# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_complex-3-OTf-SI
_database_code_depnum_ccdc_archive 'CCDC 1911630'
loop_
_audit_author_name
_audit_author_address
'Chun-Yuen Wong'
;City University of Hong Kong
Hong Kong
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-05-14 downloaded from the CCDC.
;
_audit_creation_date             2018-12-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H54 Cl N2 O Os P4, C F3 O3 S'
_chemical_formula_sum            'C64 H54 Cl F3 N2 O4 Os P4 S'
_chemical_formula_weight         1353.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   11.2054(3)
_cell_length_b                   28.5040(8)
_cell_length_c                   18.0588(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.3290(10)
_cell_angle_gamma                90
_cell_volume                     5766.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9323
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      74.59
_cell_measurement_theta_min      2.90
_shelx_estimated_absorpt_T_max   0.781
_shelx_estimated_absorpt_T_min   0.098
_exptl_absorpt_coefficient_mu    6.491
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.3953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_special_details           
;
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 1.54180   11.195   28.509   18.040   89.988   91.327   90.016
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            69110
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.631
_diffrn_reflns_theta_min         2.897
_diffrn_ambient_temperature      203.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10815
_reflns_number_total             11755
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.905
_refine_diff_density_min         -1.145
_refine_diff_density_rms         0.103
_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     722
_refine_ls_number_reflns         11755
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0307
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0486P)²+1.0652P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0791
_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.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B), C51(H51A,H51B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C40(H40), C41(H41),
  C42(H42), C43(H43), C44(H44), C46(H46), C47(H47), C48(H48), C49(H49),
 C50(H50), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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
Os01 Os 0.72637(2) 0.62728(2) 0.67452(2) 0.02180(5) Uani 1 1 d . . . . .
Cl1 Cl 0.55281(6) 0.60075(2) 0.59649(3) 0.03810(13) Uani 1 1 d . . . . .
S1 S 0.25529(6) 0.86955(2) 0.55149(3) 0.03385(13) Uani 1 1 d . . . . .
P1 P 0.81215(5) 0.55110(2) 0.69276(3) 0.02596(11) Uani 1 1 d . . . . .
P2 P 0.88223(5) 0.61561(2) 0.59010(3) 0.02699(11) Uani 1 1 d . . . . .
P3 P 0.83354(4) 0.65629(2) 0.77595(3) 0.02168(10) Uani 1 1 d . . . . .
P4 P 0.60223(5) 0.62975(2) 0.77833(3) 0.02249(11) Uani 1 1 d . . . . .
F1 F 0.2244(2) 0.82494(9) 0.67610(12) 0.0738(7) Uani 1 1 d . . . . .
F2 F 0.1427(3) 0.89171(10) 0.67203(14) 0.0830(8) Uani 1 1 d . . . . .
F3 F 0.3331(3) 0.88555(15) 0.68527(14) 0.1008(11) Uani 1 1 d . . . . .
O1 O 0.48843(18) 0.78691(7) 0.64010(13) 0.0464(5) Uani 1 1 d . . . . .
H1 H 0.4594 0.8057 0.6087 0.070 Uiso 1 1 calc GR . . . .
O2 O 0.3598(3) 0.84235(13) 0.54087(15) 0.0813(11) Uani 1 1 d . . . . .
O3 O 0.1476(3) 0.84782(12) 0.52355(14) 0.0693(8) Uani 1 1 d . . . . .
O4 O 0.2645(3) 0.91792(8) 0.53394(14) 0.0588(6) Uani 1 1 d . . . . .
N1 N 0.64679(18) 0.70565(7) 0.55594(11) 0.0308(4) Uani 1 1 d . . . . .
N2 N 0.7841(2) 0.81476(10) 0.57861(18) 0.0514(6) Uani 1 1 d . . . . .
C1 C 0.6747(2) 0.69524(8) 0.63647(13) 0.0278(4) Uani 1 1 d . . . . .
C2 C 0.6503(2) 0.73562(8) 0.67027(14) 0.0310(5) Uani 1 1 d . . . . .
H2 H 0.6597 0.7395 0.7223 0.037 Uiso 1 1 calc R . . . .
C3 C 0.6068(2) 0.77468(9) 0.62013(16) 0.0361(5) Uani 1 1 d . . . . .
C4 C 0.6081(2) 0.75064(9) 0.54649(16) 0.0370(5) Uani 1 1 d . . . . .
C5 C 0.5756(3) 0.76726(11) 0.47774(17) 0.0466(7) Uani 1 1 d . . . . .
H5 H 0.5479 0.7986 0.4716 0.056 Uiso 1 1 calc R . . . .
C6 C 0.5837(3) 0.73770(13) 0.41771(17) 0.0514(7) Uani 1 1 d . . . . .
H6 H 0.5618 0.7485 0.3695 0.062 Uiso 1 1 calc R . . . .
C7 C 0.6239(3) 0.69230(12) 0.42783(16) 0.0455(6) Uani 1 1 d . . . . .
H7 H 0.6305 0.6719 0.3865 0.055 Uiso 1 1 calc R . . . .
C8 C 0.6545(2) 0.67655(10) 0.49817(14) 0.0366(5) Uani 1 1 d . . . . .
H8 H 0.6810 0.6452 0.5054 0.044 Uiso 1 1 calc R . . . .
C9 C 0.6895(2) 0.81728(9) 0.62211(17) 0.0400(6) Uani 1 1 d . . . . .
C10 C 0.6651(3) 0.85464(11) 0.6678(2) 0.0563(8) Uani 1 1 d . . . . .
H10 H 0.5963 0.8548 0.6975 0.068 Uiso 1 1 calc R . . . .
C11 C 0.7448(4) 0.89216(13) 0.6687(3) 0.0725(12) Uani 1 1 d . . . . .
H11 H 0.7325 0.9183 0.7003 0.087 Uiso 1 1 calc R . . . .
C12 C 0.8406(4) 0.89079(13) 0.6238(3) 0.0766(13) Uani 1 1 d . . . . .
H12 H 0.8947 0.9164 0.6225 0.092 Uiso 1 1 calc R . . . .
C13 C 0.8583(3) 0.85185(15) 0.5803(3) 0.0677(11) Uani 1 1 d . . . . .
H13 H 0.9264 0.8512 0.5499 0.081 Uiso 1 1 calc R . . . .
C14 C 0.7525(2) 0.49713(8) 0.65001(14) 0.0319(5) Uani 1 1 d . . . . .
C15 C 0.6321(3) 0.49187(10) 0.6331(2) 0.0540(8) Uani 1 1 d . . . . .
H15 H 0.5777 0.5158 0.6466 0.065 Uiso 1 1 calc R . . . .
C16 C 0.5898(3) 0.45205(13) 0.5966(3) 0.0658(10) Uani 1 1 d . . . . .
H16 H 0.5071 0.4493 0.5845 0.079 Uiso 1 1 calc R . . . .
C17 C 0.6658(3) 0.41709(11) 0.5782(2) 0.0553(8) Uani 1 1 d . . . . .
H17 H 0.6364 0.3900 0.5532 0.066 Uiso 1 1 calc R . . . .
C18 C 0.7849(3) 0.42096(11) 0.5958(2) 0.0545(8) Uani 1 1 d . . . . .
H18 H 0.8380 0.3963 0.5836 0.065 Uiso 1 1 calc R . . . .
C19 C 0.8282(3) 0.46068(10) 0.63145(18) 0.0451(6) Uani 1 1 d . . . . .
H19 H 0.9110 0.4630 0.6434 0.054 Uiso 1 1 calc R . . . .
C20 C 0.8722(2) 0.52608(8) 0.77951(13) 0.0311(5) Uani 1 1 d . . . . .
C21 C 0.7951(3) 0.51761(9) 0.83718(16) 0.0383(5) Uani 1 1 d . . . . .
H21 H 0.7133 0.5260 0.8319 0.046 Uiso 1 1 calc R . . . .
C22 C 0.8367(3) 0.49697(11) 0.90269(17) 0.0492(7) Uani 1 1 d . . . . .
H22 H 0.7841 0.4925 0.9426 0.059 Uiso 1 1 calc R . . . .
