C00M C00V P1 118.80(16) . . ?
C00M C00V C025 119.8(2) . . ?
C025 C00V P1 120.91(16) . . ?
C01G C00W P2 124.69(17) . . ?
C01G C00W C01P 118.9(2) . . ?
C01P C00W P2 116.41(17) . . ?
C00M C00X H00X 119.9 . . ?
C00P C00X C00M 120.1(2) . . ?
C00P C00X H00X 119.9 . . ?
C01R C00Y P3 117.47(17) . . ?
C026 C00Y P3 122.01(17) . . ?
C026 C00Y C01R 120.2(2) . . ?
C01G C00Z H00Z 119.8 . . ?
C022 C00Z H00Z 119.8 . . ?
C022 C00Z C01G 120.3(2) . . ?
C01N C010 P4 117.66(17) . . ?
C01V C010 P4 122.34(18) . . ?
C01V C010 C01N 119.9(2) . . ?
C019 C011 H011 120.0 . . ?
C01F C011 H011 120.0 . . ?
C01F C011 C019 120.0(2) . . ?
C00S C012 H012 120.0 . . ?
C01J C012 C00S 120.0(2) . . ?
C01J C012 H012 120.0 . . ?
C00R C013 H013 120.2 . . ?
C023 C013 C00R 119.7(2) . . ?
C023 C013 H013 120.2 . . ?
C00H C014 H014 120.2 . . ?
C01S C014 C00H 119.6(2) . . ?
C01S C014 H014 120.2 . . ?
C2 C3 H3 123.4 . . ?
C4 C3 H3 123.4 . . ?
C4 C3 C2 113.21(19) . . ?
C00K C016 H016 119.9 . . ?
C00K C016 C01Q 120.1(2) . . ?
C01Q C016 H016 119.9 . . ?
C019 C017 P2 120.55(16) . . ?
C019 C017 C01O 118.9(2) . . ?
C01O C017 P2 120.49(16) . . ?
C01F C018 H018 120.1 . . ?
C01F C018 C01O 119.9(2) . . ?
C01O C018 H018 120.1 . . ?
C011 C019 C017 120.4(2) . . ?
C011 C019 H019 119.8 . . ?
C017 C019 H019 119.8 . . ?
C01M C01A P3 118.07(16) . . ?
C02C C01A P3 122.42(17) . . ?
C02C C01A C01M 119.5(2) . . ?
C00Q C01B H01B 119.7 . . ?
C01Z C01B C00Q 120.6(2) . . ?
C01Z C01B H01B 119.7 . . ?
C6 C5 Cl2 122.33(17) . . ?
C6 C5 C4 114.73(19) . . ?
C4 C5 Cl2 122.93(16) . . ?
C1 C2 P3 123.52(16) . . ?
C1 C2 C3 113.65(19) . . ?
C3 C2 P3 122.76(16) . . ?
C020 C01E P4 117.51(19) . . ?
C02J C01E P4 122.29(19) . . ?
C02J C01E C020 120.2(2) . . ?
C011 C01F H01F 119.8 . . ?
C018 C01F C011 120.4(2) . . ?
C018 C01F H01F 119.8 . . ?
C00W C01G C00Z 120.1(2) . . ?
C00W C01G H01G 119.9 . . ?
C00Z C01G H01G 119.9 . . ?
C3 C4 Os1 118.96(15) . . ?
C3 C4 C5 122.90(19) . . ?
C5 C4 Os1 118.10(15) . . ?
C00I C01I H01I 120.0 . . ?
C023 C01I C00I 120.0(2) . . ?
C023 C01I H01I 120.0 . . ?
C012 C01J H01J 119.7 . . ?
C028 C01J C012 120.6(2) . . ?
C028 C01J H01J 119.7 . . ?
C00G C01K H01K 120.3 . . ?
C027 C01K C00G 119.5(2) . . ?
C027 C01K H01K 120.3 . . ?
