# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_dzh151126-1-original
_database_code_depnum_ccdc_archive 'CCDC 1892836'
loop_
_audit_author_name
_audit_author_address
'DENG Zhihong'
;xiamen university
China
;
_audit_update_record             
;
2025-12-12 deposited with the CCDC.	2026-02-19 downloaded from the CCDC.
;
_audit_creation_date             2024-09-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H52 O4 Os P3, C24 H20 B, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C88.50 H75 B Cl3 O4 Os P3'
_chemical_formula_weight         1602.75
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
B B 0.0013 0.0007 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.0065(3)
_cell_length_b                   24.5208(5)
_cell_length_c                   23.9619(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.580(2)
_cell_angle_gamma                90
_cell_volume                     7591.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    181(2)
_cell_measurement_theta_max      29.0900
_cell_measurement_theta_min      2.5020
_shelx_estimated_absorpt_T_max   0.702
_shelx_estimated_absorpt_T_min   0.599
_exptl_absorpt_coefficient_mu    1.900
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic brownish orange'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   brownish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3260
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            46781
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.190
_diffrn_ambient_temperature      181(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Mo at zero, Atlas'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14502
_reflns_number_total             17402
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.515
_refine_diff_density_min         -1.340
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     948
_refine_ls_number_reflns         17402
_refine_ls_number_restraints     105
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0479
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0281P)²+20.9634P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1022
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C1A-Cl1A
 1.77 with sigma of 0.02
 C1A-Cl1
 1.77 with sigma of 0.02
 C0-Cl2
 1.77 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
C89 \\sim Cl4 \\sim Cl0A \\sim Cl3: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Cl2 \\sim Cl1 \\sim C0 \\sim C1A \\sim Cl1A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
C70 \\sim C71 \\sim C72 \\sim C73 \\sim C74 \\sim C75: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
3. Others
 Fixed Sof: Cl4(0.65) H89A(0.65) H89B(0.65) H89C(0.35) H89D(0.35) Cl0A(0.35)
 Cl1(0.5) Cl2(0.25) C0(0.25) H0A(0.25) H0B(0.25) Cl1A(0.25) C1A(0.25)
 H1AA(0.25) H1AB(0.25)
4.a Rotating group:
 O1(H1)
4.b Secondary CH2 refined with riding coordinates:
 C89(H89A,H89B), C89(H89C,H89D), C0(H0A,H0B), C1A(H1AA,H1AB)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C5(H5), C51(H51), C59(H59), C15(H15), C63(H63), C49(H49),
 C17(H17), C23(H23), C21(H21), C48(H48), C11(H11), C45(H45), C57(H57), C47(H47),
  C54(H54), C27(H27), C53(H53), C55(H55), C44(H44), C18(H18), C42(H42),
 C24(H24), C87(H87), C33(H33), C14(H14), C50(H50), C41(H41), C25(H25), C19(H19),
  C12(H12), C35(H35), C20(H20), C56(H56), C13(H13), C62(H62), C60(H60),
 C29(H29), C31(H31), C39(H39), C43(H43), C77(H77), C26(H26), C32(H32), C83(H83),
  C61(H61), C79(H79), C75(H75), C81(H81), C30(H30), C85(H85), C38(H38),
 C71(H71), C84(H84), C37(H37), C36(H36), C80(H80), C86(H86), C73(H73), C65(H65),
  C72(H72), C69(H69), C78(H78), C67(H67), C66(H66), C74(H74), C68(H68)
4.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.58155(2) 0.96315(2) 0.77128(2) 0.02069(5) Uani 1 1 d . . . . .
P1 P 0.54353(8) 0.98420(5) 0.86539(4) 0.0240(2) Uani 1 1 d . . . . .
P2 P 0.62209(8) 0.93093(5) 0.68173(4) 0.0247(2) Uani 1 1 d . . . . .
P3 P 0.39189(8) 1.11190(4) 0.68181(4) 0.0237(2) Uani 1 1 d . . . . .
C3 C 0.5904(3) 1.08133(17) 0.72974(17) 0.0267(9) Uani 1 1 d . . . . .
H3 H 0.618054 1.115659 0.720753 0.032 Uiso 1 1 calc R . . . .
O1 O 0.5545(2) 0.88427(12) 0.79021(12) 0.0317(7) Uani 1 1 d . . . . .
H1 H 0.487342 0.866058 0.786814 0.048 Uiso 1 1 d GR . . . .
C7 C 0.7314(3) 0.95728(17) 0.80030(16) 0.0256(8) Uani 1 1 d . . . . .
H7 H 0.756256 0.923120 0.814895 0.031 Uiso 1 1 calc R . . . .
O2 O 0.3920(3) 0.98606(14) 0.73395(13) 0.0389(8) Uani 1 1 d . . . . .
O4 O 0.9329(3) 0.95300(15) 0.85528(17) 0.0535(10) Uani 1 1 d . . . . .
C4 C 0.6508(3) 1.03972(17) 0.75712(16) 0.0268(8) Uani 1 1 d . . . . .
C6 C 0.8006(3) 0.99942(19) 0.80048(17) 0.0299(9) Uani 1 1 d . . . . .
C1 C 0.4718(3) 1.01311(17) 0.73566(16) 0.0237(8) Uani 1 1 d . . . . .
C2 C 0.4874(3) 1.06809(17) 0.71704(16) 0.0254(9) Uani 1 1 d . . . . .
C5 C 0.7539(3) 1.04682(17) 0.77492(18) 0.0306(9) Uani 1 1 d . . . . .
H5 H 0.790133 1.079917 0.770591 0.037 Uiso 1 1 calc R . . . .
O3 O 0.9687(3) 1.03562(19) 0.8246(2) 0.0748(14) Uani 1 1 d . . . . .
C8 C 0.9086(4) 0.9989(2) 0.8270(2) 0.0400(11) Uani 1 1 d . . . . .
C9 C 1.0336(5) 0.9525(3) 0.8882(3) 0.080(2) Uani 1 1 d . . . . .
H9A H 1.087552 0.957969 0.863396 0.119 Uiso 1 1 calc GR . . . .
H9B H 1.044202 0.917402 0.907504 0.119 Uiso 1 1 calc GR . . . .
H9C H 1.037027 0.981959 0.916070 0.119 Uiso 1 1 calc GR . . . .
C34 C 0.5203(4) 0.8917(2) 0.64063(19) 0.0374(11) Uani 1 1 d . . . . .
C10 C 0.4961(4) 1.05193(18) 0.88076(16) 0.0311(10) Uani 1 1 d . . . . .
C16 C 0.4452(3) 0.93769(18) 0.88713(17) 0.0284(9) Uani 1 1 d . . . . .
C52 C 0.2834(3) 1.12157(17) 0.72109(17) 0.0276(9) Uani 1 1 d . . . . .
C22 C 0.6549(3) 0.97356(18) 0.91808(16) 0.0286(9) Uani 1 1 d . . . . .
C51 C 0.3278(4) 1.03050(19) 0.60631(18) 0.0330(10) Uani 1 1 d . . . . .
H51 H 0.347695 1.006066 0.636377 0.040 Uiso 1 1 calc R . . . .
C58 C 0.4562(3) 1.17590(17) 0.67632(18) 0.0301(9) Uani 1 1 d . . . . .
C59 C 0.5229(4) 1.1837(2) 0.6354(2) 0.0405(11) Uani 1 1 d . . . . .
H59 H 0.527832 1.156948 0.607170 0.049 Uiso 1 1 calc R . . . .
C15 C 0.5473(4) 1.0981(2) 0.86236(19) 0.0391(11) Uani 1 1 d . . . . .
H15 H 0.605214 1.093699 0.841974 0.047 Uiso 1 1 calc R . . . .
C63 C 0.4493(4) 1.21504(19) 0.7175(2) 0.0376(11) Uani 1 1 d . . . . .
H63 H 0.403694 1.209814 0.745321 0.045 Uiso 1 1 calc R . . . .
C28 C 0.7288(3) 0.88221(19) 0.68493(18) 0.0317(10) Uani 1 1 d . . . . .
C46 C 0.3432(3) 1.08640(18) 0.61379(16) 0.0263(9) Uani 1 1 d . . . . .
C40 C 0.6544(4) 0.98518(19) 0.63460(17) 0.0330(10) Uani 1 1 d . . . . .
C49 C 0.2543(4) 1.0458(2) 0.51164(19) 0.0416(12) Uani 1 1 d . . . . .
H49 H 0.224377 1.031807 0.476517 0.050 Uiso 1 1 calc R . . . .
C17 C 0.3560(4) 0.9294(2) 0.85117(19) 0.0394(11) Uani 1 1 d . . . . .
H17 H 0.346626 0.948020 0.816192 0.047 Uiso 1 1 calc R . . . .
C23 C 0.7017(4) 0.92242(19) 0.92233(18) 0.0331(10) Uani 1 1 d . . . . .
H23 H 0.673788 0.893630 0.898726 0.040 Uiso 1 1 calc R . . . .
C21 C 0.4577(4) 0.9095(2) 0.93788(19) 0.0412(12) Uani 1 1 d . . . . .
H21 H 0.519026 0.914314 0.962982 0.049 Uiso 1 1 calc R . . . .
C48 C 0.2678(4) 1.1013(2) 0.51849(19) 0.0449(13) Uani 1 1 d . . . . .
H48 H 0.246685 1.125290 0.488207 0.054 Uiso 1 1 calc R . . . .
C11 C 0.4118(4) 1.0595(2) 0.91129(18) 0.0434(12) Uani 1 1 d . . . . .
H11 H 0.376158 1.028926 0.924129 0.052 Uiso 1 1 calc R . . . .
C45 C 0.7505(4) 1.0109(2) 0.6441(2) 0.0466(13) Uani 1 1 d . . . . .
H45 H 0.801326 0.998200 0.672781 0.056 Uiso 1 1 calc R . . . .
C57 C 0.2807(4) 1.1019(2) 0.77442(19) 0.0409(12) Uani 1 1 d . . . . .
H57 H 0.338305 1.082564 0.792646 0.049 Uiso 1 1 calc R . . . .
C47 C 0.3123(4) 1.12223(19) 0.56961(18) 0.0357(11) Uani 1 1 d . . . . .
H47 H 0.321507 1.160438 0.574449 0.043 Uiso 1 1 calc R . . . .
C54 C 0.1123(4) 1.1592(2) 0.7226(2) 0.0476(13) Uani 1 1 d . . . . .
H54 H 0.054686 1.178893 0.704845 0.057 Uiso 1 1 calc R . . . .
C76 C -0.0188(4) 1.1829(2) 0.5140(3) 0.0498(14) Uani 1 1 d . . . . .