C23 C 0.9551(3) 0.48300(11) 0.90946(17) 0.0521(8) Uani 1 1 d . . . . .
H23 H 0.9832 0.4679 0.9534 0.063 Uiso 1 1 calc R . . . .
C24 C 1.0315(3) 0.49100(11) 0.85261(19) 0.0500(7) Uani 1 1 d . . . . .
H24 H 1.1126 0.4817 0.8576 0.060 Uiso 1 1 calc R . . . .
C25 C 0.9913(3) 0.51258(10) 0.78792(17) 0.0416(6) Uani 1 1 d . . . . .
H25 H 1.0452 0.5182 0.7491 0.050 Uiso 1 1 calc R . . . .
C26 C 0.9457(2) 0.56376(8) 0.63737(13) 0.0305(4) Uani 1 1 d . . . . .
H26A H 1.0169 0.5714 0.6686 0.037 Uiso 1 1 calc R . . . .
H26B H 0.9645 0.5381 0.6026 0.037 Uiso 1 1 calc R . . . .
C27 C 0.8581(2) 0.59474(10) 0.49412(14) 0.0346(5) Uani 1 1 d . . . . .
C28 C 0.7922(3) 0.55428(12) 0.48089(16) 0.0473(7) Uani 1 1 d . . . . .
H28 H 0.7606 0.5373 0.5212 0.057 Uiso 1 1 calc R . . . .
C29 C 0.7724(4) 0.53853(14) 0.40854(19) 0.0579(8) Uani 1 1 d . . . . .
H29 H 0.7287 0.5104 0.3998 0.069 Uiso 1 1 calc R . . . .
C30 C 0.8159(3) 0.56345(15) 0.34966(17) 0.0563(8) Uani 1 1 d . . . . .
H30 H 0.8030 0.5523 0.3005 0.068 Uiso 1 1 calc R . . . .
C31 C 0.8781(3) 0.60455(15) 0.36190(17) 0.0561(8) Uani 1 1 d . . . . .
H31 H 0.9061 0.6222 0.3212 0.067 Uiso 1 1 calc R . . . .
C32 C 0.8996(3) 0.62008(13) 0.43356(17) 0.0460(6) Uani 1 1 d . . . . .
H32 H 0.9432 0.6483 0.4417 0.055 Uiso 1 1 calc R . . . .
C33 C 1.0051(2) 0.65696(9) 0.57636(13) 0.0326(5) Uani 1 1 d . . . . .
C34 C 1.1226(3) 0.64142(12) 0.57256(15) 0.0412(6) Uani 1 1 d . . . . .
H34 H 1.1408 0.6091 0.5788 0.049 Uiso 1 1 calc R . . . .
C35 C 1.2135(3) 0.67378(14) 0.55954(17) 0.0505(7) Uani 1 1 d . . . . .
H35 H 1.2940 0.6635 0.5573 0.061 Uiso 1 1 calc R . . . .
C36 C 1.1866(3) 0.72069(13) 0.54986(17) 0.0534(8) Uani 1 1 d . . . . .
H36 H 1.2489 0.7425 0.5413 0.064 Uiso 1 1 calc R . . . .
C37 C 1.0704(3) 0.73619(11) 0.55243(17) 0.0484(7) Uani 1 1 d . . . . .
H37 H 1.0524 0.7684 0.5449 0.058 Uiso 1 1 calc R . . . .
C38 C 0.9791(3) 0.70421(10) 0.56611(14) 0.0378(5) Uani 1 1 d . . . . .
H38 H 0.8988 0.7148 0.5684 0.045 Uiso 1 1 calc R . . . .
C39 C 0.8536(2) 0.71952(8) 0.78964(13) 0.0286(4) Uani 1 1 d . . . . .
C40 C 0.9261(3) 0.74360(9) 0.74102(14) 0.0358(5) Uani 1 1 d . . . . .
H40 H 0.9666 0.7267 0.7038 0.043 Uiso 1 1 calc R . . . .
C41 C 0.9400(3) 0.79205(10) 0.74608(17) 0.0458(7) Uani 1 1 d . . . . .
H41 H 0.9896 0.8081 0.7124 0.055 Uiso 1 1 calc R . . . .
C42 C 0.8818(3) 0.81667(10) 0.80006(19) 0.0509(7) Uani 1 1 d . . . . .
H42 H 0.8910 0.8497 0.8035 0.061 Uiso 1 1 calc R . . . .
C43 C 0.8102(3) 0.79349(10) 0.8491(2) 0.0506(7) Uani 1 1 d . . . . .
H43 H 0.7699 0.8107 0.8860 0.061 Uiso 1 1 calc R . . . .
C44 C 0.7966(3) 0.74464(9) 0.84481(17) 0.0388(5) Uani 1 1 d . . . . .
H44 H 0.7486 0.7287 0.8794 0.047 Uiso 1 1 calc R . . . .
C45 C 0.9777(2) 0.63582(8) 0.81334(14) 0.0270(4) Uani 1 1 d . . . . .
C46 C 1.0792(2) 0.63900(11) 0.77030(17) 0.0383(5) Uani 1 1 d . . . . .
H46 H 1.0724 0.6502 0.7208 0.046 Uiso 1 1 calc R . . . .
C47 C 1.1898(3) 0.62593(12) 0.7993(2) 0.0526(8) Uani 1 1 d . . . . .
H47 H 1.2581 0.6269 0.7692 0.063 Uiso 1 1 calc R . . . .
C48 C 1.2009(3) 0.61134(12) 0.8726(2) 0.0524(8) Uani 1 1 d . . . . .
H48 H 1.2772 0.6033 0.8929 0.063 Uiso 1 1 calc R . . . .
C49 C 1.1013(3) 0.60848(10) 0.91586(17) 0.0432(6) Uani 1 1 d . . . . .
H49 H 1.1090 0.5985 0.9659 0.052 Uiso 1 1 calc R . . . .
C50 C 0.9896(2) 0.62026(9) 0.88627(15) 0.0339(5) Uani 1 1 d . . . . .
H50 H 0.9210 0.6177 0.9160 0.041 Uiso 1 1 calc R . . . .
C51 C 0.72568(19) 0.63847(8) 0.84557(12) 0.0254(4) Uani 1 1 d . . . . .
H51A H 0.7094 0.6636 0.8818 0.030 Uiso 1 1 calc R . . . .
H51B H 0.7491 0.6092 0.8716 0.030 Uiso 1 1 calc R . . . .
C52 C 0.4957(2) 0.67727(8) 0.79180(13) 0.0279(4) Uani 1 1 d . . . . .
C53 C 0.4810(3) 0.69813(11) 0.86012(15) 0.0407(6) Uani 1 1 d . . . . .
H53 H 0.5278 0.6881 0.9017 0.049 Uiso 1 1 calc R . . . .
C54 C 0.3977(3) 0.73376(13) 0.86783(18) 0.0536(8) Uani 1 1 d . . . . .
H54 H 0.3879 0.7483 0.9146 0.064 Uiso 1 1 calc R . . . .
C55 C 0.3289(3) 0.74803(12) 0.80715(19) 0.0530(8) Uani 1 1 d . . . . .
H55 H 0.2735 0.7730 0.8122 0.064 Uiso 1 1 calc R . . . .
C56 C 0.3402(3) 0.72633(11) 0.74002(17) 0.0429(6) Uani 1 1 d . . . . .
H56 H 0.2909 0.7355 0.6991 0.051 Uiso 1 1 calc R . . . .
C57 C 0.4238(2) 0.69086(9) 0.73186(15) 0.0345(5) Uani 1 1 d . . . . .
H57 H 0.4318 0.6759 0.6853 0.041 Uiso 1 1 calc R . . . .
C58 C 0.51915(19) 0.58040(8) 0.81567(14) 0.0278(4) Uani 1 1 d . . . . .
C59 C 0.5184(2) 0.57349(10) 0.89235(16) 0.0370(5) Uani 1 1 d . . . . .
H59 H 0.5615 0.5942 0.9243 0.044 Uiso 1 1 calc R . . . .
C60 C 0.4548(3) 0.53632(11) 0.92180(19) 0.0463(7) Uani 1 1 d . . . . .
H60 H 0.4538 0.5320 0.9739 0.056 Uiso 1 1 calc R . . . .