C01T C01L H01L 119.9 . . ?
C02H C01L H01L 119.9 . . ?
C02H C01L C01T 120.3(2) . . ?
C01A C01M H01M 119.9 . . ?
C01T C01M C01A 120.2(2) . . ?
C01T C01M H01M 119.9 . . ?
C010 C01N H01N 120.0 . . ?
C021 C01N C010 120.0(2) . . ?
C021 C01N H01N 120.0 . . ?
C017 C01O H01O 119.8 . . ?
C018 C01O C017 120.4(2) . . ?
C018 C01O H01O 119.8 . . ?
C00W C01P H01P 119.7 . . ?
C01U C01P C00W 120.6(2) . . ?
C01U C01P H01P 119.7 . . ?
C016 C01Q H01Q 119.7 . . ?
C027 C01Q C016 120.5(2) . . ?
C027 C01Q H01Q 119.7 . . ?
C00Y C01R H01R 120.2 . . ?
C00Y C01R C02M 119.5(2) . . ?
C02M C01R H01R 120.2 . . ?
C014 C01S H01S 119.7 . . ?
C01Z C01S C014 120.5(2) . . ?
C01Z C01S H01S 119.7 . . ?
C01L C01T H01T 120.0 . . ?
C01M C01T C01L 120.0(2) . . ?
C01M C01T H01T 120.0 . . ?
C01P C01U H01U 120.1 . . ?
C022 C01U C01P 119.8(2) . . ?
C022 C01U H01U 120.1 . . ?
C010 C01V H01V 120.3 . . ?
C02D C01V C010 119.5(2) . . ?
C02D C01V H01V 120.3 . . ?
C7 C8 Os1 65.22(12) . . ?
C9 C8 Os1 147.67(16) . . ?
C9 C8 C7 147.1(2) . . ?
C01Y C01X H01X 119.9 . . ?
C02G C01X H01X 119.9 . . ?
C02G C01X C01Y 120.3(3) . . ?
C00N C01Y H01Y 119.8 . . ?
C01X C01Y C00N 120.4(2) . . ?
C01X C01Y H01Y 119.8 . . ?
C01B C01Z H01Z 120.0 . . ?
C01S C01Z C01B 120.0(2) . . ?
C01S C01Z H01Z 120.0 . . ?
C01E C020 H020 119.9 . . ?
C02L C020 C01E 120.3(3) . . ?
C02L C020 H020 119.9 . . ?
C01N C021 H021 120.1 . . ?
C01N C021 C02I 119.8(2) . . ?
C02I C021 H021 120.1 . . ?
C00Z C022 H022 119.9 . . ?
C01U C022 C00Z 120.2(2) . . ?
C01U C022 H022 119.9 . . ?
C013 C023 H023 119.7 . . ?
C01I C023 C013 120.6(2) . . ?
C01I C023 H023 119.7 . . ?
C00P C024 H024 119.8 . . ?
C025 C024 C00P 120.4(2) . . ?
C025 C024 H024 119.8 . . ?
C00V C025 H025 120.1 . . ?
C024 C025 C00V 119.8(2) . . ?
C024 C025 H025 120.1 . . ?
C00Y C026 H026 120.4 . . ?
C02F C026 C00Y 119.3(2) . . ?
C02F C026 H026 120.4 . . ?
C01K C027 H027 119.9 . . ?
C01Q C027 C01K 120.1(2) . . ?
C01Q C027 H027 119.9 . . ?
C01J C028 H028 120.2 . . ?
C01J C028 C02A 119.5(2) . . ?
C02A C028 H028 120.2 . . ?
C00S C029 H029 119.9 . . ?
C02A C029 C00S 120.2(2) . . ?
C02A C029 H029 119.9 . . ?
C028 C02A C029 120.7(2) . . ?
C028 C02A H02A 119.7 . . ?
C029 C02A H02A 119.7 . . ?
C00N C02B H02B 120.2 . . ?