C27 C 0.6958(4) 1.0151(2) 0.9530(2) 0.0466(13) Uani 1 1 d . . . . .
H27 H 0.664648 1.050177 0.950778 0.056 Uiso 1 1 calc R . . . .
C53 C 0.1987(4) 1.1509(2) 0.6949(2) 0.0386(11) Uani 1 1 d . . . . .
H53 H 0.200608 1.165059 0.658162 0.046 Uiso 1 1 calc R . . . .
C55 C 0.1105(4) 1.1388(3) 0.7758(2) 0.0534(15) Uani 1 1 d . . . . .
H55 H 0.051168 1.144458 0.794789 0.064 Uiso 1 1 calc R . . . .
C44 C 0.7711(6) 1.0558(2) 0.6109(3) 0.0593(17) Uani 1 1 d . . . . .
H44 H 0.836633 1.073229 0.617026 0.071 Uiso 1 1 calc R . . . .
C18 C 0.2799(4) 0.8942(2) 0.8654(2) 0.0461(13) Uani 1 1 d . . . . .
H18 H 0.218847 0.888833 0.840224 0.055 Uiso 1 1 calc R . . . .
C42 C 0.6039(5) 1.0503(2) 0.5608(2) 0.0554(16) Uani 1 1 d . . . . .
H42 H 0.553274 1.063958 0.532537 0.066 Uiso 1 1 calc R . . . .
C24 C 0.7877(4) 0.9129(2) 0.9602(2) 0.0439(12) Uani 1 1 d . . . . .
H24 H 0.819081 0.877859 0.962579 0.053 Uiso 1 1 calc R . . . .
C87 C 0.2023(4) 1.2665(2) 0.5863(3) 0.0522(15) Uani 1 1 d . . . . .
H87 H 0.175952 1.271698 0.621274 0.063 Uiso 1 1 calc R . . . .
C33 C 0.8006(4) 0.8818(3) 0.6460(2) 0.0462(13) Uani 1 1 d . . . . .
H33 H 0.799498 0.909984 0.618728 0.055 Uiso 1 1 calc R . . . .
C14 C 0.5134(5) 1.1495(2) 0.8739(2) 0.0515(14) Uani 1 1 d . . . . .
H14 H 0.547846 1.180433 0.860943 0.062 Uiso 1 1 calc R . . . .
C50 C 0.2837(4) 1.0107(2) 0.5552(2) 0.0388(11) Uani 1 1 d . . . . .
H50 H 0.273570 0.972554 0.550148 0.047 Uiso 1 1 calc R . . . .
C82 C 0.1337(5) 1.2517(2) 0.5385(3) 0.0518(15) Uani 1 1 d . . . . .
C41 C 0.5809(4) 1.0050(2) 0.59306(19) 0.0409(12) Uani 1 1 d . . . . .
H41 H 0.515070 0.988018 0.586421 0.049 Uiso 1 1 calc R . . . .
C25 C 0.8282(5) 0.9546(2) 0.9948(2) 0.0610(18) Uani 1 1 d . . . . .
H25 H 0.887424 0.948322 1.021095 0.073 Uiso 1 1 calc R . . . .
C19 C 0.2922(4) 0.8671(2) 0.9158(2) 0.0466(13) Uani 1 1 d . . . . .
H19 H 0.239628 0.843271 0.925783 0.056 Uiso 1 1 calc R . . . .
C64 C -0.0361(5) 1.2552(3) 0.5962(3) 0.0646(18) Uani 1 1 d . . . . .
C12 C 0.3807(5) 1.1124(3) 0.9227(2) 0.0569(16) Uani 1 1 d . . . . .
H12 H 0.324069 1.117850 0.943788 0.068 Uiso 1 1 calc R . . . .
C35 C 0.5366(5) 0.8729(2) 0.5878(2) 0.0522(14) Uani 1 1 d . . . . .
H35 H 0.598298 0.882419 0.572381 0.063 Uiso 1 1 calc R . . . .
C20 C 0.3818(4) 0.8747(2) 0.9519(2) 0.0482(13) Uani 1 1 d . . . . .
H20 H 0.391023 0.855722 0.986730 0.058 Uiso 1 1 calc R . . . .
C56 C 0.1934(4) 1.1103(3) 0.8018(2) 0.0554(15) Uani 1 1 d . . . . .
H56 H 0.191095 1.096278 0.838579 0.066 Uiso 1 1 calc R . . . .
C13 C 0.4312(5) 1.1568(3) 0.9036(2) 0.0616(18) Uani 1 1 d . . . . .
H13 H 0.408702 1.192645 0.911196 0.074 Uiso 1 1 calc R . . . .
C62 C 0.5092(5) 1.2618(2) 0.7180(3) 0.0548(15) Uani 1 1 d . . . . .
H62 H 0.505401 1.288607 0.746299 0.066 Uiso 1 1 calc R . . . .
B1 B 0.0069(6) 1.2451(2) 0.5360(3) 0.0569(19) Uani 1 1 d . . . . .
C60 C 0.5819(4) 1.2309(2) 0.6365(3) 0.0547(15) Uani 1 1 d . . . . .
H60 H 0.627556 1.236617 0.608805 0.066 Uiso 1 1 calc R . . . .
C29 C 0.7321(4) 0.8405(2) 0.7247(2) 0.0450(12) Uani 1 1 d . . . . .
H29 H 0.684138 0.840325 0.751779 0.054 Uiso 1 1 calc R . . . .
C31 C 0.8748(5) 0.7994(3) 0.6859(3) 0.071(2) Uani 1 1 d . . . . .
H31 H 0.924068 0.770792 0.686072 0.085 Uiso 1 1 calc R . . . .
C39 C 0.4276(5) 0.8796(3) 0.6627(2) 0.0554(15) Uani 1 1 d . . . . .
H39 H 0.415979 0.892915 0.698703 0.067 Uiso 1 1 calc R . . . .
C43 C 0.6980(6) 1.0747(2) 0.5698(3) 0.0634(19) Uani 1 1 d . . . . .
H43 H 0.713293 1.105029 0.547493 0.076 Uiso 1 1 calc R . . . .
C77 C -0.0711(5) 1.1699(2) 0.4625(3) 0.0547(15) Uani 1 1 d . . . . .
H77 H -0.098045 1.198490 0.438352 0.066 Uiso 1 1 calc R . . . .
C26 C 0.7824(5) 1.0053(2) 0.9911(3) 0.0643(19) Uani 1 1 d . . . . .
H26 H 0.810336 1.033847 1.014964 0.077 Uiso 1 1 calc R . . . .
C32 C 0.8737(5) 0.8405(3) 0.6467(3) 0.0640(18) Uani 1 1 d . . . . .
H32 H 0.922706 0.840549 0.620173 0.077 Uiso 1 1 calc R . . . .
C83 C 0.1820(6) 1.2421(3) 0.4897(3) 0.0643(18) Uani 1 1 d . . . . .
H83 H 0.140141 1.230460 0.456739 0.077 Uiso 1 1 calc R . . . .
C61 C 0.5743(5) 1.2690(2) 0.6773(3) 0.0611(17) Uani 1 1 d . . . . .
H61 H 0.614776 1.301295 0.677513 0.073 Uiso 1 1 calc R . . . .
C70 C -0.0503(6) 1.2906(3) 0.4916(3) 0.074(2) Uani 1 1 d . U . . .
C79 C -0.0496(5) 1.0737(2) 0.4783(3) 0.0685(19) Uani 1 1 d . . . . .
H79 H -0.059646 1.037027 0.466027 0.082 Uiso 1 1 calc R . . . .
C75 C 0.0020(7) 1.3286(3) 0.4601(3) 0.099(2) Uani 1 1 d . U . . .
H75 H 0.075525 1.328677 0.465063 0.119 Uiso 1 1 calc R . . . .
C81 C 0.0165(5) 1.1380(3) 0.5472(3) 0.0698(19) Uani 1 1 d . . . . .
H81 H 0.052606 1.144692 0.583322 0.084 Uiso 1 1 calc R . . . .
C30 C 0.8052(5) 0.7995(3) 0.7248(3) 0.0670(18) Uani 1 1 d . . . . .
H30 H 0.807139 0.771237 0.752034 0.080 Uiso 1 1 calc R . . . .
C85 C 0.3503(6) 1.2653(3) 0.5337(3) 0.073(2) Uani 1 1 d . . . . .
H85 H 0.422105 1.270869 0.531818 0.088 Uiso 1 1 calc R . . . .
C38 C 0.3526(6) 0.8480(3) 0.6314(3) 0.081(2) Uani 1 1 d . . . . .
H38 H 0.289324 0.839809 0.645841 0.098 Uiso 1 1 calc R . . . .
C71 C -0.1587(6) 1.2912(3) 0.4827(3) 0.087(2) Uani 1 1 d . U . . .
H71 H -0.197030 1.266016 0.502238 0.104 Uiso 1 1 calc R . . . .
C84 C 0.2860(6) 1.2487(3) 0.4871(3) 0.078(2) Uani 1 1 d . . . . .
H84 H 0.314032 1.241812 0.452902 0.094 Uiso 1 1 calc R . . . .
C37 C 0.3712(6) 0.8285(3) 0.5793(3) 0.088(3) Uani 1 1 d . . . . .
H37 H 0.320218 0.806671 0.558225 0.106 Uiso 1 1 calc R . . . .
C36 C 0.4628(6) 0.8402(3) 0.5571(3) 0.070(2) Uani 1 1 d . . . . .
H36 H 0.475001 0.826107 0.521476 0.084 Uiso 1 1 calc R . . . .
C80 C 0.0011(5) 1.0847(3) 0.5298(3) 0.071(2) Uani 1 1 d . . . . .
H80 H 0.026086 1.055705 0.553829 0.085 Uiso 1 1 calc R . . . .
C86 C 0.3082(5) 1.2737(2) 0.5830(3) 0.0624(19) Uani 1 1 d . . . . .
H86 H 0.351892 1.284640 0.615542 0.075 Uiso 1 1 calc R . . . .
C73 C -0.1570(9) 1.3653(4) 0.4148(4) 0.117(3) Uani 1 1 d . U . . .
H73 H -0.193378 1.389739 0.388855 0.141 Uiso 1 1 calc R . . . .
C65 C -0.1047(6) 1.2207(4) 0.6198(3) 0.082(2) Uani 1 1 d . . . . .
H65 H -0.126552 1.188139 0.600455 0.098 Uiso 1 1 calc R . . . .
C72 C -0.2125(7) 1.3294(4) 0.4446(3) 0.103(3) Uani 1 1 d . U . . .