C61 C 0.3937(3) 0.50602(12) 0.8762(2) 0.0580(9) Uani 1 1 d . . . . .
H61 H 0.3525 0.4800 0.8965 0.070 Uiso 1 1 calc R . . . .
C62 C 0.3920(4) 0.51326(14) 0.8007(2) 0.0658(10) Uani 1 1 d . . . . .
H62 H 0.3484 0.4924 0.7692 0.079 Uiso 1 1 calc R . . . .
C63 C 0.4533(3) 0.55076(11) 0.76987(17) 0.0449(6) Uani 1 1 d . . . . .
H63 H 0.4500 0.5559 0.7179 0.054 Uiso 1 1 calc R . . . .
C64 C 0.2369(3) 0.86812(11) 0.65142(17) 0.0439(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os01 Cl1 2.4926(6) . ?
Os01 P1 2.3944(5) . ?
Os01 P2 2.3681(6) . ?
Os01 P3 2.3191(5) . ?
Os01 P4 2.3613(6) . ?
Os01 C1 2.131(2) . ?
S1 O2 1.421(3) . ?
S1 O3 1.437(3) . ?
S1 O4 1.419(2) . ?
S1 C64 1.822(3) . ?
P1 C14 1.840(2) . ?
P1 C20 1.835(2) . ?
P1 C26 1.855(2) . ?
P2 C26 1.841(2) . ?
P2 C27 1.847(3) . ?
P2 C33 1.834(3) . ?
P3 C39 1.832(2) . ?
P3 C45 1.832(2) . ?
P3 C51 1.836(2) . ?
P4 C51 1.836(2) . ?
P4 C52 1.825(2) . ?
P4 C58 1.824(2) . ?
F1 C64 1.317(4) . ?
F2 C64 1.312(4) . ?
F3 C64 1.324(5) . ?
O1 H1 0.8400 . ?
O1 C3 1.426(3) . ?
N1 C1 1.510(3) . ?
N1 C4 1.363(3) . ?
N1 C8 1.337(4) . ?
N2 C9 1.336(4) . ?
N2 C13 1.345(5) . ?
C1 C2 1.334(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.509(3) . ?
C3 C4 1.496(4) . ?
C3 C9 1.527(4) . ?
C4 C5 1.371(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.381(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.383(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.394(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.360(8) . ?
C12 H12 0.9500 . ?
C12 C13 1.377(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(4) . ?
C14 C19 1.387(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.390(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.357(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.370(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.384(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.389(4) . ?
C20 C25 1.394(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.392(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.388(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.371(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(4) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.387(4) . ?
C27 C32 1.399(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.394(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.377(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.378(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.384(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.392(4) . ?
C33 C38 1.390(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.398(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.381(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.377(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.397(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.391(4) . ?
C39 C44 1.394(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.393(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.378(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.377(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.403(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.395(4) . ?
C45 C50 1.393(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.386(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.390(6) . ?
C48 H48 0.9500 . ?
C48 C49 1.379(5) . ?
C49 H49 0.9500 . ?
C49 C50 1.391(4) . ?
C50 H50 0.9500 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.383(4) . ?
C52 C57 1.390(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.389(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.386(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.370(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.388(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.399(4) . ?
C58 C63 1.383(4) . ?
C59 H59 0.9500 . ?
C59 C60 1.390(4) . ?
C60 H60 0.9500 . ?
C60 C61 1.366(5) . ?
C61 H61 0.9500 . ?
C61 C62 1.380(6) . ?
C62 H62 0.9500 . ?
C62 C63 1.394(5) . ?
C63 H63 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Os01 Cl1 96.20(2) . . ?
P2 Os01 Cl1 99.84(2) . . ?
P2 Os01 P1 70.21(2) . . ?
P3 Os01 Cl1 159.65(2) . . ?
P3 Os01 P1 90.908(18) . . ?
P3 Os01 P2 100.513(19) . . ?
P3 Os01 P4 70.497(19) . . ?
P4 Os01 Cl1 89.52(2) . . ?
P4 Os01 P1 99.193(18) . . ?
P4 Os01 P2 166.43(2) . . ?
C1 Os01 Cl1 83.73(6) . . ?
C1 Os01 P1 166.90(7) . . ?
C1 Os01 P2 96.85(7) . . ?
C1 Os01 P3 93.59(6) . . ?
C1 Os01 P4 93.91(7) . . ?
O2 S1 O3 113.9(2) . . ?
O2 S1 C64 103.55(15) . . ?
O3 S1 C64 102.98(16) . . ?
O4 S1 O2 115.8(2) . . ?
O4 S1 O3 113.88(18) . . ?
O4 S1 C64 104.68(15) . . ?
C14 P1 Os01 124.05(8) . . ?
C14 P1 C26 103.08(12) . . ?
C20 P1 Os01 127.44(8) . . ?
C20 P1 C14 98.96(11) . . ?
C20 P1 C26 104.58(12) . . ?
C26 P1 Os01 94.34(8) . . ?
C26 P2 Os01 95.58(8) . . ?
C26 P2 C27 102.91(12) . . ?
C27 P2 Os01 123.73(9) . . ?
C33 P2 Os01 124.34(8) . . ?
C33 P2 C26 107.17(12) . . ?
C33 P2 C27 100.03(12) . . ?
C39 P3 Os01 121.13(7) . . ?
C39 P3 C51 105.09(11) . . ?
C45 P3 Os01 127.85(8) . . ?
C45 P3 C39 99.15(11) . . ?
C45 P3 C51 104.39(11) . . ?
C51 P3 Os01 96.04(7) . . ?
C51 P4 Os01 94.61(7) . . ?
C52 P4 Os01 121.79(8) . . ?
C52 P4 C51 107.23(11) . . ?
C58 P4 Os01 125.84(8) . . ?
C58 P4 C51 104.06(11) . . ?
C58 P4 C52 100.50(11) . . ?
C3 O1 H1 109.5 . . ?
C4 N1 C1 111.3(2) . . ?
C8 N1 C1 127.9(2) . . ?
C8 N1 C4 120.8(2) . . ?
C9 N2 C13 116.3(3) . . ?
N1 C1 Os01 122.53(16) . . ?
C2 C1 Os01 133.93(18) . . ?
C2 C1 N1 103.37(19) . . ?
C1 C2 H2 122.3 . . ?
C1 C2 C3 115.4(2) . . ?
C3 C2 H2 122.3 . . ?
O1 C3 C2 108.6(2) . . ?
O1 C3 C4 111.4(2) . . ?
O1 C3 C9 111.5(2) . . ?
C2 C3 C9 112.7(2) . . ?
C4 C3 C2 100.7(2) . . ?
C4 C3 C9 111.5(2) . . ?
N1 C4 C3 109.2(2) . . ?
N1 C4 C5 121.1(3) . . ?
C5 C4 C3 129.7(3) . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.7(3) . . ?
C6 C5 H5 120.7 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.8(3) . . ?
C7 C6 H6 120.1 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 119.9(3) . . ?
C8 C7 H7 120.0 . . ?
N1 C8 C7 119.7(3) . . ?
N1 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
N2 C9 C3 115.7(3) . . ?
N2 C9 C10 124.4(3) . . ?
C10 C9 C3 119.9(3) . . ?
C9 C10 H10 121.2 . . ?
C9 C10 C11 117.7(4) . . ?
C11 C10 H10 121.2 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.0(4) . . ?
C12 C11 H11 120.5 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.3(3) . . ?
C13 C12 H12 120.3 . . ?
N2 C13 C12 123.3(4) . . ?
N2 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
C15 C14 P1 121.7(2) . . ?
C15 C14 C19 117.6(2) . . ?
C19 C14 P1 120.6(2) . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.9(3) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.9(3) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 H19 119.5 . . ?
C18 C19 C14 121.0(3) . . ?
C18 C19 H19 119.5 . . ?
C21 C20 P1 119.1(2) . . ?
C21 C20 C25 118.7(2) . . ?
C25 C20 P1 122.1(2) . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.6(3) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.1 . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.9(3) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.6(3) . . ?
C25 C24 H24 119.7 . . ?
C20 C25 H25 119.8 . . ?