C02E C02B C00N 119.6(2) . . ?
C02E C02B H02B 120.2 . . ?
C01A C02C H02C 120.2 . . ?
C01A C02C C02H 119.5(2) . . ?
C02H C02C H02C 120.2 . . ?
C01V C02D H02D 119.8 . . ?
C02I C02D C01V 120.4(3) . . ?
C02I C02D H02D 119.8 . . ?
C02B C02E H02E 119.8 . . ?
C02G C02E C02B 120.4(2) . . ?
C02G C02E H02E 119.8 . . ?
C026 C02F H02F 119.7 . . ?
C02K C02F C026 120.7(2) . . ?
C02K C02F H02F 119.7 . . ?
C01X C02G H02G 120.0 . . ?
C02E C02G C01X 120.1(2) . . ?
C02E C02G H02G 120.0 . . ?
C01L C02H C02C 120.5(2) . . ?
C01L C02H H02H 119.8 . . ?
C02C C02H H02H 119.8 . . ?
C021 C02I H02I 119.8 . . ?
C02D C02I C021 120.3(2) . . ?
C02D C02I H02I 119.8 . . ?
C01E C02J H02J 120.5 . . ?
C01E C02J C02P 118.9(3) . . ?
C02P C02J H02J 120.5 . . ?
C02F C02K H02K 119.9 . . ?
C02M C02K C02F 120.2(2) . . ?
C02M C02K H02K 119.9 . . ?
C020 C02L H02L 120.3 . . ?
C02O C02L C020 119.4(3) . . ?
C02O C02L H02L 120.3 . . ?
C01R C02M H02M 119.9 . . ?
C02K C02M C01R 120.2(2) . . ?
C02K C02M H02M 119.9 . . ?
Cl0A C02N H02N 109.5 . . ?
Cl0A C02N H02Q 109.5 . . ?
Cl0B C02N Cl0A 110.86(14) . . ?
Cl0B C02N H02N 109.5 . . ?
Cl0B C02N H02Q 109.5 . . ?
H02N C02N H02Q 108.1 . . ?
C02L C02O H02O 119.5 . . ?
C02L C02O C02P 121.0(3) . . ?
C02P C02O H02O 119.5 . . ?
C02J C02P H02P 119.9 . . ?
C02O C02P C02J 120.2(3) . . ?
C02O C02P H02P 119.9 . . ?
Cl0C C02Q Cl0D 112.95(19) . . ?
Cl0C C02Q H02R 109.0 . . ?
Cl0C C02Q H02S 109.0 . . ?
Cl0D C02Q H02R 109.0 . . ?
Cl0D C02Q H02S 109.0 . . ?
H02R C02Q H02S 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os1 P2 C00R C00U 57.06(18) . . . . ?
Os1 P2 C00R C013 -129.16(17) . . . . ?
Os1 P2 C00W C01G 9.8(2) . . . . ?
Os1 P2 C00W C01P -171.37(14) . . . . ?
Os1 P2 C017 C019 -106.31(16) . . . . ?
Os1 P2 C017 C01O 70.16(18) . . . . ?
Os1 P1 C00N C01Y -81.89(18) . . . . ?
Os1 P1 C00N C02B 90.98(18) . . . . ?
Os1 P1 C00S C012 32.6(2) . . . . ?
Os1 P1 C00S C029 -158.94(16) . . . . ?
Os1 P1 C00V C00M -41.01(19) . . . . ?
Os1 P1 C00V C025 147.17(16) . . . . ?
Os1 C7 C6 C5 0.9(3) . . . . ?
Os1 C7 C8 C9 180.0(4) . . . . ?
Os1 C1 C2 P3 -175.84(10) . . . . ?
Os1 C1 C2 C3 1.2(2) . . . . ?
Cl2 C5 C4 Os1 -179.99(11) . . . . ?
Cl2 C5 C4 C3 -2.2(3) . . . . ?
P4 C00G C00K C016 -171.52(19) . . . . ?