H72 H -0.285966 1.330110 0.439828 0.124 Uiso 1 1 calc R . . . .
C69 C -0.0109(6) 1.3018(3) 0.6284(3) 0.080(2) Uani 1 1 d . . . . .
H69 H 0.034133 1.327708 0.614400 0.096 Uiso 1 1 calc R . . . .
C78 C -0.0860(6) 1.1158(3) 0.4444(3) 0.074(2) Uani 1 1 d . . . . .
H78 H -0.121644 1.108414 0.408323 0.089 Uiso 1 1 calc R . . . .
C67 C -0.1115(8) 1.2785(5) 0.7018(4) 0.114(4) Uani 1 1 d . . . . .
H67 H -0.134567 1.285895 0.737260 0.137 Uiso 1 1 calc R . . . .
C66 C -0.1425(6) 1.2322(5) 0.6709(4) 0.102(3) Uani 1 1 d . . . . .
H66 H -0.190311 1.207788 0.684776 0.122 Uiso 1 1 calc R . . . .
C74 C -0.0492(8) 1.3662(3) 0.4219(4) 0.115(3) Uani 1 1 d . U . . .
H74 H -0.011471 1.391193 0.401854 0.138 Uiso 1 1 calc R . . . .
C68 C -0.0466(8) 1.3125(5) 0.6784(4) 0.104(3) Uani 1 1 d . . . . .
H68 H -0.025166 1.345203 0.697661 0.125 Uiso 1 1 calc R . . . .
Cl3 Cl 0.0511(3) 1.01549(15) 0.66439(16) 0.1699(15) Uani 1 1 d . U . . .
Cl4 Cl 0.1429(4) 0.91929(19) 0.72271(16) 0.1222(15) Uani 0.65 1 d . U P A 1
C89 C 0.1175(10) 0.9895(5) 0.7213(4) 0.142(4) Uani 1 1 d . U . . .
H89A H 0.079626 0.998074 0.753796 0.171 Uiso 0.65 1 calc R . P A 1
H89B H 0.184765 1.008726 0.727386 0.171 Uiso 0.65 1 calc R . P A 1
H89C H 0.117876 1.014089 0.754101 0.171 Uiso 0.35 1 calc R . P A 2
H89D H 0.189598 0.980657 0.715073 0.171 Uiso 0.35 1 calc R . P A 2
Cl0A Cl 0.0464(9) 0.9323(4) 0.7289(4) 0.138(3) Uani 0.35 1 d . U P A 2
Cl1 Cl 0.7199(4) 1.2037(2) 0.7940(2) 0.1146(17) Uani 0.5 1 d D U P . .
Cl2 Cl 0.8977(8) 1.2487(5) 0.8505(4) 0.117(3) Uani 0.25 1 d D U P B 1
C0 C 0.869(3) 1.1890(12) 0.8101(14) 0.114(4) Uani 0.25 1 d D U P B 1
H0A H 0.884190 1.155185 0.832094 0.136 Uiso 0.25 1 calc R . P B 1
H0B H 0.904916 1.188120 0.775687 0.136 Uiso 0.25 1 calc R . P B 1
Cl1A Cl 0.8219(13) 1.3057(6) 0.8191(6) 0.163(4) Uani 0.25 1 d D U P B 2
C1A C 0.831(2) 1.2331(9) 0.8281(16) 0.119(4) Uani 0.25 1 d D U P B 2
H1AA H 0.892697 1.219065 0.812140 0.143 Uiso 0.25 1 calc R . P B 2
H1AB H 0.837643 1.223805 0.868595 0.143 Uiso 0.25 1 calc R . P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 P1 2.4189(10) . ?
Os1 P2 2.4014(10) . ?
Os1 O1 2.027(3) . ?
Os1 C7 1.998(4) . ?
Os1 O2 2.586(4) . ?
Os1 C4 2.127(4) . ?
Os1 C1 1.997(4) . ?
P1 C10 1.824(4) . ?
P1 C16 1.833(5) . ?
P1 C22 1.828(4) . ?
P2 C34 1.830(5) . ?
P2 C28 1.826(5) . ?
P2 C40 1.825(5) . ?
P3 C2 1.780(4) . ?
P3 C52 1.799(4) . ?
P3 C58 1.790(4) . ?
P3 C46 1.792(4) . ?
C3 C4 1.404(6) . ?
C3 C2 1.378(6) . ?
C7 C6 1.370(6) . ?
O2 C1 1.228(5) . ?
O4 C8 1.332(6) . ?
O4 C9 1.449(6) . ?
C4 C5 1.371(6) . ?
C6 C5 1.418(6) . ?
C6 C8 1.474(6) . ?
C1 C2 1.442(6) . ?
O3 C8 1.199(6) . ?
C34 C35 1.386(7) . ?
C34 C39 1.403(8) . ?
C10 C15 1.410(7) . ?
C10 C11 1.399(7) . ?
C16 C17 1.379(6) . ?
C16 C21 1.392(6) . ?
C52 C57 1.370(6) . ?
C52 C53 1.402(6) . ?
C22 C23 1.392(6) . ?
C22 C27 1.384(6) . ?
C51 C46 1.394(6) . ?
C51 C50 1.380(6) . ?
C58 C59 1.394(7) . ?
C58 C63 1.387(6) . ?
C59 C60 1.387(7) . ?
C15 C14 1.373(7) . ?
C63 C62 1.385(7) . ?
C28 C33 1.394(6) . ?
C28 C29 1.395(7) . ?
C46 C47 1.399(6) . ?
C40 C45 1.395(7) . ?
C40 C41 1.387(7) . ?
C49 C48 1.379(7) . ?
C49 C50 1.374(7) . ?
C17 C18 1.386(7) . ?
C23 C24 1.378(6) . ?
C21 C20 1.376(7) . ?
C48 C47 1.391(6) . ?
C11 C12 1.396(7) . ?
C45 C44 1.400(8) . ?
C57 C56 1.390(7) . ?
C54 C53 1.383(7) . ?
C54 C55 1.372(8) . ?
C76 B1 1.637(8) . ?
C76 C77 1.377(8) . ?
C76 C81 1.404(9) . ?
C27 C26 1.388(7) . ?
C55 C56 1.374(8) . ?
C44 C43 1.370(9) . ?
C18 C19 1.371(7) . ?
C42 C41 1.404(7) . ?
C42 C43 1.357(9) . ?
C24 C25 1.382(7) . ?
C87 C82 1.416(7) . ?
C87 C86 1.400(9) . ?
C33 C32 1.387(8) . ?
C14 C13 1.363(9) . ?
C82 B1 1.651(9) . ?
C82 C83 1.410(9) . ?
C25 C26 1.376(8) . ?
C19 C20 1.382(8) . ?
C64 B1 1.625(11) . ?
C64 C65 1.395(11) . ?
C64 C69 1.397(9) . ?
C12 C13 1.376(9) . ?
C35 C36 1.394(8) . ?
C62 C61 1.375(9) . ?
B1 C70 1.658(9) . ?
C60 C61 1.365(9) . ?
C29 C30 1.384(8) . ?
C31 C32 1.378(10) . ?
C31 C30 1.372(9) . ?
C39 C38 1.396(8) . ?
C77 C78 1.401(8) . ?
C83 C84 1.371(10) . ?
C70 C75 1.421(12) . ?
C70 C71 1.401(10) . ?
C79 C80 1.358(10) . ?
C79 C78 1.365(10) . ?
C75 C74 1.411(9) . ?
C81 C80 1.380(8) . ?
C85 C84 1.378(10) . ?
C85 C86 1.372(10) . ?
C38 C37 1.385(10) . ?
C71 C72 1.432(10) . ?
C37 C36 1.390(10) . ?
C73 C72 1.387(14) . ?
C73 C74 1.394(14) . ?
C65 C66 1.399(11) . ?
C69 C68 1.360(11) . ?
C67 C66 1.391(14) . ?
C67 C68 1.353(14) . ?
Cl3 C89 1.657(11) . ?
Cl4 C89 1.751(13) . ?
C89 Cl0A 1.701(13) . ?
Cl1 C0 1.97(4) . ?
Cl1 C1A 1.733(19) . ?
Cl2 C0 1.770(19) . ?
Cl1A C1A 1.796(19) . ?

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 O2 89.28(7) . . ?
P2 Os1 P1 172.99(4) . . ?
P2 Os1 O2 93.47(8) . . ?
O1 Os1 P1 86.31(8) . . ?
O1 Os1 P2 86.99(8) . . ?
O1 Os1 O2 95.83(12) . . ?
O1 Os1 C4 165.02(15) . . ?
C7 Os1 P1 89.22(11) . . ?
C7 Os1 P2 88.97(11) . . ?
C7 Os1 O1 92.35(15) . . ?
C7 Os1 O2 171.58(14) . . ?
C7 Os1 C4 72.84(17) . . ?
C4 Os1 P1 95.51(11) . . ?
C4 Os1 P2 90.43(11) . . ?
C4 Os1 O2 99.06(13) . . ?
C1 Os1 P1 93.16(11) . . ?
C1 Os1 P2 92.25(11) . . ?
C1 Os1 O1 123.16(15) . . ?
C1 Os1 C7 144.49(17) . . ?
C1 Os1 O2 27.43(14) . . ?
C1 Os1 C4 71.66(17) . . ?
C10 P1 Os1 119.51(14) . . ?
C10 P1 C16 104.3(2) . . ?
C10 P1 C22 104.47(19) . . ?
C16 P1 Os1 110.85(14) . . ?
C22 P1 Os1 112.51(14) . . ?
C22 P1 C16 103.8(2) . . ?
C34 P2 Os1 115.76(17) . . ?
C28 P2 Os1 114.92(14) . . ?
C28 P2 C34 100.2(2) . . ?
C40 P2 Os1 113.76(14) . . ?
C40 P2 C34 104.7(2) . . ?
C40 P2 C28 106.0(2) . . ?
C2 P3 C52 112.19(19) . . ?
C2 P3 C58 104.9(2) . . ?
C2 P3 C46 112.1(2) . . ?
C58 P3 C52 108.9(2) . . ?
C58 P3 C46 111.0(2) . . ?
C46 P3 C52 107.75(19) . . ?
C2 C3 C4 114.2(4) . . ?
C6 C7 Os1 124.1(3) . . ?
C1 O2 Os1 48.5(2) . . ?
C8 O4 C9 115.5(5) . . ?
C3 C4 Os1 119.4(3) . . ?
C5 C4 Os1 118.7(3) . . ?
C5 C4 C3 121.9(4) . . ?
C7 C6 C5 111.6(4) . . ?
C7 C6 C8 126.0(4) . . ?