C24 C25 C20 120.4(3) . . ?
C24 C25 H25 119.8 . . ?
P1 C26 H26A 112.6 . . ?
P1 C26 H26B 112.6 . . ?
P2 C26 P1 95.63(11) . . ?
P2 C26 H26A 112.6 . . ?
P2 C26 H26B 112.6 . . ?
H26A C26 H26B 110.1 . . ?
C28 C27 P2 119.7(2) . . ?
C28 C27 C32 118.7(3) . . ?
C32 C27 P2 121.5(2) . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.1(3) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.1(3) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 119.9(3) . . ?
C32 C31 H31 120.0 . . ?
C27 C32 H32 119.6 . . ?
C31 C32 C27 120.8(3) . . ?
C31 C32 H32 119.6 . . ?
C34 C33 P2 121.1(2) . . ?
C38 C33 P2 119.0(2) . . ?
C38 C33 C34 119.8(3) . . ?
C33 C34 H34 120.3 . . ?
C33 C34 C35 119.5(3) . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.1(3) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.7(3) . . ?
C37 C36 H36 119.7 . . ?
C36 C37 H37 120.2 . . ?
C36 C37 C38 119.6(3) . . ?
C38 C37 H37 120.2 . . ?
C33 C38 C37 120.2(3) . . ?
C33 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 P3 118.15(19) . . ?
C40 C39 C44 118.8(2) . . ?
C44 C39 P3 123.0(2) . . ?
C39 C40 H40 119.5 . . ?
C39 C40 C41 121.0(3) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(3) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 119.9 . . ?
C43 C42 C41 120.2(3) . . ?
C43 C42 H42 119.9 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.3(3) . . ?
C44 C43 H43 119.8 . . ?
C39 C44 C43 119.9(3) . . ?
C39 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C46 C45 P3 119.81(19) . . ?
C50 C45 P3 120.94(19) . . ?
C50 C45 C46 119.1(2) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.3(3) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 120.0 . . ?
C46 C47 C48 120.0(3) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C49 C48 C47 120.1(3) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.1(3) . . ?
C50 C49 H49 120.0 . . ?
C45 C50 H50 119.8 . . ?
C49 C50 C45 120.4(3) . . ?
C49 C50 H50 119.8 . . ?
P3 C51 P4 94.72(11) . . ?
P3 C51 H51A 112.8 . . ?
P3 C51 H51B 112.8 . . ?
P4 C51 H51A 112.8 . . ?
P4 C51 H51B 112.8 . . ?
H51A C51 H51B 110.2 . . ?
C53 C52 P4 122.00(19) . . ?
C53 C52 C57 119.7(2) . . ?
C57 C52 P4 118.19(19) . . ?
C52 C53 H53 120.1 . . ?
C52 C53 C54 119.9(3) . . ?
C54 C53 H53 120.1 . . ?
C53 C54 H54 120.1 . . ?
C55 C54 C53 119.9(3) . . ?
C55 C54 H54 120.1 . . ?
C54 C55 H55 119.8 . . ?
C56 C55 C54 120.4(3) . . ?
C56 C55 H55 119.8 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 120.0(3) . . ?
C57 C56 H56 120.0 . . ?
C52 C57 H57 120.0 . . ?
C56 C57 C52 120.1(3) . . ?
C56 C57 H57 120.0 . . ?
C59 C58 P4 119.28(19) . . ?
C63 C58 P4 121.3(2) . . ?
C63 C58 C59 119.4(2) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 C58 120.1(3) . . ?
C60 C59 H59 120.0 . . ?
C59 C60 H60 119.8 . . ?
C61 C60 C59 120.4(3) . . ?
C61 C60 H60 119.8 . . ?
C60 C61 H61 120.1 . . ?
C60 C61 C62 119.8(3) . . ?
C62 C61 H61 120.1 . . ?
C61 C62 H62 119.5 . . ?
C61 C62 C63 120.9(3) . . ?
C63 C62 H62 119.5 . . ?
C58 C63 C62 119.4(3) . . ?
C58 C63 H63 120.3 . . ?
C62 C63 H63 120.3 . . ?
F1 C64 S1 111.8(2) . . ?
F1 C64 F3 106.6(3) . . ?
F2 C64 S1 112.3(2) . . ?
F2 C64 F1 106.9(3) . . ?
F2 C64 F3 109.2(3) . . ?
F3 C64 S1 109.8(3) . . ?

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

data_complex-3-OTf
_database_code_depnum_ccdc_archive 'CCDC 1911632'
loop_
_audit_author_name
_audit_author_address
'Chun-Yuen Wong'
;City University of Hong Kong
Hong Kong
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-05-14 downloaded from the CCDC.
;
_audit_creation_date             2019-04-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H54 Cl N2 O Os P4, C F3 O3 S'
_chemical_formula_sum            'C64 H54 Cl F3 N2 O4 Os P4 S'
_chemical_formula_weight         1353.68
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   11.2150(6)
_cell_length_b                   28.5467(12)
_cell_length_c                   18.0657(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.401(2)
_cell_angle_gamma                90
_cell_volume                     5782.0(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    233.0(2)
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.459
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            49420
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.381
_diffrn_reflns_theta_min         2.276
_diffrn_ambient_temperature      233.0(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro focus'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9803
_reflns_number_total             11804
_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       'Bruker Saint'
_computing_data_collection       'Bruker Apex3'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         11804
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0272
_refine_ls_restrained_S_all      0.991
_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)+(0.0345P)²+2.6218P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0618
_refine_ls_wR_factor_ref         0.0673
_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.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31), C32(H32),
 C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41), C42(H42),
  C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49), C50(H50),
 C51(H51), C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C59(H59), C60(H60),
  C61(H61), C62(H62), C63(H63)
2.c Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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 0.72744(2) 0.62723(2) 0.67444(2) 0.02341(4) Uani 1 1 d . . . . .
Cl1 Cl 0.55427(8) 0.60095(3) 0.59606(5) 0.0438(2) Uani 1 1 d . . . . .
P1 P 0.81245(8) 0.55107(2) 0.69260(4) 0.02765(17) Uani 1 1 d . . . . .
P2 P 0.88302(8) 0.61537(3) 0.59021(4) 0.02934(17) Uani 1 1 d . . . . .
P3 P 0.83437(7) 0.65615(2) 0.77590(4) 0.02357(16) Uani 1 1 d . . . . .
P4 P 0.60332(7) 0.62977(2) 0.77808(4) 0.02378(15) Uani 1 1 d . . . . .
O1 O 0.4894(2) 0.78674(9) 0.63939(17) 0.0576(7) Uani 1 1 d . . . . .
H1 H 0.461835 0.806087 0.609259 0.086 Uiso 1 1 calc GR . . . .
N1 N 0.6473(3) 0.70553(9) 0.55575(15) 0.0362(6) Uani 1 1 d . . . . .
N2 N 0.7839(3) 0.81419(11) 0.5777(2) 0.0575(9) Uani 1 1 d . . . . .
C1 C 0.6768(3) 0.69511(10) 0.63626(17) 0.0303(7) Uani 1 1 d . . . . .
C2 C 0.6514(3) 0.73531(10) 0.66977(18) 0.0342(7) Uani 1 1 d . . . . .
H2 H 0.660024 0.739164 0.721293 0.041 Uiso 1 1 calc R . . . .
C3 C 0.6077(3) 0.77436(11) 0.6194(2) 0.0420(8) Uani 1 1 d . . . . .
C4 C 0.6081(3) 0.75059(12) 0.5461(2) 0.0428(8) Uani 1 1 d . . . . .
C5 C 0.5761(4) 0.76692(14) 0.4777(2) 0.0541(10) Uani 1 1 d . . . . .
H5 H 0.548146 0.797741 0.471438 0.065 Uiso 1 1 calc R . . . .
C6 C 0.5855(4) 0.73736(15) 0.4176(2) 0.0608(12) Uani 1 1 d . . . . .
H6 H 0.564987 0.748092 0.369749 0.073 Uiso 1 1 calc R . . . .
C7 C 0.6249(4) 0.69232(14) 0.4279(2) 0.0519(10) Uani 1 1 d . . . . .
H7 H 0.631405 0.672131 0.387055 0.062 Uiso 1 1 calc R . . . .