P4 C00G C01K C027 173.41(18) . . . . ?
P4 C9 C8 Os1 -176.00(18) . . . . ?
P4 C9 C8 C7 4.1(5) . . . . ?
P4 C010 C01N C021 -178.34(19) . . . . ?
P4 C010 C01V C02D 177.8(2) . . . . ?
P4 C01E C020 C02L -177.2(2) . . . . ?
P4 C01E C02J C02P 178.7(2) . . . . ?
P3 C00H C00Q C01B -178.02(17) . . . . ?
P3 C00H C014 C01S 179.38(17) . . . . ?
P3 C00Y C01R C02M -172.77(19) . . . . ?
P3 C00Y C026 C02F 172.84(19) . . . . ?
P3 C01A C01M C01T -178.09(18) . . . . ?
P3 C01A C02C C02H 179.36(19) . . . . ?
P2 C00R C00U C00I 174.03(18) . . . . ?
P2 C00R C013 C023 -173.69(18) . . . . ?
P2 C00W C01G C00Z 179.06(18) . . . . ?
P2 C00W C01P C01U -178.22(19) . . . . ?
P2 C017 C019 C011 175.72(17) . . . . ?
P2 C017 C01O C018 -176.82(17) . . . . ?
P1 C00N C01Y C01X 174.06(18) . . . . ?
P1 C00N C02B C02E -173.28(17) . . . . ?
P1 C00S C012 C01J 166.87(17) . . . . ?
P1 C00S C029 C02A -168.5(2) . . . . ?
P1 C00V C025 C024 174.43(18) . . . . ?
C00G P4 C9 C8 -151.06(18) . . . . ?
C00G P4 C010 C01N 71.5(2) . . . . ?
C00G P4 C010 C01V -105.4(2) . . . . ?
C00G P4 C01E C020 177.11(18) . . . . ?
C00G P4 C01E C02J -1.1(2) . . . . ?
C00G C00K C016 C01Q -2.2(4) . . . . ?
C00G C01K C027 C01Q -1.7(4) . . . . ?
C00H P3 C00Y C01R 79.77(19) . . . . ?
C00H P3 C00Y C026 -93.5(2) . . . . ?
C00H P3 C01A C01M 161.04(17) . . . . ?
C00H P3 C01A C02C -18.7(2) . . . . ?
C00H P3 C2 C1 -170.32(17) . . . . ?
C00H P3 C2 C3 12.9(2) . . . . ?
C00H C00Q C01B C01Z -1.7(4) . . . . ?
C00H C014 C01S C01Z -1.0(4) . . . . ?
C00I C01I C023 C013 -0.1(4) . . . . ?
C7 C6 C5 Cl2 179.50(15) . . . . ?
C7 C6 C5 C4 -0.5(3) . . . . ?
C00K C00G C01K C027 0.2(3) . . . . ?
C00K C016 C01Q C027 0.7(4) . . . . ?
C6 C7 C8 Os1 -177.8(5) . . . . ?
C6 C7 C8 C9 2.2(8) . . . . ?
C6 C5 C4 Os1 0.1(2) . . . . ?
C6 C5 C4 C3 177.8(2) . . . . ?
C00M C00V C025 C024 2.7(3) . . . . ?
C00N P1 C00S C012 156.38(18) . . . . ?
C00N P1 C00S C029 -35.1(2) . . . . ?
C00N P1 C00V C00M -162.42(17) . . . . ?
C00N P1 C00V C025 25.8(2) . . . . ?
C00N C02B C02E C02G -0.4(4) . . . . ?
C00P C024 C025 C00V -0.7(4) . . . . ?
C00Q C00H C014 C01S -0.2(3) . . . . ?
C00Q C01B C01Z C01S 0.4(4) . . . . ?
C00R P2 C00W C01G 134.3(2) . . . . ?
C00R P2 C00W C01P -46.89(19) . . . . ?