C5 C6 C8 122.2(4) . . ?
O2 C1 Os1 104.1(3) . . ?
O2 C1 C2 130.0(4) . . ?
C2 C1 Os1 125.9(3) . . ?
C3 C2 P3 124.8(3) . . ?
C3 C2 C1 108.7(4) . . ?
C1 C2 P3 126.6(3) . . ?
C4 C5 C6 112.7(4) . . ?
O4 C8 C6 112.7(4) . . ?
O3 C8 O4 122.7(5) . . ?
O3 C8 C6 124.6(5) . . ?
C35 C34 P2 119.3(4) . . ?
C35 C34 C39 120.2(5) . . ?
C39 C34 P2 120.5(4) . . ?
C15 C10 P1 119.1(3) . . ?
C11 C10 P1 121.9(4) . . ?
C11 C10 C15 119.0(4) . . ?
C17 C16 P1 118.6(3) . . ?
C17 C16 C21 118.6(4) . . ?
C21 C16 P1 122.8(4) . . ?
C57 C52 P3 123.2(3) . . ?
C57 C52 C53 119.6(4) . . ?
C53 C52 P3 117.2(3) . . ?
C23 C22 P1 118.9(3) . . ?
C27 C22 P1 122.1(3) . . ?
C27 C22 C23 119.0(4) . . ?
C50 C51 C46 120.0(4) . . ?
C59 C58 P3 120.3(4) . . ?
C63 C58 P3 119.0(4) . . ?
C63 C58 C59 120.1(4) . . ?
C60 C59 C58 119.3(5) . . ?
C14 C15 C10 120.1(5) . . ?
C62 C63 C58 119.8(5) . . ?
C33 C28 P2 122.8(4) . . ?
C33 C28 C29 118.8(5) . . ?
C29 C28 P2 118.2(4) . . ?
C51 C46 P3 119.4(3) . . ?
C51 C46 C47 119.7(4) . . ?
C47 C46 P3 120.7(3) . . ?
C45 C40 P2 119.6(4) . . ?
C41 C40 P2 120.8(4) . . ?
C41 C40 C45 119.3(5) . . ?
C50 C49 C48 120.5(4) . . ?
C16 C17 C18 120.8(4) . . ?
C24 C23 C22 121.0(4) . . ?
C20 C21 C16 120.5(5) . . ?
C49 C48 C47 120.2(5) . . ?
C12 C11 C10 119.1(6) . . ?
C40 C45 C44 119.3(6) . . ?
C52 C57 C56 119.9(5) . . ?
C48 C47 C46 119.3(4) . . ?
C55 C54 C53 119.5(5) . . ?
C77 C76 B1 124.6(5) . . ?
C77 C76 C81 115.0(5) . . ?
C81 C76 B1 120.3(5) . . ?
C22 C27 C26 119.8(5) . . ?
C54 C53 C52 120.1(5) . . ?
C54 C55 C56 120.7(5) . . ?
C43 C44 C45 120.8(6) . . ?
C19 C18 C17 120.3(5) . . ?
C43 C42 C41 120.4(6) . . ?
C23 C24 C25 119.6(5) . . ?
C86 C87 C82 121.3(7) . . ?
C32 C33 C28 120.5(6) . . ?
C13 C14 C15 120.9(6) . . ?
C49 C50 C51 120.3(5) . . ?
C87 C82 B1 126.1(6) . . ?
C83 C82 C87 114.5(6) . . ?
C83 C82 B1 119.5(5) . . ?
C40 C41 C42 120.0(5) . . ?
C26 C25 C24 119.8(5) . . ?
C18 C19 C20 119.4(5) . . ?
C65 C64 B1 124.7(6) . . ?
C65 C64 C69 113.2(8) . . ?
C69 C64 B1 122.0(7) . . ?
C13 C12 C11 120.8(5) . . ?
C34 C35 C36 120.4(6) . . ?
C21 C20 C19 120.5(5) . . ?
C55 C56 C57 120.2(5) . . ?
C14 C13 C12 120.1(5) . . ?
C61 C62 C63 119.5(6) . . ?
C76 B1 C82 105.6(5) . . ?
C76 B1 C70 111.1(5) . . ?
C82 B1 C70 109.3(6) . . ?
C64 B1 C76 110.5(6) . . ?
C64 B1 C82 113.4(5) . . ?
C64 B1 C70 107.0(5) . . ?
C61 C60 C59 120.0(6) . . ?
C30 C29 C28 120.1(5) . . ?
C30 C31 C32 120.4(6) . . ?
C38 C39 C34 119.5(6) . . ?
C42 C43 C44 120.2(6) . . ?
C76 C77 C78 122.2(6) . . ?
C25 C26 C27 120.8(5) . . ?
C31 C32 C33 119.7(6) . . ?
C84 C83 C82 123.6(6) . . ?
C60 C61 C62 121.4(5) . . ?
C75 C70 B1 125.1(7) . . ?
C71 C70 B1 118.4(7) . . ?
C71 C70 C75 116.5(7) . . ?
C80 C79 C78 119.3(6) . . ?
C74 C75 C70 123.6(9) . . ?
C80 C81 C76 122.9(6) . . ?
C31 C30 C29 120.4(6) . . ?
C86 C85 C84 118.4(7) . . ?
C37 C38 C39 119.6(7) . . ?
C70 C71 C72 120.9(9) . . ?
C83 C84 C85 120.6(8) . . ?
C38 C37 C36 121.3(6) . . ?
C37 C36 C35 119.0(6) . . ?
C79 C80 C81 120.2(7) . . ?
C85 C86 C87 121.5(6) . . ?
C72 C73 C74 121.5(8) . . ?
C64 C65 C66 122.5(9) . . ?
C73 C72 C71 119.9(9) . . ?
C68 C69 C64 124.2(10) . . ?
C79 C78 C77 120.4(6) . . ?
C68 C67 C66 116.1(10) . . ?
C67 C66 C65 121.4(10) . . ?
C73 C74 C75 117.6(10) . . ?
C67 C68 C69 122.6(10) . . ?
Cl3 C89 Cl4 118.2(6) . . ?
Cl3 C89 Cl0A 99.6(7) . . ?
Cl2 C0 Cl1 95.4(16) . . ?
Cl1 C1A Cl1A 108.4(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT420_dzh151126-1-original 
;
PROBLEM: D-H Without Acceptor O1 --H1 . Please Check
RESPONSE: Checked, no suitable acceptor found.
;
####################################################################### 
# 
# 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_dzh160331-1
_database_code_depnum_ccdc_archive 'CCDC 1892842'
loop_
_audit_author_name
_audit_author_address
'Zhihong Deng'
;xiamen university
China
;
_audit_update_record             
;
2025-12-12 deposited with the CCDC.	2026-02-19 downloaded from the CCDC.
;
_audit_creation_date             2025-12-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H51 Cl0.25 O4.5 Os P3, 3(C H2 Cl2)'
_chemical_formula_sum            'C66 H57 Cl6.25 O4.50 Os P3'
_chemical_formula_weight         1426.79
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.0692(3)
_cell_length_b                   23.4824(6)
_cell_length_c                   20.1169(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.239(3)
_cell_angle_gamma                90
_cell_volume                     6137.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6221
_cell_measurement_temperature    172.95(10)
_cell_measurement_theta_max      28.7050
_cell_measurement_theta_min      2.3320
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.477
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic blackish black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2865
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0472
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26259
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.214
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      172.95(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1903
_diffrn_detector_type            Sapphire3
_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    -73.00   0.00   1.00    5.00    --  -23.01   0.00  30.00   73
  2  ω    -11.00  16.00   1.00    5.00    --  -23.01  19.00 -90.00   27
  3  ω   -105.00 -42.00   1.00    5.00    --  -23.01 178.00 -90.00   63
  4  ω    -80.00 -21.00   1.00    5.00    --  -23.01  19.00 -90.00   59
  5  ω     61.00 101.00   1.00    5.00    --   24.26 178.00  30.00   40
  6  ω     61.00  89.00   1.00    5.00    --   24.26 178.00-150.00   28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0128197000
_diffrn_orient_matrix_UB_12      0.0290615000
_diffrn_orient_matrix_UB_13      -0.0040295000
_diffrn_orient_matrix_UB_21      0.0448534000
_diffrn_orient_matrix_UB_22      -0.0035876000
_diffrn_orient_matrix_UB_23      0.0228180000
_diffrn_orient_matrix_UB_31      0.0283627000
_diffrn_orient_matrix_UB_32      -0.0074463000
_diffrn_orient_matrix_UB_33      -0.0268420000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9625
_reflns_number_total             10818
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.002
_refine_diff_density_min         -1.633
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         10818
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0571
_refine_ls_restrained_S_all      1.185
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0159P)²+48.5099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1199
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl2A-C1A = Cl2A-C1B = Cl3-C1B = Cl-C1A
 1.77 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C1B \\sim Cl2A \\sim C1A \\sim Cl \\sim Cl3: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
4. Others
 Fixed Sof: O2(0.75) Cl(0.25) C1A(0.25) H1AA(0.25) H1AB(0.25) O1(0.75)
 Cl1(0.25) Cl3(0.75) C1B(0.75) H1BA(0.75) H1BB(0.75)
5.a Secondary CH2 refined with riding coordinates:
 C2AA(H2AA,H2AB), C0AA(H0AA,H0AB), C1A(H1AA,H1AB), C1B(H1BA,H1BB)
5.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C5(H5), C12(H12), C3(H3), C17(H17), C10(H10), C27(H27), C25(H25),
 C34(H34), C24(H24), C46(H46), C15(H15), C21(H21), C47(H47), C50(H50), C26(H26),
  C13(H13), C29(H29), C44(H44), C14(H14), C30(H30), C58(H58), C56(H56),
 C20(H20), C19(H19), C23(H23), C18(H18), C54(H54), C38(H38), C40(H40), C35(H35),
  C33(H33), C48(H48), C53(H53), C62(H62), C52(H52), C49(H49), C59(H59),
 C31(H31), C36(H36), C55(H55), C42(H42), C32(H32), C41(H41), C43(H43), C37(H37),
  C61(H61), C60(H60)
5.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.78206(2) 0.73088(2) 0.33282(2) 0.02186(9) Uani 1 1 d . . . . .
P1 P 0.74087(13) 0.63447(7) 0.30305(8) 0.0190(3) Uani 1 1 d . . . . .
P2 P 0.82472(13) 0.82836(7) 0.35735(9) 0.0227(4) Uani 1 1 d . . . . .
P3 P 0.51284(13) 0.72977(8) 0.48257(8) 0.0237(4) Uani 1 1 d . . . . .