C8 C 0.6551(3) 0.67661(13) 0.49805(19) 0.0422(8) Uani 1 1 d . . . . .
H8 H 0.681059 0.645595 0.505216 0.051 Uiso 1 1 calc R . . . .
C9 C 0.6902(4) 0.81704(12) 0.6215(2) 0.0471(9) Uani 1 1 d . . . . .
C10 C 0.6663(5) 0.85453(13) 0.6670(3) 0.0666(13) Uani 1 1 d . . . . .
H10 H 0.598364 0.854790 0.696473 0.080 Uiso 1 1 calc R . . . .
C11 C 0.7449(6) 0.89147(16) 0.6679(3) 0.0863(17) Uani 1 1 d . . . . .
H11 H 0.732359 0.917349 0.698948 0.104 Uiso 1 1 calc R . . . .
C12 C 0.8415(6) 0.89020(17) 0.6233(4) 0.0901(19) Uani 1 1 d . . . . .
H12 H 0.895371 0.915413 0.622612 0.108 Uiso 1 1 calc R . . . .
C13 C 0.8589(5) 0.85154(18) 0.5794(3) 0.0804(16) Uani 1 1 d . . . . .
H13 H 0.925816 0.850963 0.549097 0.096 Uiso 1 1 calc R . . . .
C14 C 0.9453(3) 0.56384(10) 0.63756(17) 0.0331(7) Uani 1 1 d . . . . .
H14A H 1.015548 0.571369 0.668600 0.040 Uiso 1 1 calc R . . . .
H14B H 0.963984 0.538461 0.603205 0.040 Uiso 1 1 calc R . . . .
C15 C 0.7263(3) 0.63821(10) 0.84479(16) 0.0267(6) Uani 1 1 d . . . . .
H15A H 0.749295 0.609206 0.870392 0.032 Uiso 1 1 calc R . . . .
H15B H 0.710240 0.662927 0.880856 0.032 Uiso 1 1 calc R . . . .
C16 C 0.7523(3) 0.49715(10) 0.65001(17) 0.0320(7) Uani 1 1 d . . . . .
C17 C 0.6328(4) 0.49211(13) 0.6336(3) 0.0597(12) Uani 1 1 d . . . . .
H17 H 0.579553 0.515894 0.647052 0.072 Uiso 1 1 calc R . . . .
C18 C 0.5892(4) 0.45237(14) 0.5974(3) 0.0760(15) Uani 1 1 d . . . . .
H18 H 0.507376 0.449782 0.585743 0.091 Uiso 1 1 calc R . . . .
C19 C 0.6647(4) 0.41743(13) 0.5791(2) 0.0602(12) Uani 1 1 d . . . . .
H19 H 0.635434 0.390675 0.554311 0.072 Uiso 1 1 calc R . . . .
C20 C 0.7831(4) 0.42122(13) 0.5966(2) 0.0600(12) Uani 1 1 d . . . . .
H20 H 0.835382 0.396805 0.584562 0.072 Uiso 1 1 calc R . . . .
C21 C 0.8268(4) 0.46074(12) 0.6321(2) 0.0498(10) Uani 1 1 d . . . . .
H21 H 0.908611 0.462804 0.644250 0.060 Uiso 1 1 calc R . . . .
C22 C 0.8717(3) 0.52588(10) 0.77932(17) 0.0321(7) Uani 1 1 d . . . . .
C23 C 0.9903(3) 0.51283(11) 0.7886(2) 0.0428(8) Uani 1 1 d . . . . .
H23 H 1.044096 0.518790 0.750695 0.051 Uiso 1 1 calc R . . . .
C24 C 1.0304(4) 0.49106(13) 0.8533(2) 0.0564(11) Uani 1 1 d . . . . .
H24 H 1.110547 0.481705 0.858621 0.068 Uiso 1 1 calc R . . . .
C25 C 0.9525(5) 0.48328(13) 0.9094(2) 0.0582(12) Uani 1 1 d . . . . .
H25 H 0.979560 0.468599 0.953252 0.070 Uiso 1 1 calc R . . . .
C26 C 0.8356(4) 0.49672(12) 0.9021(2) 0.0530(11) Uani 1 1 d . . . . .
H26 H 0.783317 0.492104 0.941311 0.064 Uiso 1 1 calc R . . . .
C27 C 0.7940(4) 0.51730(11) 0.83617(19) 0.0414(8) Uani 1 1 d . . . . .
H27 H 0.713059 0.525340 0.830400 0.050 Uiso 1 1 calc R . . . .
C28 C 0.8584(3) 0.59459(12) 0.49438(17) 0.0368(8) Uani 1 1 d . . . . .
C29 C 0.7937(4) 0.55413(13) 0.4809(2) 0.0521(10) Uani 1 1 d . . . . .
H29 H 0.763038 0.537171 0.520774 0.062 Uiso 1 1 calc R . . . .
C30 C 0.7736(4) 0.53826(15) 0.4087(2) 0.0628(12) Uani 1 1 d . . . . .
H30 H 0.730900 0.510395 0.399950 0.075 Uiso 1 1 calc R . . . .
C31 C 0.8166(4) 0.56358(17) 0.3506(2) 0.0627(12) Uani 1 1 d . . . . .
H31 H 0.802869 0.552886 0.301906 0.075 Uiso 1 1 calc R . . . .
C32 C 0.8788(4) 0.60397(18) 0.3624(2) 0.0634(12) Uani 1 1 d . . . . .
H32 H 0.907052 0.621157 0.322062 0.076 Uiso 1 1 calc R . . . .
C33 C 0.9001(4) 0.61964(14) 0.4340(2) 0.0517(10) Uani 1 1 d . . . . .
H33 H 0.943311 0.647482 0.442053 0.062 Uiso 1 1 calc R . . . .
C34 C 1.0057(3) 0.65620(11) 0.57662(16) 0.0341(7) Uani 1 1 d . . . . .
C35 C 1.1231(3) 0.64118(13) 0.5727(2) 0.0448(9) Uani 1 1 d . . . . .
H35 H 1.140952 0.609195 0.578459 0.054 Uiso 1 1 calc R . . . .
C36 C 1.2147(4) 0.67293(16) 0.5605(2) 0.0563(11) Uani 1 1 d . . . . .
H36 H 1.294269 0.662633 0.559317 0.068 Uiso 1 1 calc R . . . .
C37 C 1.1877(4) 0.71966(15) 0.5501(2) 0.0575(11) Uani 1 1 d . . . . .
H37 H 1.249254 0.741103 0.540990 0.069 Uiso 1 1 calc R . . . .
C38 C 1.0727(4) 0.73514(13) 0.5528(2) 0.0538(11) Uani 1 1 d . . . . .
H38 H 1.055532 0.767070 0.545561 0.065 Uiso 1 1 calc R . . . .
C39 C 0.9808(4) 0.70379(11) 0.56632(18) 0.0418(8) Uani 1 1 d . . . . .
H39 H 0.901850 0.714616 0.568528 0.050 Uiso 1 1 calc R . . . .
C40 C 0.8537(3) 0.71931(10) 0.78927(16) 0.0288(7) Uani 1 1 d . . . . .
C41 C 0.9260(3) 0.74339(11) 0.74102(18) 0.0381(8) Uani 1 1 d . . . . .
H41 H 0.965499 0.726801 0.703962 0.046 Uiso 1 1 calc R . . . .
C42 C 0.9410(4) 0.79157(12) 0.7465(2) 0.0515(10) Uani 1 1 d . . . . .
H42 H 0.990898 0.807367 0.713717 0.062 Uiso 1 1 calc R . . . .
C43 C 0.8825(4) 0.81588(12) 0.7998(2) 0.0573(11) Uani 1 1 d . . . . .
H43 H 0.891343 0.848563 0.803145 0.069 Uiso 1 1 calc R . . . .
C44 C 0.8113(4) 0.79289(12) 0.8485(2) 0.0557(11) Uani 1 1 d . . . . .
H44 H 0.771662 0.809842 0.885122 0.067 Uiso 1 1 calc R . . . .
C45 C 0.7974(3) 0.74462(11) 0.8440(2) 0.0428(9) Uani 1 1 d . . . . .