C00R P2 C017 C019 127.03(17) . . . . ?
C00R P2 C017 C01O -56.49(19) . . . . ?
C00R C013 C023 C01I 0.2(4) . . . . ?
C00S P1 C00N C01Y 147.28(18) . . . . ?
C00S P1 C00N C02B -39.9(2) . . . . ?
C00S P1 C00V C00M 89.42(18) . . . . ?
C00S P1 C00V C025 -82.4(2) . . . . ?
C00S C012 C01J C028 1.1(3) . . . . ?
C00S C029 C02A C028 1.6(4) . . . . ?
C9 P4 C00G C00K -51.2(2) . . . . ?
C9 P4 C00G C01K 135.50(18) . . . . ?
C9 P4 C010 C01N -50.1(2) . . . . ?
C9 P4 C010 C01V 133.0(2) . . . . ?
C9 P4 C01E C020 -61.3(2) . . . . ?
C9 P4 C01E C02J 120.5(2) . . . . ?
C00U C00I C01I C023 0.0(4) . . . . ?
C00U C00R C013 C023 -0.1(3) . . . . ?
C00V P1 C00N C01Y 44.3(2) . . . . ?
C00V P1 C00N C02B -142.84(18) . . . . ?
C00V P1 C00S C012 -95.15(19) . . . . ?
C00V P1 C00S C029 73.3(2) . . . . ?
C00V C00M C00X C00P 0.2(3) . . . . ?
C00W P2 C00R C00U -70.78(18) . . . . ?
C00W P2 C00R C013 103.0(2) . . . . ?
C00W P2 C017 C019 23.80(19) . . . . ?
C00W P2 C017 C01O -159.72(17) . . . . ?
C00W C01P C01U C022 -1.3(4) . . . . ?
C00X C00M C00V P1 -174.36(17) . . . . ?
C00X C00M C00V C025 -2.4(3) . . . . ?
C00X C00P C024 C025 -1.6(4) . . . . ?
C00Y P3 C00H C00Q 178.13(17) . . . . ?
C00Y P3 C00H C014 -1.5(2) . . . . ?
C00Y P3 C01A C01M 42.5(2) . . . . ?
C00Y P3 C01A C02C -137.25(19) . . . . ?
C00Y P3 C2 C1 -52.8(2) . . . . ?
C00Y P3 C2 C3 130.41(18) . . . . ?
C00Y C01R C02M C02K -0.3(4) . . . . ?
C00Y C026 C02F C02K -0.5(4) . . . . ?
C010 P4 C00G C00K -172.31(18) . . . . ?
C010 P4 C00G C01K 14.4(2) . . . . ?
C010 P4 C9 C8 -30.7(2) . . . . ?
C010 P4 C01E C020 59.9(2) . . . . ?
C010 P4 C01E C02J -118.3(2) . . . . ?
C010 C01N C021 C02I 0.8(4) . . . . ?
C010 C01V C02D C02I 0.0(4) . . . . ?
C012 C00S C029 C02A 0.3(4) . . . . ?
C012 C01J C028 C02A 0.8(4) . . . . ?
C013 C00R C00U C00I -0.1(3) . . . . ?
C014 C00H C00Q C01B 1.6(3) . . . . ?
C014 C01S C01Z C01B 1.0(4) . . . . ?
C016 C01Q C027 C01K 1.2(4) . . . . ?
C017 P2 C00R C00U -176.42(17) . . . . ?
C017 P2 C00R C013 -2.6(2) . . . . ?
C017 P2 C00W C01G -117.1(2) . . . . ?
C017 P2 C00W C01P 61.75(19) . . . . ?
C019 C011 C01F C018 -0.3(4) . . . . ?
C019 C017 C01O C018 -0.3(3) . . . . ?
C01A P3 C00H C00Q 59.3(2) . . . . ?
C01A P3 C00H C014 -120.34(18) . . . . ?
C01A P3 C00Y C01R -159.63(17) . . . . ?