C7 C 0.7742(6) 0.7521(3) 0.2344(3) 0.0274(15) Uani 1 1 d . . . . .
H7 H 0.834397 0.750214 0.211933 0.033 Uiso 1 1 calc R U . . .
O3 O 0.7406(4) 0.7059(2) 0.4767(3) 0.0414(13) Uani 1 1 d . . . . .
C4 C 0.6308(5) 0.7544(3) 0.3054(3) 0.0227(14) Uani 1 1 d . . . . .
C11 C 0.6032(5) 0.6188(3) 0.2999(3) 0.0224(14) Uani 1 1 d . . . . .
C22 C 0.7725(5) 0.6102(3) 0.2209(3) 0.0239(15) Uani 1 1 d . . . . .
O5 O 0.5795(5) 0.8041(3) 0.1055(3) 0.0513(16) Uani 1 1 d . . . . .
C5 C 0.5990(5) 0.7709(3) 0.2411(3) 0.0284(15) Uani 1 1 d . . . . .
H5 H 0.530393 0.781895 0.226035 0.034 Uiso 1 1 calc R U . . .
C6 C 0.6806(6) 0.7697(3) 0.1992(3) 0.0286(15) Uani 1 1 d . . . . .
C12 C 0.5616(5) 0.5924(3) 0.3518(3) 0.0244(14) Uani 1 1 d . . . . .
H12 H 0.605805 0.579379 0.389289 0.029 Uiso 1 1 calc R U . . .
O4 O 0.7437(5) 0.7836(3) 0.0936(3) 0.067(2) Uani 1 1 d . . . . .
C16 C 0.7994(5) 0.5774(3) 0.3570(3) 0.0226(14) Uani 1 1 d . . . . .
C2 C 0.5928(5) 0.7355(3) 0.4168(3) 0.0264(15) Uani 1 1 d . . . . .
C1 C 0.7038(7) 0.7213(3) 0.4226(4) 0.0369(18) Uani 1 1 d . . . . .
C28 C 0.9048(5) 0.8448(3) 0.4357(3) 0.0269(15) Uani 1 1 d . . . . .
C3 C 0.5581(6) 0.7534(3) 0.3534(3) 0.0276(15) Uani 1 1 d . . . . .
H3 H 0.488607 0.764717 0.341994 0.033 Uiso 1 1 calc R U . . .
C39 C 0.7145(6) 0.8764(3) 0.3620(4) 0.0346(18) Uani 1 1 d . . . . .
C17 C 0.8221(5) 0.5869(3) 0.4256(3) 0.0313(16) Uani 1 1 d . . . . .
H17 H 0.810626 0.623390 0.443889 0.038 Uiso 1 1 calc R U . . .
C10 C 0.5371(5) 0.6381(3) 0.2451(3) 0.0270(15) Uani 1 1 d . . . . .
H10 H 0.564452 0.657444 0.209479 0.032 Uiso 1 1 calc R U . . .
C00V C 0.8998(6) 0.8646(3) 0.2973(3) 0.0291(16) Uani 1 1 d . . . . .
C45 C 0.5674(5) 0.7671(3) 0.5564(3) 0.0276(15) Uani 1 1 d . . . . .
C27 C 0.8637(6) 0.6281(3) 0.1988(3) 0.0316(16) Uani 1 1 d . . . . .
H27 H 0.905253 0.655339 0.224083 0.038 Uiso 1 1 calc R U . . .
C25 C 0.8352(7) 0.5677(3) 0.1027(4) 0.042(2) Uani 1 1 d . . . . .
H25 H 0.856255 0.553753 0.062005 0.051 Uiso 1 1 calc R U . . .
C34 C 0.9844(6) 0.8365(4) 0.2790(4) 0.0390(19) Uani 1 1 d . . . . .
H34 H 0.997054 0.798246 0.293016 0.047 Uiso 1 1 calc R U . . .
C24 C 0.7438(6) 0.5487(3) 0.1244(4) 0.0375(18) Uani 1 1 d . . . . .
H24 H 0.702894 0.521285 0.098908 0.045 Uiso 1 1 calc R U . . .
C51 C 0.4923(6) 0.6573(3) 0.5089(3) 0.0273(15) Uani 1 1 d . . . . .
C57 C 0.3885(5) 0.7593(3) 0.4548(3) 0.0271(15) Uani 1 1 d . . . . .
C8 C 0.6739(7) 0.7861(3) 0.1284(4) 0.0393(19) Uani 1 1 d . . . . .
C46 C 0.5336(6) 0.7545(3) 0.6186(4) 0.0321(17) Uani 1 1 d . . . . .
H46 H 0.482111 0.726508 0.622240 0.039 Uiso 1 1 calc R U . . .
C15 C 0.4327(6) 0.6290(4) 0.2425(4) 0.0377(18) Uani 1 1 d . . . . .
H15 H 0.388504 0.641227 0.204573 0.045 Uiso 1 1 calc R U . . .
C21 C 0.8174(5) 0.5238(3) 0.3318(4) 0.0303(16) Uani 1 1 d . . . . .
H21 H 0.802415 0.516691 0.285259 0.036 Uiso 1 1 calc R U . . .
C47 C 0.5767(6) 0.7837(4) 0.6746(4) 0.0402(19) Uani 1 1 d . . . . .
H47 H 0.555256 0.774947 0.717115 0.048 Uiso 1 1 calc R U . . .
C50 C 0.6418(7) 0.8081(4) 0.5523(4) 0.044(2) Uani 1 1 d . . . . .
H50 H 0.665052 0.816662 0.510270 0.053 Uiso 1 1 calc R U . . .
C26 C 0.8951(6) 0.6066(3) 0.1399(4) 0.0382(19) Uani 1 1 d . . . . .
H26 H 0.958217 0.618966 0.125308 0.046 Uiso 1 1 calc R U . . .
C13 C 0.4549(6) 0.5846(3) 0.3502(4) 0.0330(17) Uani 1 1 d . . . . .
H13 H 0.426765 0.567304 0.386834 0.040 Uiso 1 1 calc R U . . .
C29 C 0.9103(6) 0.8075(3) 0.4892(4) 0.0351(17) Uani 1 1 d . . . . .
H29 H 0.875747 0.771880 0.484481 0.042 Uiso 1 1 calc R U . . .
C44 C 0.6495(7) 0.8895(4) 0.3044(5) 0.057(3) Uani 1 1 d . . . . .
H44 H 0.665609 0.876526 0.262044 0.068 Uiso 1 1 calc R U . . .
C14 C 0.3916(6) 0.6023(4) 0.2948(4) 0.0393(19) Uani 1 1 d . . . . .
H14 H 0.319450 0.596120 0.292553 0.047 Uiso 1 1 calc R U . . .
C30 C 0.9660(7) 0.8218(4) 0.5501(4) 0.045(2) Uani 1 1 d . . . . .
H30 H 0.968990 0.796168 0.586803 0.054 Uiso 1 1 calc R U . . .
C58 C 0.3249(5) 0.7327(3) 0.4045(4) 0.0339(17) Uani 1 1 d . . . . .
H58 H 0.348942 0.700213 0.382737 0.041 Uiso 1 1 calc R U . . .
C56 C 0.5742(6) 0.6197(3) 0.5202(3) 0.0346(17) Uani 1 1 d . . . . .
H56 H 0.640882 0.631187 0.510900 0.041 Uiso 1 1 calc R U . . .
C20 C 0.8575(6) 0.4803(3) 0.3742(4) 0.0382(18) Uani 1 1 d . . . . .
H20 H 0.869828 0.443758 0.356369 0.046 Uiso 1 1 calc R U . . .
C19 C 0.8791(6) 0.4898(3) 0.4412(4) 0.0356(18) Uani 1 1 d . . . . .
H19 H 0.906176 0.460015 0.469819 0.043 Uiso 1 1 calc R U . . .
C23 C 0.7127(6) 0.5698(3) 0.1832(3) 0.0305(16) Uani 1 1 d . . . . .
H23 H 0.650196 0.556763 0.198084 0.037 Uiso 1 1 calc R U . . .
C18 C 0.8615(6) 0.5429(3) 0.4672(4) 0.0353(18) Uani 1 1 d . . . . .
H18 H 0.876296 0.549379 0.513871 0.042 Uiso 1 1 calc R U . . .
C54 C 0.4630(8) 0.5503(4) 0.5574(4) 0.054(2) Uani 1 1 d . . . . .
H54 H 0.452609 0.513024 0.573609 0.065 Uiso 1 1 calc R U . . .
C38 C 0.8824(7) 0.9207(4) 0.2762(4) 0.046(2) Uani 1 1 d . . . . .
H38 H 0.824743 0.940888 0.289046 0.055 Uiso 1 1 calc R U . . .
C40 C 0.6901(7) 0.8966(3) 0.4234(5) 0.046(2) Uani 1 1 d . . . . .
H40 H 0.734793 0.889313 0.462989 0.055 Uiso 1 1 calc R U . . .
C35 C 1.0515(6) 0.8631(4) 0.2405(4) 0.042(2) Uani 1 1 d . . . . .
H35 H 1.109804 0.843216 0.228175 0.050 Uiso 1 1 calc R U . . .
C33 C 0.9567(7) 0.8964(4) 0.4438(4) 0.046(2) Uani 1 1 d . . . . .
H33 H 0.953054 0.922594 0.407592 0.055 Uiso 1 1 calc R U . . .
C48 C 0.6497(6) 0.8249(4) 0.6697(4) 0.047(2) Uani 1 1 d . . . . .
H48 H 0.677553 0.845214 0.708306 0.056 Uiso 1 1 calc R U . . .
C53 C 0.3823(7) 0.5860(4) 0.5475(4) 0.052(2) Uani 1 1 d . . . . .
H53 H 0.316153 0.573586 0.556901 0.062 Uiso 1 1 calc R U . . .
C62 C 0.3530(7) 0.8067(4) 0.4863(4) 0.047(2) Uani 1 1 d . . . . .
H62 H 0.395963 0.825337 0.520759 0.057 Uiso 1 1 calc R U . . .
C52 C 0.3951(7) 0.6416(4) 0.5235(4) 0.042(2) Uani 1 1 d . . . . .
H52 H 0.338979 0.667504 0.517455 0.050 Uiso 1 1 calc R U . . .
C49 C 0.6823(7) 0.8366(4) 0.6082(4) 0.052(2) Uani 1 1 d . . . . .
H49 H 0.733519 0.864855 0.604743 0.063 Uiso 1 1 calc R U . . .
C59 C 0.2269(6) 0.7532(4) 0.3856(4) 0.045(2) Uani 1 1 d . . . . .