H45 H 0.749625 0.728985 0.878137 0.051 Uiso 1 1 calc R . . . .
C46 C 0.9782(3) 0.63588(9) 0.81355(17) 0.0282(6) Uani 1 1 d . . . . .
C47 C 0.9911(3) 0.62052(11) 0.88624(18) 0.0348(7) Uani 1 1 d . . . . .
H47 H 0.923621 0.618034 0.915868 0.042 Uiso 1 1 calc R . . . .
C48 C 1.1019(3) 0.60889(12) 0.9153(2) 0.0468(9) Uani 1 1 d . . . . .
H48 H 1.109434 0.598767 0.964667 0.056 Uiso 1 1 calc R . . . .
C49 C 1.2002(4) 0.61190(14) 0.8732(3) 0.0554(11) Uani 1 1 d . . . . .
H49 H 1.275553 0.604031 0.893465 0.066 Uiso 1 1 calc R . . . .
C50 C 1.1890(3) 0.62657(13) 0.8006(3) 0.0584(11) Uani 1 1 d . . . . .
H50 H 1.256735 0.628026 0.771110 0.070 Uiso 1 1 calc R . . . .
C51 C 1.0797(3) 0.63903(12) 0.7713(2) 0.0409(8) Uani 1 1 d . . . . .
H51 H 1.073428 0.649806 0.722222 0.049 Uiso 1 1 calc R . . . .
C52 C 0.4975(3) 0.67709(10) 0.79164(16) 0.0280(6) Uani 1 1 d . . . . .
C53 C 0.4256(3) 0.69110(11) 0.73215(19) 0.0375(8) Uani 1 1 d . . . . .
H53 H 0.433670 0.676573 0.685851 0.045 Uiso 1 1 calc R . . . .
C54 C 0.3421(3) 0.72625(13) 0.7403(2) 0.0487(9) Uani 1 1 d . . . . .
H54 H 0.293355 0.735391 0.699797 0.058 Uiso 1 1 calc R . . . .
C55 C 0.3306(4) 0.74765(14) 0.8073(2) 0.0600(11) Uani 1 1 d . . . . .
H55 H 0.275063 0.771996 0.812620 0.072 Uiso 1 1 calc R . . . .
C56 C 0.4001(4) 0.73370(14) 0.8671(2) 0.0599(12) Uani 1 1 d . . . . .
H56 H 0.391308 0.748453 0.913217 0.072 Uiso 1 1 calc R . . . .
C57 C 0.4825(3) 0.69824(12) 0.86000(19) 0.0421(8) Uani 1 1 d . . . . .
H57 H 0.528433 0.688391 0.901352 0.051 Uiso 1 1 calc R . . . .
C58 C 0.5191(3) 0.58048(10) 0.81505(17) 0.0295(7) Uani 1 1 d . . . . .
C59 C 0.4536(4) 0.55124(13) 0.7689(2) 0.0506(10) Uani 1 1 d . . . . .
H59 H 0.450377 0.556432 0.717509 0.061 Uiso 1 1 calc R . . . .
C60 C 0.3928(5) 0.51403(15) 0.7996(3) 0.0744(15) Uani 1 1 d . . . . .
H60 H 0.349889 0.493458 0.768320 0.089 Uiso 1 1 calc R . . . .
C61 C 0.3936(4) 0.50653(14) 0.8742(3) 0.0648(13) Uani 1 1 d . . . . .
H61 H 0.351919 0.480986 0.893802 0.078 Uiso 1 1 calc R . . . .
C62 C 0.4550(4) 0.53615(13) 0.9201(2) 0.0521(10) Uani 1 1 d . . . . .
H62 H 0.453800 0.531655 0.971578 0.062 Uiso 1 1 calc R . . . .
C63 C 0.5193(3) 0.57295(12) 0.89098(19) 0.0389(8) Uani 1 1 d . . . . .
H63 H 0.563220 0.592905 0.922771 0.047 Uiso 1 1 calc R . . . .
S1 S 0.25610(9) 0.86969(3) 0.55202(5) 0.0386(2) Uani 1 1 d . . . . .
F1 F 0.2253(3) 0.82520(10) 0.67614(14) 0.0870(10) Uani 1 1 d . . . . .
F2 F 0.3307(4) 0.88604(14) 0.68533(16) 0.1230(14) Uani 1 1 d . . . . .
F3 F 0.1424(3) 0.89107(11) 0.67141(16) 0.1029(12) Uani 1 1 d . . . . .
O2 O 0.3611(3) 0.84332(14) 0.54178(18) 0.0980(14) Uani 1 1 d . . . . .
O3 O 0.1508(3) 0.84721(12) 0.52378(17) 0.0845(11) Uani 1 1 d . . . . .
O4 O 0.2634(3) 0.91768(9) 0.53429(16) 0.0672(8) Uani 1 1 d . . . . .
C64 C 0.2369(4) 0.86777(13) 0.6506(2) 0.0499(10) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 Cl1 2.4910(9) . ?
Os1 P1 2.3933(7) . ?
Os1 P2 2.3673(8) . ?
Os1 P3 2.3177(8) . ?
Os1 P4 2.3615(8) . ?
Os1 C1 2.129(3) . ?
P1 C14 1.847(3) . ?
P1 C16 1.841(3) . ?
P1 C22 1.834(3) . ?
P2 C14 1.832(3) . ?
P2 C28 1.844(3) . ?
P2 C34 1.824(3) . ?
P3 P4 2.6996(11) . ?
P3 C15 1.831(3) . ?
P3 C40 1.831(3) . ?
P3 C46 1.829(3) . ?
P4 C15 1.825(3) . ?
P4 C52 1.819(3) . ?
P4 C58 1.830(3) . ?
O1 H1 0.8300 . ?
O1 C3 1.427(4) . ?
N1 C1 1.513(4) . ?
N1 C4 1.369(4) . ?
N1 C8 1.334(4) . ?
N2 C9 1.334(5) . ?
N2 C13 1.358(6) . ?
C1 C2 1.332(4) . ?
C2 H2 0.9400 . ?
C2 C3 1.512(4) . ?
C3 C4 1.489(5) . ?
C3 C9 1.530(5) . ?
C4 C5 1.361(5) . ?
C5 H5 0.9400 . ?
C5 C6 1.381(6) . ?
C6 H6 0.9400 . ?
C6 C7 1.371(5) . ?
C7 H7 0.9400 . ?
C7 C8 1.379(5) . ?
C8 H8 0.9400 . ?
C9 C10 1.380(6) . ?
C10 H10 0.9400 . ?
C10 C11 1.374(7) . ?
C11 H11 0.9400 . ?
C11 C12 1.367(8) . ?
C12 H12 0.9400 . ?
C12 C13 1.376(8) . ?
C13 H13 0.9400 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C16 C17 1.373(5) . ?
C16 C21 1.376(5) . ?
C17 H17 0.9400 . ?
C17 C18 1.392(5) . ?
C18 H18 0.9400 . ?
C18 C19 1.354(6) . ?
C19 H19 0.9400 . ?
C19 C20 1.362(6) . ?
C20 H20 0.9400 . ?
C20 C21 1.382(5) . ?
C21 H21 0.9400 . ?
C22 C23 1.387(5) . ?
C22 C27 1.385(5) . ?
C23 H23 0.9400 . ?
C23 C24 1.388(5) . ?
C24 H24 0.9400 . ?
C24 C25 1.373(6) . ?
C25 H25 0.9400 . ?
C25 C26 1.369(6) . ?
C26 H26 0.9400 . ?
C26 C27 1.397(5) . ?
C27 H27 0.9400 . ?
C28 C29 1.382(5) . ?
C28 C33 1.395(5) . ?
C29 H29 0.9400 . ?
C29 C30 1.393(5) . ?
C30 H30 0.9400 . ?
C30 C31 1.372(6) . ?
C31 H31 0.9400 . ?
C31 C32 1.362(6) . ?
C32 H32 0.9400 . ?
C32 C33 1.384(5) . ?
C33 H33 0.9400 . ?
C34 C35 1.389(5) . ?
C34 C39 1.398(5) . ?
C35 H35 0.9400 . ?
C35 C36 1.392(5) . ?