C01A P3 C00Y C026 27.1(2) . . . . ?
C01A P3 C2 C1 66.4(2) . . . . ?
C01A P3 C2 C3 -110.35(18) . . . . ?
C01A C01M C01T C01L -1.7(3) . . . . ?
C01A C02C C02H C01L -0.9(4) . . . . ?
C2 P3 C00H C00Q -64.0(2) . . . . ?
C2 P3 C00H C014 116.40(18) . . . . ?
C2 P3 C00Y C01R -38.6(2) . . . . ?
C2 P3 C00Y C026 148.12(19) . . . . ?
C2 P3 C01A C01M -76.79(19) . . . . ?
C2 P3 C01A C02C 103.5(2) . . . . ?
C2 C3 C4 Os1 2.4(2) . . . . ?
C2 C3 C4 C5 -175.34(19) . . . . ?
C01E P4 C00G C00K 70.9(2) . . . . ?
C01E P4 C00G C01K -102.3(2) . . . . ?
C01E P4 C9 C8 89.5(2) . . . . ?
C01E P4 C010 C01N -172.37(18) . . . . ?
C01E P4 C010 C01V 10.7(2) . . . . ?
C01E C020 C02L C02O -2.0(4) . . . . ?
C01E C02J C02P C02O -1.0(4) . . . . ?
C01F C011 C019 C017 1.1(3) . . . . ?
C01F C018 C01O C017 1.1(3) . . . . ?
C01G C00W C01P C01U 0.7(3) . . . . ?
C01G C00Z C022 C01U -0.1(4) . . . . ?
C4 C3 C2 P3 174.83(15) . . . . ?
C4 C3 C2 C1 -2.2(3) . . . . ?
C01I C00I C00U C00R 0.1(4) . . . . ?
C01J C028 C02A C029 -2.1(4) . . . . ?
C01K C00G C00K C016 1.7(3) . . . . ?
C01M C01A C02C C02H -0.4(4) . . . . ?
C01N C010 C01V C02D 1.0(4) . . . . ?
C01N C021 C02I C02D 0.2(4) . . . . ?
C01O C017 C019 C011 -0.8(3) . . . . ?
C01O C018 C01F C011 -0.8(4) . . . . ?
C01P C00W C01G C00Z 0.2(3) . . . . ?
C01P C01U C022 C00Z 1.0(4) . . . . ?
C01R C00Y C026 C02F -0.2(3) . . . . ?
C01T C01L C02H C02C 0.8(4) . . . . ?
C01V C010 C01N C021 -1.4(4) . . . . ?
C01V C02D C02I C021 -0.6(5) . . . . ?
C8 C7 C6 C5 178.3(5) . . . . ?
C01Y C00N C02B C02E -0.4(3) . . . . ?
C01Y C01X C02G C02E 0.2(4) . . . . ?
C020 C01E C02J C02P 0.5(4) . . . . ?
C020 C02L C02O C02P 1.5(4) . . . . ?
C022 C00Z C01G C00W -0.6(4) . . . . ?
C024 C00P C00X C00M 1.8(4) . . . . ?
C026 C00Y C01R C02M 0.6(3) . . . . ?
C026 C02F C02K C02M 0.8(4) . . . . ?
C029 C00S C012 C01J -1.6(3) . . . . ?
C02B C00N C01Y C01X 1.1(3) . . . . ?
C02B C02E C02G C01X 0.5(4) . . . . ?
C02C C01A C01M C01T 1.7(3) . . . . ?
C02F C02K C02M C01R -0.4(4) . . . . ?
C02G C01X C01Y C00N -1.0(4) . . . . ?
C02H C01L C01T C01M 0.5(4) . . . . ?
C02J C01E C020 C02L 1.0(4) . . . . ?
C02L C02O C02P C02J 0.0(5) . . . . ?

_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 1.304
_oxdiff_exptl_absorpt_empirical_full_min 0.781