H59 H 0.184031 0.735060 0.350651 0.054 Uiso 1 1 calc R U . . .
C31 C 1.0160(8) 0.8726(4) 0.5563(4) 0.059(3) Uani 1 1 d . . . . .
H31 H 1.053596 0.882454 0.597839 0.071 Uiso 1 1 calc R U . . .
C36 C 1.0340(8) 0.9184(4) 0.2199(4) 0.054(2) Uani 1 1 d . . . . .
H36 H 1.080784 0.936951 0.194128 0.065 Uiso 1 1 calc R U . . .
C55 C 0.5596(8) 0.5663(4) 0.5446(4) 0.049(2) Uani 1 1 d . . . . .
H55 H 0.615809 0.540591 0.552550 0.059 Uiso 1 1 calc R U . . .
C9 C 0.5662(9) 0.8201(4) 0.0346(4) 0.067(3) Uani 1 1 d . . . . .
H9A H 0.585435 0.787915 0.007497 0.100 Uiso 1 1 calc R U . . .
H9B H 0.610234 0.852825 0.027443 0.100 Uiso 1 1 calc R U . . .
H9C H 0.494100 0.830182 0.021421 0.100 Uiso 1 1 calc R U . . .
C42 C 0.5359(8) 0.9388(5) 0.3704(8) 0.081(4) Uani 1 1 d . . . . .
H42 H 0.473375 0.958725 0.373660 0.097 Uiso 1 1 calc R U . . .
C32 C 1.0130(8) 0.9102(4) 0.5031(4) 0.065(3) Uani 1 1 d . . . . .
H32 H 1.049503 0.945177 0.507688 0.078 Uiso 1 1 calc R U . . .
C41 C 0.6003(8) 0.9273(4) 0.4266(6) 0.069(3) Uani 1 1 d . . . . .
H41 H 0.583462 0.940620 0.468625 0.082 Uiso 1 1 calc R U . . .
C43 C 0.5611(8) 0.9214(4) 0.3089(8) 0.082(4) Uani 1 1 d . . . . .
H43 H 0.518023 0.931344 0.269544 0.098 Uiso 1 1 calc R U . . .
C37 C 0.9481(9) 0.9468(4) 0.2370(4) 0.062(3) Uani 1 1 d . . . . .
H37 H 0.934426 0.984525 0.221522 0.074 Uiso 1 1 calc R U . . .
C61 C 0.2555(8) 0.8266(5) 0.4673(5) 0.066(3) Uani 1 1 d . . . . .
H61 H 0.231614 0.859351 0.488666 0.080 Uiso 1 1 calc R U . . .
C60 C 0.1916(7) 0.7999(4) 0.4176(5) 0.059(3) Uani 1 1 d . . . . .
H60 H 0.123704 0.813708 0.405687 0.070 Uiso 1 1 calc R U . . .
Cl1A Cl 1.1854(2) 0.59040(16) 0.40842(13) 0.0801(9) Uani 1 1 d . . . . .
Cl2 Cl 1.0816(3) 0.55442(16) 0.28215(15) 0.0899(10) Uani 1 1 d . . . . .
C2AA C 1.0669(7) 0.5852(5) 0.3588(5) 0.069(3) Uani 1 1 d . . . . .
H2AA H 1.018869 0.562006 0.382325 0.082 Uiso 1 1 calc R U . . .
H2AB H 1.036752 0.623714 0.351641 0.082 Uiso 1 1 calc R U . . .
Cl0A Cl 0.3147(2) 0.79733(19) 0.2226(2) 0.1213(16) Uani 1 1 d . . . . .
Cl4A Cl 0.3272(3) 0.8993(2) 0.14406(19) 0.1169(13) Uani 1 1 d . . . . .
O2 O 0.9064(4) 0.7038(3) 0.3951(3) 0.0221(13) Uani 0.75 1 d . . P B .
Cl2A Cl 0.2626(5) 0.9864(3) 0.3072(3) 0.193(2) Uani 1 1 d D U . . .
C0AA C 0.3221(11) 0.8228(7) 0.1445(7) 0.114(5) Uani 1 1 d . . . . .
H0AA H 0.261334 0.809865 0.114670 0.136 Uiso 1 1 calc R U . . .
H0AB H 0.384408 0.807369 0.127069 0.136 Uiso 1 1 calc R U . . .
Cl Cl 0.1138(16) 1.0224(8) 0.3980(9) 0.130(5) Uani 0.25 1 d D U P A 2
C1A C 0.210(5) 0.971(3) 0.381(3) 0.173(5) Uani 0.25 1 d D U P A 2
H1AA H 0.265572 0.970698 0.418427 0.208 Uiso 0.25 1 calc R U P A 2
H1AB H 0.178666 0.932700 0.377429 0.208 Uiso 0.25 1 calc R U P A 2
O1 O 0.9309(6) 0.7106(4) 0.3274(4) 0.027(2) Uani 0.75 1 d . . P B 2
Cl1 Cl 0.9742(8) 0.7057(5) 0.3466(6) 0.041(2) Uani 0.25 1 d . . P B 1
Cl3 Cl 0.2224(8) 1.0028(3) 0.4370(3) 0.168(3) Uani 0.75 1 d D U P A 1
C1B C 0.1751(17) 0.9715(14) 0.3620(8) 0.168(4) Uani 0.75 1 d D U P A 1
H1BA H 0.168007 0.929870 0.367495 0.202 Uiso 0.75 1 calc R U P A 1
H1BB H 0.106886 0.987560 0.345756 0.202 Uiso 0.75 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 P1 2.3882(17) . ?
Os1 P2 2.3947(18) . ?
Os1 C7 2.034(7) . ?
Os1 C4 2.070(7) . ?
Os1 C1 2.182(8) . ?
Os1 O2 2.043(5) . ?
Os1 O1 2.016(8) . ?
Os1 Cl1 2.566(11) . ?
P1 C11 1.831(7) . ?
P1 C22 1.837(6) . ?
P1 C16 1.839(7) . ?
P2 C28 1.836(7) . ?
P2 C39 1.840(7) . ?
P2 C00V 1.844(7) . ?
P3 C2 1.778(7) . ?
P3 C45 1.803(7) . ?
P3 C51 1.811(7) . ?
P3 C57 1.799(7) . ?
C7 H7 0.9500 . ?
C7 C6 1.407(10) . ?
O3 C1 1.196(9) . ?
C4 C5 1.370(9) . ?
C4 C3 1.427(9) . ?
C11 C12 1.375(9) . ?
C11 C10 1.400(9) . ?
C22 C27 1.382(10) . ?
C22 C23 1.399(10) . ?
O5 C8 1.337(10) . ?
O5 C9 1.467(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.431(10) . ?
C6 C8 1.469(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.403(10) . ?
O4 C8 1.210(10) . ?
C16 C17 1.399(9) . ?
C16 C21 1.385(10) . ?
C2 C1 1.482(10) . ?
C2 C3 1.372(10) . ?
C28 C29 1.384(10) . ?
C28 C33 1.389(10) . ?
C3 H3 0.9500 . ?
C39 C44 1.394(11) . ?
C39 C40 1.393(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.393(10) . ?
C10 H10 0.9500 . ?
C10 C15 1.377(10) . ?
C00V C34 1.372(10) . ?
C00V C38 1.395(10) . ?
C45 C46 1.403(10) . ?
C45 C50 1.378(10) . ?
C27 H27 0.9500 . ?
C27 C26 1.391(10) . ?
C25 H25 0.9500 . ?
C25 C24 1.389(11) . ?
C25 C26 1.371(11) . ?
C34 H34 0.9500 . ?
C34 C35 1.382(11) . ?
C24 H24 0.9500 . ?
C24 C23 1.385(10) . ?
C51 C56 1.386(10) . ?
C51 C52 1.384(10) . ?
C57 C58 1.386(10) . ?
C57 C62 1.386(10) . ?
C46 H46 0.9500 . ?
C46 C47 1.384(10) . ?
C15 H15 0.9500 . ?
C15 C14 1.382(11) . ?
C21 H21 0.9500 . ?
C21 C20 1.398(10) . ?
C47 H47 0.9500 . ?
C47 C48 1.370(12) . ?
C50 H50 0.9500 . ?
C50 C49 1.365(11) . ?
C26 H26 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.378(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.396(10) . ?
C44 H44 0.9500 . ?
C44 C43 1.388(14) . ?
C14 H14 0.9500 . ?
C30 H30 0.9500 . ?
C30 C31 1.360(12) . ?
C58 H58 0.9500 . ?
C58 C59 1.382(11) . ?
C56 H56 0.9500 . ?
C56 C55 1.369(11) . ?
C20 H20 0.9500 . ?
C20 C19 1.364(11) . ?
C19 H19 0.9500 . ?
C19 C18 1.380(11) . ?
C23 H23 0.9500 . ?
C18 H18 0.9500 . ?
C54 H54 0.9500 . ?
C54 C53 1.344(13) . ?
C54 C55 1.368(13) . ?
C38 H38 0.9500 . ?
C38 C37 1.372(12) . ?
C40 H40 0.9500 . ?
C40 C41 1.384(12) . ?
C35 H35 0.9500 . ?
C35 C36 1.373(12) . ?
C33 H33 0.9500 . ?
C33 C32 1.371(11) . ?
C48 H48 0.9500 . ?
C48 C49 1.379(12) . ?
C53 H53 0.9500 . ?
C53 C52 1.410(12) . ?
C62 H62 0.9500 . ?
C62 C61 1.372(12) . ?
C52 H52 0.9500 . ?
C49 H49 0.9500 . ?
C59 H59 0.9500 . ?
C59 C60 1.378(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.381(13) . ?
C55 H55 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C42 H42 0.9500 . ?
C42 C41 1.361(16) . ?
C42 C43 1.376(17) . ?
C32 H32 0.9500 . ?
C41 H41 0.9500 . ?
C43 H43 0.9500 . ?
C37 H37 0.9500 . ?
C61 H61 0.9500 . ?
C61 C60 1.381(13) . ?
C60 H60 0.9500 . ?
Cl1A C2AA 1.753(10) . ?
Cl2 C2AA 1.733(11) . ?
C2AA H2AA 0.9900 . ?
C2AA H2AB 0.9900 . ?
Cl0A C0AA 1.693(15) . ?
Cl4A C0AA 1.796(16) . ?
O2 O1 1.441(10) . ?
O2 Cl1 1.390(13) . ?
Cl2A C1A 1.74(2) . ?
Cl2A C1B 1.709(16) . ?
C0AA H0AA 0.9900 . ?
C0AA H0AB 0.9900 . ?
Cl C1A 1.80(2) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
Cl3 C1B 1.730(16) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 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 P2 177.32(6) . . ?