C36 H36 0.9400 . ?
C36 C37 1.380(6) . ?
C37 H37 0.9400 . ?
C37 C38 1.366(6) . ?
C38 H38 0.9400 . ?
C38 C39 1.390(5) . ?
C39 H39 0.9400 . ?
C40 C41 1.387(4) . ?
C40 C45 1.388(4) . ?
C41 H41 0.9400 . ?
C41 C42 1.389(5) . ?
C42 H42 0.9400 . ?
C42 C43 1.368(6) . ?
C43 H43 0.9400 . ?
C43 C44 1.370(6) . ?
C44 H44 0.9400 . ?
C44 C45 1.389(5) . ?
C45 H45 0.9400 . ?
C46 C47 1.389(4) . ?
C46 C51 1.389(5) . ?
C47 H47 0.9400 . ?
C47 C48 1.377(5) . ?
C48 H48 0.9400 . ?
C48 C49 1.357(6) . ?
C49 H49 0.9400 . ?
C49 C50 1.379(6) . ?
C50 H50 0.9400 . ?
C50 C51 1.370(5) . ?
C51 H51 0.9400 . ?
C52 C53 1.387(4) . ?
C52 C57 1.389(4) . ?
C53 H53 0.9400 . ?
C53 C54 1.383(5) . ?
C54 H54 0.9400 . ?
C54 C55 1.365(5) . ?
C55 H55 0.9400 . ?
C55 C56 1.375(6) . ?
C56 H56 0.9400 . ?
C56 C57 1.379(5) . ?
C57 H57 0.9400 . ?
C58 C59 1.378(5) . ?
C58 C63 1.388(4) . ?
C59 H59 0.9400 . ?
C59 C60 1.386(5) . ?
C60 H60 0.9400 . ?
C60 C61 1.364(6) . ?
C61 H61 0.9400 . ?
C61 C62 1.359(6) . ?
C62 H62 0.9400 . ?
C62 C63 1.385(5) . ?
C63 H63 0.9400 . ?
S1 O2 1.414(3) . ?
S1 O3 1.427(3) . ?
S1 O4 1.410(3) . ?
S1 C64 1.800(4) . ?
F1 C64 1.307(4) . ?
F2 C64 1.319(5) . ?
F3 C64 1.314(5) . ?

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 96.13(3) . . ?
P2 Os1 Cl1 99.69(3) . . ?
P2 Os1 P1 70.18(3) . . ?
P3 Os1 Cl1 159.71(3) . . ?
P3 Os1 P1 91.06(3) . . ?
P3 Os1 P2 100.61(3) . . ?
P3 Os1 P4 70.46(3) . . ?
P4 Os1 Cl1 89.62(3) . . ?
P4 Os1 P1 99.19(3) . . ?
P4 Os1 P2 166.43(3) . . ?
C1 Os1 Cl1 83.79(9) . . ?
C1 Os1 P1 166.73(9) . . ?
C1 Os1 P2 96.71(9) . . ?
C1 Os1 P3 93.48(9) . . ?
C1 Os1 P4 94.08(9) . . ?
C14 P1 Os1 94.05(10) . . ?
C16 P1 Os1 124.16(11) . . ?
C16 P1 C14 103.40(15) . . ?
C22 P1 Os1 127.46(10) . . ?
C22 P1 C14 104.89(15) . . ?
C22 P1 C16 98.66(14) . . ?
C14 P2 Os1 95.34(10) . . ?
C14 P2 C28 103.10(15) . . ?
C28 P2 Os1 123.60(12) . . ?
C34 P2 Os1 124.42(10) . . ?
C34 P2 C14 107.22(16) . . ?
C34 P2 C28 100.10(15) . . ?
Os1 P3 P4 55.53(2) . . ?
C15 P3 Os1 95.72(10) . . ?
C15 P3 P4 42.32(10) . . ?
C15 P3 C40 105.30(14) . . ?
C40 P3 Os1 120.82(10) . . ?
C40 P3 P4 112.54(11) . . ?
C46 P3 Os1 128.02(10) . . ?
C46 P3 P4 138.11(10) . . ?
C46 P3 C15 104.55(14) . . ?
C46 P3 C40 99.30(14) . . ?
Os1 P4 P3 54.01(2) . . ?
C15 P4 Os1 94.42(10) . . ?
C15 P4 P3 42.50(9) . . ?
C15 P4 C58 104.43(14) . . ?
C52 P4 Os1 121.92(10) . . ?
C52 P4 P3 115.12(10) . . ?
C52 P4 C15 107.34(14) . . ?
C52 P4 C58 100.22(14) . . ?
C58 P4 Os1 125.83(10) . . ?
C58 P4 P3 136.40(10) . . ?
C3 O1 H1 109.5 . . ?
C4 N1 C1 111.6(3) . . ?
C8 N1 C1 127.8(3) . . ?
C8 N1 C4 120.6(3) . . ?
C9 N2 C13 115.8(4) . . ?
N1 C1 Os1 122.7(2) . . ?
C2 C1 Os1 134.1(2) . . ?
C2 C1 N1 102.9(2) . . ?
C1 C2 H2 122.2 . . ?
C1 C2 C3 115.6(3) . . ?
C3 C2 H2 122.2 . . ?
O1 C3 C2 108.7(3) . . ?
O1 C3 C4 111.2(3) . . ?
O1 C3 C9 111.2(3) . . ?
C2 C3 C9 112.7(3) . . ?
C4 C3 C2 101.0(3) . . ?
C4 C3 C9 111.7(3) . . ?
N1 C4 C3 108.9(3) . . ?
C5 C4 N1 120.9(4) . . ?
C5 C4 C3 130.2(3) . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.8(4) . . ?
C6 C5 H5 120.6 . . ?
C5 C6 H6 120.1 . . ?
C7 C6 C5 119.8(4) . . ?
C7 C6 H6 120.1 . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C8 120.1(4) . . ?
C8 C7 H7 120.0 . . ?
N1 C8 C7 119.8(3) . . ?
N1 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
N2 C9 C3 115.0(3) . . ?
N2 C9 C10 124.7(4) . . ?
C10 C9 C3 120.4(4) . . ?
C9 C10 H10 121.0 . . ?
C11 C10 C9 117.9(5) . . ?
C11 C10 H10 121.0 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.3(5) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 120.4 . . ?
C11 C12 C13 119.1(5) . . ?
C13 C12 H12 120.4 . . ?
N2 C13 C12 123.2(5) . . ?
N2 C13 H13 118.4 . . ?
C12 C13 H13 118.4 . . ?
P1 C14 H14A 112.5 . . ?
P1 C14 H14B 112.5 . . ?
P2 C14 P1 96.13(15) . . ?
P2 C14 H14A 112.5 . . ?
P2 C14 H14B 112.5 . . ?
H14A C14 H14B 110.0 . . ?
P3 C15 H15A 112.7 . . ?
P3 C15 H15B 112.7 . . ?
P4 C15 P3 95.18(14) . . ?
P4 C15 H15A 112.7 . . ?
P4 C15 H15B 112.7 . . ?
H15A C15 H15B 110.2 . . ?
C17 C16 P1 121.5(2) . . ?
C17 C16 C21 117.7(3) . . ?
C21 C16 P1 120.7(3) . . ?
C16 C17 H17 119.5 . . ?
C16 C17 C18 121.1(4) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.7(4) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.4(4) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 121.0(4) . . ?
C16 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C23 C22 P1 122.4(3) . . ?
C27 C22 P1 118.8(3) . . ?
C27 C22 C23 118.8(3) . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.8(4) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.6(4) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.6(4) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.9(4) . . ?
C27 C26 H26 120.0 . . ?
C22 C27 C26 120.2(4) . . ?
C22 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 P2 120.0(3) . . ?
C29 C28 C33 118.4(3) . . ?
C33 C28 P2 121.6(3) . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.6(4) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 120.2 . . ?
C31 C30 C29 119.6(4) . . ?
C31 C30 H30 120.2 . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 120.9(4) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.8(4) . . ?
C33 C32 H32 120.1 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.7(4) . . ?
C32 C33 H33 119.6 . . ?
C35 C34 P2 121.9(3) . . ?
C35 C34 C39 118.6(3) . . ?