P1 Os1 Cl1 90.0(3) . . ?
P2 Os1 Cl1 89.7(3) . . ?
C7 Os1 P1 90.13(19) . . ?
C7 Os1 P2 87.25(19) . . ?
C7 Os1 C4 74.3(3) . . ?
C7 Os1 C1 148.5(3) . . ?
C7 Os1 O2 128.8(3) . . ?
C7 Os1 Cl1 96.1(3) . . ?
C4 Os1 P1 90.22(18) . . ?
C4 Os1 P2 89.64(18) . . ?
C4 Os1 C1 74.3(3) . . ?
C4 Os1 Cl1 170.4(3) . . ?
C1 Os1 P1 89.80(19) . . ?
C1 Os1 P2 92.74(19) . . ?
C1 Os1 Cl1 115.4(3) . . ?
O2 Os1 P1 90.07(17) . . ?
O2 Os1 P2 91.12(18) . . ?
O2 Os1 C4 156.9(2) . . ?
O2 Os1 C1 82.7(3) . . ?
O2 Os1 Cl1 32.7(3) . . ?
O1 Os1 P1 87.4(3) . . ?
O1 Os1 P2 91.9(3) . . ?
O1 Os1 C7 87.3(3) . . ?
O1 Os1 C4 161.4(3) . . ?
O1 Os1 C1 124.2(3) . . ?
O1 Os1 O2 41.6(3) . . ?
C11 P1 Os1 113.2(2) . . ?
C11 P1 C22 102.8(3) . . ?
C11 P1 C16 102.6(3) . . ?
C22 P1 Os1 117.0(2) . . ?
C22 P1 C16 100.6(3) . . ?
C16 P1 Os1 118.4(2) . . ?
C28 P2 Os1 118.5(2) . . ?
C28 P2 C39 101.8(3) . . ?
C28 P2 C00V 99.8(3) . . ?
C39 P2 Os1 115.5(2) . . ?
C39 P2 C00V 103.0(3) . . ?
C00V P2 Os1 115.7(2) . . ?
C2 P3 C45 111.4(3) . . ?
C2 P3 C51 114.0(3) . . ?
C2 P3 C57 108.9(3) . . ?
C45 P3 C51 105.9(3) . . ?
C57 P3 C45 109.4(3) . . ?
C57 P3 C51 107.2(3) . . ?
Os1 C7 H7 119.6 . . ?
C6 C7 Os1 120.8(5) . . ?
C6 C7 H7 119.6 . . ?
C5 C4 Os1 120.7(5) . . ?
C5 C4 C3 119.2(6) . . ?
C3 C4 Os1 120.1(5) . . ?
C12 C11 P1 122.1(5) . . ?
C12 C11 C10 118.9(6) . . ?
C10 C11 P1 118.8(5) . . ?
C27 C22 P1 118.7(5) . . ?
C27 C22 C23 118.9(6) . . ?
C23 C22 P1 122.1(5) . . ?
C8 O5 C9 115.0(7) . . ?
C4 C5 H5 123.8 . . ?
C4 C5 C6 112.4(6) . . ?
C6 C5 H5 123.8 . . ?
C7 C6 C5 111.9(6) . . ?
C7 C6 C8 121.5(7) . . ?
C5 C6 C8 126.6(7) . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 121.0(6) . . ?
C13 C12 H12 119.5 . . ?
C17 C16 P1 119.7(5) . . ?
C21 C16 P1 121.5(5) . . ?
C21 C16 C17 118.7(6) . . ?
C1 C2 P3 125.0(5) . . ?
C3 C2 P3 123.6(5) . . ?
C3 C2 C1 111.4(6) . . ?
O3 C1 Os1 127.3(6) . . ?
O3 C1 C2 115.7(7) . . ?
C2 C1 Os1 117.0(5) . . ?
C29 C28 P2 120.7(5) . . ?
C29 C28 C33 118.6(7) . . ?
C33 C28 P2 120.6(6) . . ?
C4 C3 H3 121.4 . . ?
C2 C3 C4 117.2(6) . . ?
C2 C3 H3 121.4 . . ?
C44 C39 P2 120.2(7) . . ?
C40 C39 P2 120.6(6) . . ?
C40 C39 C44 119.0(8) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.9(7) . . ?
C18 C17 H17 120.1 . . ?
C11 C10 H10 119.9 . . ?
C15 C10 C11 120.2(7) . . ?
C15 C10 H10 119.9 . . ?
C34 C00V P2 117.1(6) . . ?
C34 C00V C38 118.8(7) . . ?
C38 C00V P2 123.7(6) . . ?
C46 C45 P3 119.9(5) . . ?
C50 C45 P3 120.6(5) . . ?
C50 C45 C46 119.5(7) . . ?
C22 C27 H27 119.7 . . ?
C22 C27 C26 120.6(7) . . ?
C26 C27 H27 119.7 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C26 C25 C24 120.2(7) . . ?
C00V C34 H34 119.6 . . ?
C00V C34 C35 120.8(8) . . ?
C35 C34 H34 119.6 . . ?
C25 C24 H24 120.1 . . ?
C23 C24 C25 119.7(7) . . ?
C23 C24 H24 120.1 . . ?
C56 C51 P3 120.6(6) . . ?
C52 C51 P3 118.7(6) . . ?
C52 C51 C56 120.4(7) . . ?
C58 C57 P3 120.2(5) . . ?
C62 C57 P3 120.2(6) . . ?
C62 C57 C58 119.4(7) . . ?
O5 C8 C6 111.8(7) . . ?
O4 C8 O5 122.8(7) . . ?
O4 C8 C6 125.3(8) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 C45 118.9(7) . . ?
C47 C46 H46 120.6 . . ?
C10 C15 H15 119.8 . . ?
C10 C15 C14 120.5(7) . . ?
C14 C15 H15 119.8 . . ?
C16 C21 H21 119.7 . . ?
C16 C21 C20 120.5(7) . . ?
C20 C21 H21 119.7 . . ?
C46 C47 H47 119.5 . . ?
C48 C47 C46 121.0(8) . . ?
C48 C47 H47 119.5 . . ?
C45 C50 H50 119.8 . . ?
C49 C50 C45 120.4(8) . . ?
C49 C50 H50 119.8 . . ?
C27 C26 H26 119.9 . . ?
C25 C26 C27 120.2(7) . . ?
C25 C26 H26 119.9 . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.1(7) . . ?
C14 C13 H13 120.4 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.5(7) . . ?
C30 C29 H29 119.7 . . ?
C39 C44 H44 120.0 . . ?
C43 C44 C39 120.0(10) . . ?
C43 C44 H44 120.0 . . ?
C15 C14 H14 119.9 . . ?
C13 C14 C15 120.2(7) . . ?
C13 C14 H14 119.9 . . ?
C29 C30 H30 120.3 . . ?
C31 C30 C29 119.5(8) . . ?
C31 C30 H30 120.3 . . ?
C57 C58 H58 119.7 . . ?
C59 C58 C57 120.6(7) . . ?
C59 C58 H58 119.7 . . ?
C51 C56 H56 119.7 . . ?
C55 C56 C51 120.5(8) . . ?
C55 C56 H56 119.7 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.4(7) . . ?
C19 C20 H20 119.8 . . ?
C20 C19 H19 120.1 . . ?
C20 C19 C18 119.9(7) . . ?
C18 C19 H19 120.1 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(7) . . ?
C24 C23 H23 119.8 . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(7) . . ?
C19 C18 H18 119.7 . . ?
C53 C54 H54 119.1 . . ?
C53 C54 C55 121.9(8) . . ?
C55 C54 H54 119.1 . . ?
C00V C38 H38 119.8 . . ?
C37 C38 C00V 120.4(8) . . ?
C37 C38 H38 119.8 . . ?
C39 C40 H40 120.2 . . ?
C41 C40 C39 119.6(10) . . ?
C41 C40 H40 120.2 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(8) . . ?
C36 C35 H35 119.9 . . ?
C28 C33 H33 119.5 . . ?
C32 C33 C28 121.1(8) . . ?
C32 C33 H33 119.5 . . ?
C47 C48 H48 120.3 . . ?
C47 C48 C49 119.5(8) . . ?
C49 C48 H48 120.3 . . ?
C54 C53 H53 119.8 . . ?
C54 C53 C52 120.5(8) . . ?
C52 C53 H53 119.8 . . ?
C57 C62 H62 120.2 . . ?
C61 C62 C57 119.6(8) . . ?
C61 C62 H62 120.2 . . ?
C51 C52 C53 117.7(8) . . ?
C51 C52 H52 121.1 . . ?
C53 C52 H52 121.1 . . ?
C50 C49 C48 120.7(8) . . ?
C50 C49 H49 119.6 . . ?
C48 C49 H49 119.6 . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.7(8) . . ?
C60 C59 H59 120.1 . . ?
C30 C31 H31 119.5 . . ?
C30 C31 C32 121.0(8) . . ?
C32 C31 H31 119.5 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.6(8) . . ?
C37 C36 H36 120.2 . . ?
C56 C55 H55 120.5 . . ?
C54 C55 C56 119.0(9) . . ?
C54 C55 H55 120.5 . . ?
O5 C9 H9A 109.5 . . ?
O5 C9 H9B 109.5 . . ?
O5 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0(10) . . ?
C43 C42 H42 120.0 . . ?
C33 C32 C31 119.4(8) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C40 C41 H41 119.5 . . ?
C42 C41 C40 121.1(11) . . ?
C42 C41 H41 119.5 . . ?
C44 C43 H43 120.0 . . ?
C42 C43 C44 120.1(11) . . ?
C42 C43 H43 120.0 . . ?
C38 C37 C36 120.2(9) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C62 C61 H61 119.4 . . ?
C62 C61 C60 121.2(9) . . ?
C60 C61 H61 119.4 . . ?
C59 C60 C61 119.5(8) . . ?
C59 C60 H60 120.2 . . ?
C61 C60 H60 120.2 . . ?
Cl1A C2AA H2AA 109.4 . . ?
Cl1A C2AA H2AB 109.4 . . ?
Cl2 C2AA Cl1A 111.1(6) . . ?
Cl2 C2AA H2AA 109.4 . . ?
Cl2 C2AA H2AB 109.4 . . ?
H2AA C2AA H2AB 108.0 . . ?
O1 O2 Os1 68.2(4) . . ?
Cl1 O2 Os1 94.8(5) . . ?
Cl0A C0AA Cl4A 111.3(8) . . ?
Cl0A C0AA H0AA 109.4 . . ?
Cl0A C0AA H0AB 109.4 . . ?
Cl4A C0AA H0AA 109.4 . . ?
Cl4A C0AA H0AB 109.4 . . ?
H0AA C0AA H0AB 108.0 . . ?
Cl2A C1A Cl 112.0(17) . . ?
Cl2A C1A H1AA 109.2 . . ?
Cl2A C1A H1AB 109.2 . . ?
Cl C1A H1AA 109.2 . . ?
Cl C1A H1AB 109.2 . . ?
H1AA C1A H1AB 107.9 . . ?
O2 O1 Os1 70.2(4) . . ?
O2 Cl1 Os1 52.5(4) . . ?
Cl2A C1B Cl3 106.0(11) . . ?
Cl2A C1B H1BA 110.5 . . ?
Cl2A C1B H1BB 110.5 . . ?
Cl3 C1B H1BA 110.5 . . ?
Cl3 C1B H1BB 110.5 . . ?
H1BA C1B H1BB 108.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os1 P1 C11 C12 -99.1(5) . . . . ?
Os1 P1 C11 C10 75.9(5) . . . . ?
Os1 P1 C22 C27 39.3(6) . . . . ?
Os1 P1 C22 C23 -147.2(5) . . . . ?
Os1 P1 C16 C17 31.3(6) . . . . ?
Os1 P1 C16 C21 -151.8(5) . . . . ?
Os1 P2 C28 C29 -22.7(7) . . . . ?
Os1 P2 C28 C33 160.9(6) . . . . ?
Os1 P2 C39 C44 -68.6(7) . . . . ?
Os1 P2 C39 C40 106.3(6) . . . . ?
Os1 P2 C00V C34 -48.0(6) . . . . ?
Os1 P2 C00V C38 139.8(6) . . . . ?
Os1 C7 C6 C5 0.9(8) . . . . ?
Os1 C7 C6 C8 178.9(5) . . . . ?
Os1 C4 C5 C6 -0.3(8) . . . . ?
Os1 C4 C3 C2 -1.1(8) . . . . ?
P1 C11 C12 C13 175.3(5) . . . . ?
P1 C11 C10 C15 -177.3(6) . . . . ?
P1 C22 C27 C26 174.1(6) . . . . ?
P1 C22 C23 C24 -174.2(6) . . . . ?
P1 C16 C17 C18 176.7(5) . . . . ?
P1 C16 C21 C20 -177.0(6) . . . . ?
P2 C28 C29 C30 -175.9(6) . . . . ?
P2 C28 C33 C32 177.0(8) . . . . ?
P2 C39 C44 C43 174.0(7) . . . . ?
P2 C39 C40 C41 -172.6(7) . . . . ?
P2 C00V C34 C35 -172.5(6) . . . . ?
P2 C00V C38 C37 173.1(7) . . . . ?
P3 C2 C1 Os1 178.8(4) . . . . ?
P3 C2 C1 O3 -1.5(10) . . . . ?
P3 C2 C3 C4 -178.4(5) . . . . ?
P3 C45 C46 C47 179.9(6) . . . . ?
P3 C45 C50 C49 179.5(7) . . . . ?
P3 C51 C56 C55 175.3(6) . . . . ?
P3 C51 C52 C53 -176.4(6) . . . . ?
P3 C57 C58 C59 176.1(6) . . . . ?
P3 C57 C62 C61 -176.0(8) . . . . ?
C7 C6 C8 O5 -176.8(6) . . . . ?
C7 C6 C8 O4 4.0(13) . . . . ?
C4 C5 C6 C7 -0.4(9) . . . . ?
C4 C5 C6 C8 -178.2(7) . . . . ?
C11 P1 C22 C27 163.9(6) . . . . ?
C11 P1 C22 C23 -22.6(6) . . . . ?
C11 P1 C16 C17 -94.1(6) . . . . ?
C11 P1 C16 C21 82.8(6) . . . . ?
C11 C12 C13 C14 1.7(11) . . . . ?
C11 C10 C15 C14 1.8(12) . . . . ?
C22 P1 C11 C12 133.8(6) . . . . ?
C22 P1 C11 C10 -51.2(6) . . . . ?
C22 P1 C16 C17 160.0(6) . . . . ?
C22 P1 C16 C21 -23.0(6) . . . . ?
C22 C27 C26 C25 0.6(12) . . . . ?
C5 C4 C3 C2 178.6(6) . . . . ?
C5 C6 C8 O5 0.9(11) . . . . ?
C5 C6 C8 O4 -178.4(8) . . . . ?
C12 C11 C10 C15 -2.1(10) . . . . ?
C12 C13 C14 C15 -2.0(12) . . . . ?
C16 P1 C11 C12 29.6(6) . . . . ?
C16 P1 C11 C10 -155.4(5) . . . . ?
C16 P1 C22 C27 -90.4(6) . . . . ?
C16 P1 C22 C23 83.1(6) . . . . ?
C16 C17 C18 C19 0.5(11) . . . . ?
C16 C21 C20 C19 0.2(12) . . . . ?
C2 P3 C45 C46 -161.5(6) . . . . ?
C2 P3 C45 C50 18.8(8) . . . . ?
C2 P3 C51 C56 46.4(7) . . . . ?
C2 P3 C51 C52 -139.6(6) . . . . ?
C2 P3 C57 C58 67.1(6) . . . . ?
C2 P3 C57 C62 -116.8(7) . . . . ?
C1 C2 C3 C4 1.0(9) . . . . ?
C28 P2 C39 C44 161.7(7) . . . . ?
C28 P2 C39 C40 -23.4(7) . . . . ?
C28 P2 C00V C34 80.3(6) . . . . ?
C28 P2 C00V C38 -91.9(7) . . . . ?
C28 C29 C30 C31 -0.6(13) . . . . ?
C28 C33 C32 C31 -1.6(16) . . . . ?
C3 C4 C5 C6 180.0(6) . . . . ?
C3 C2 C1 Os1 -0.6(8) . . . . ?
C3 C2 C1 O3 179.1(6) . . . . ?
C39 P2 C28 C29 105.1(6) . . . . ?
C39 P2 C28 C33 -71.3(7) . . . . ?
C39 P2 C00V C34 -175.0(6) . . . . ?
C39 P2 C00V C38 12.7(8) . . . . ?
C39 C44 C43 C42 -2.0(16) . . . . ?
C39 C40 C41 C42 -0.8(15) . . . . ?
C17 C16 C21 C20 0.0(10) . . . . ?
C10 C11 C12 C13 0.3(10) . . . . ?
C10 C15 C14 C13 0.2(12) . . . . ?
C00V P2 C28 C29 -149.3(6) . . . . ?
C00V P2 C28 C33 34.4(7) . . . . ?
C00V P2 C39 C44 58.6(7) . . . . ?
C00V P2 C39 C40 -126.5(6) . . . . ?
C00V C34 C35 C36 0.0(12) . . . . ?
C00V C38 C37 C36 -2.2(15) . . . . ?
C45 P3 C2 C1 52.9(7) . . . . ?
C45 P3 C2 C3 -127.8(6) . . . . ?
C45 P3 C51 C56 -76.4(6) . . . . ?
C45 P3 C51 C52 97.7(6) . . . . ?
C45 P3 C57 C58 -171.0(5) . . . . ?
C45 P3 C57 C62 5.1(7) . . . . ?
C45 C46 C47 C48 1.2(12) . . . . ?
C45 C50 C49 C48 0.0(15) . . . . ?
C27 C22 C23 C24 -0.7(10) . . . . ?
C25 C24 C23 C22 0.0(11) . . . . ?
C34 C00V C38 C37 1.0(13) . . . . ?
C34 C35 C36 C37 -1.2(14) . . . . ?
C24 C25 C26 C27 -1.3(12) . . . . ?
C51 P3 C2 C1 -66.9(7) . . . . ?
C51 P3 C2 C3 112.4(6) . . . . ?
C51 P3 C45 C46 -37.0(7) . . . . ?
C51 P3 C45 C50 143.3(7) . . . . ?
C51 P3 C57 C58 -56.7(6) . . . . ?
C51 P3 C57 C62 119.5(7) . . . . ?
C51 C56 C55 C54 0.3(12) . . . . ?
C57 P3 C2 C1 173.5(6) . . . . ?
C57 P3 C2 C3 -7.2(7) . . . . ?
C57 P3 C45 C46 78.1(6) . . . . ?
C57 P3 C45 C50 -101.6(7) . . . . ?
C57 P3 C51 C56 166.9(6) . . . . ?
C57 P3 C51 C52 -19.0(7) . . . . ?
C57 C58 C59 C60 -0.8(13) . . . . ?
C57 C62 C61 C60 0.5(16) . . . . ?
C46 C45 C50 C49 -0.2(13) . . . . ?
C46 C47 C48 C49 -1.4(13) . . . . ?
C21 C16 C17 C18 -0.4(10) . . . . ?
C21 C20 C19 C18 -0.1(12) . . . . ?
C47 C48 C49 C50 0.8(14) . . . . ?
C50 C45 C46 C47 -0.4(11) . . . . ?
C26 C25 C24 C23 0.9(12) . . . . ?
C29 C28 C33 C32 0.6(13) . . . . ?
C29 C30 C31 C32 -0.4(16) . . . . ?
C44 C39 C40 C41 2.3(12) . . . . ?
C30 C31 C32 C33 1.5(17) . . . . ?
C58 C57 C62 C61 0.2(13) . . . . ?
C58 C59 C60 C61 1.5(15) . . . . ?
C56 C51 C52 C53 -2.3(11) . . . . ?
C20 C19 C18 C17 -0.2(12) . . . . ?
C23 C22 C27 C26 0.4(11) . . . . ?
C54 C53 C52 C51 1.7(13) . . . . ?
C38 C00V C34 C35 0.1(12) . . . . ?
C40 C39 C44 C43 -0.9(13) . . . . ?
C35 C36 C37 C38 2.3(15) . . . . ?
C33 C28 C29 C30 0.5(12) . . . . ?
C53 C54 C55 C56 -1.0(14) . . . . ?
C62 C57 C58 C59 0.0(11) . . . . ?
C62 C61 C60 C59 -1.4(17) . . . . ?
C52 C51 C56 C55 1.4(11) . . . . ?
C55 C54 C53 C52 0.0(14) . . . . ?
C9 O5 C8 C6 -178.6(7) . . . . ?
C9 O5 C8 O4 0.6(12) . . . . ?
C41 C42 C43 C44 3.6(17) . . . . ?
C43 C42 C41 C40 -2.2(17) . . . . ?

_olex2_date_sample_data_collection 2016-03-31
_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 1.313
_oxdiff_exptl_absorpt_empirical_full_min 0.796