C39 C34 P2 119.4(3) . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C36 120.8(4) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 120.3 . . ?
C37 C36 C35 119.4(4) . . ?
C37 C36 H36 120.3 . . ?
C36 C37 H37 119.6 . . ?
C38 C37 C36 120.8(4) . . ?
C38 C37 H37 119.6 . . ?
C37 C38 H38 119.9 . . ?
C37 C38 C39 120.2(4) . . ?
C39 C38 H38 119.9 . . ?
C34 C39 H39 119.9 . . ?
C38 C39 C34 120.2(4) . . ?
C38 C39 H39 119.9 . . ?
C41 C40 P3 118.3(2) . . ?
C41 C40 C45 118.2(3) . . ?
C45 C40 P3 123.5(2) . . ?
C40 C41 H41 119.4 . . ?
C40 C41 C42 121.2(3) . . ?
C42 C41 H41 119.4 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.5(4) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.4(3) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.2(4) . . ?
C45 C44 H44 119.9 . . ?
C40 C45 C44 120.4(3) . . ?
C40 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C47 C46 P3 121.4(2) . . ?
C47 C46 C51 118.2(3) . . ?
C51 C46 P3 120.2(3) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 C46 120.5(3) . . ?
C48 C47 H47 119.7 . . ?
C47 C48 H48 119.7 . . ?
C49 C48 C47 120.6(4) . . ?
C49 C48 H48 119.7 . . ?
C48 C49 H49 120.2 . . ?
C48 C49 C50 119.7(4) . . ?
C50 C49 H49 120.2 . . ?
C49 C50 H50 119.8 . . ?
C51 C50 C49 120.4(4) . . ?
C51 C50 H50 119.8 . . ?
C46 C51 H51 119.7 . . ?
C50 C51 C46 120.6(4) . . ?
C50 C51 H51 119.7 . . ?
C53 C52 P4 118.6(2) . . ?
C53 C52 C57 118.9(3) . . ?
C57 C52 P4 122.4(2) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 C52 120.6(3) . . ?
C54 C53 H53 119.7 . . ?
C53 C54 H54 120.1 . . ?
C55 C54 C53 119.9(4) . . ?
C55 C54 H54 120.1 . . ?
C54 C55 H55 119.9 . . ?
C54 C55 C56 120.2(4) . . ?
C56 C55 H55 119.9 . . ?
C55 C56 H56 119.8 . . ?
C55 C56 C57 120.5(4) . . ?
C57 C56 H56 119.8 . . ?
C52 C57 H57 120.0 . . ?
C56 C57 C52 119.9(3) . . ?
C56 C57 H57 120.0 . . ?
C59 C58 P4 121.1(3) . . ?
C59 C58 C63 119.5(3) . . ?
C63 C58 P4 119.4(2) . . ?
C58 C59 H59 120.6 . . ?
C58 C59 C60 118.8(4) . . ?
C60 C59 H59 120.6 . . ?
C59 C60 H60 119.2 . . ?
C61 C60 C59 121.7(4) . . ?
C61 C60 H60 119.2 . . ?
C60 C61 H61 120.2 . . ?
C62 C61 C60 119.7(4) . . ?
C62 C61 H61 120.2 . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.1(4) . . ?
C63 C62 H62 120.0 . . ?
C58 C63 H63 119.9 . . ?
C62 C63 C58 120.3(4) . . ?
C62 C63 H63 119.9 . . ?
O2 S1 O3 113.5(3) . . ?
O2 S1 C64 103.50(19) . . ?
O3 S1 C64 102.8(2) . . ?
O4 S1 O2 115.7(2) . . ?
O4 S1 O3 114.1(2) . . ?
O4 S1 C64 105.28(18) . . ?
F1 C64 S1 113.2(3) . . ?
F1 C64 F2 106.5(4) . . ?
F1 C64 F3 106.4(4) . . ?
F2 C64 S1 110.2(3) . . ?
F3 C64 S1 112.6(3) . . ?
F3 C64 F2 107.6(4) . . ?

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

data_complex-4-ClO4
_database_code_depnum_ccdc_archive 'CCDC 1911631'
loop_
_audit_author_name
_audit_author_address
'Chun-Yuen Wong'
;City University of Hong Kong
Hong Kong
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-05-14 downloaded from the CCDC.
;
_audit_creation_date             2017-06-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H49 Cl N O Os P4, 2(C H2 Cl2), Cl O4'
_chemical_formula_sum            'C60 H53 Cl6 N O5 Os P4'
_chemical_formula_weight         1394.81
_chemical_absolute_configuration unk
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.8030(2)
_cell_length_b                   16.4826(3)
_cell_length_c                   15.1932(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.4180(10)
_cell_angle_gamma                90
_cell_volume                     2937.22(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7097
_cell_measurement_temperature    173.00(14)
_cell_measurement_theta_max      71.5940
_cell_measurement_theta_min      10.3150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.040
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11610
_diffrn_reflns_point_group_measured_fraction_full 0.733
_diffrn_reflns_point_group_measured_fraction_max 0.732
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.251
_diffrn_reflns_theta_min         3.769
_diffrn_ambient_temperature      173.00(14)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage         0.411
_reflns_Friedel_fraction_full    0.446
_reflns_Friedel_fraction_max     0.443
_reflns_number_gt                7734
_reflns_number_total             7874
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.033
_refine_diff_density_min         -0.877
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details 
;
 Flack x determined using 2225 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.016(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     786
_refine_ls_number_reflns         7874
_refine_ls_number_restraints     157
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0276
_refine_ls_restrained_S_all      1.028
_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)+(0.0380P)²+2.8376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0716
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C29A) \\sim Ueq, Uanis(C30A) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C32A)
\\sim Ueq, Uanis(C33A) \\sim Ueq, Uanis(C29B) \\sim Ueq, Uanis(C30B) \\sim Ueq,
Uanis(C32B) \\sim Ueq, Uanis(C33B) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C36)
\\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39) \\sim Ueq:
with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C47A) \\sim Ueq, Uanis(C48A) \\sim Ueq, Uanis(C49A) \\sim Ueq,
Uanis(C50A) \\sim Ueq, Uanis(C51A) \\sim Ueq, Uanis(C52A) \\sim Ueq,
Uanis(C47B) \\sim Ueq, Uanis(C48B) \\sim Ueq, Uanis(C49B) \\sim Ueq,
Uanis(C50B) \\sim Ueq, Uanis(C51B) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma
of 0.02 and sigma for terminal atoms of 0.04
Uanis(C52B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Sof(C29A)=Sof(H29A)=Sof(C30A)=Sof(H30A)=Sof(H31)=Sof(C32A)=Sof(H32A)=
 Sof(C33A)=Sof(H33A)=1-FVAR(1)
 Sof(C29B)=Sof(H29B)=Sof(C30B)=Sof(H30B)=Sof(H31A)=Sof(C32B)=Sof(H32B)=
 Sof(C33B)=Sof(H33B)=FVAR(1)
 Sof(C47B)=Sof(C48B)=Sof(H48B)=Sof(C49B)=Sof(H49B)=Sof(C50B)=Sof(H50B)=
 Sof(C51B)=Sof(H51B)=Sof(C52B)=Sof(H52B)=1-FVAR(2)
 Sof(C47A)=Sof(C48A)=Sof(H48A)=Sof(C49A)=Sof(H49A)=Sof(C50A)=Sof(H50A)=
 Sof(C51A)=Sof(H51A)=Sof(C52A)=Sof(H52A)=FVAR(2)
4.a Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C46(H46A,H46B), C59(H59A,H59B), C60(H60A,H60B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27), C29A(H29A), C29B(H29B), C30A(H30A),
 C30B(H30B), C31(H31A), C31(H31), C32A(H32A), C32B(H32B), C33A(H33A),
 C33B(H33B), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41),
 C42(H42), C43(H43), C44(H44), C45(H45), C48A(H48A), C48B(H48B), C49A(H49A),
 C49B(H49B), C50A(H50A), C50B(H50B), C51A(H51A), C51B(H51B), C52A(H52A),
 C52B(H52B), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58)
;
_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 0.24231(2) 0.48666(3) 0.75466(2) 0.02633(7) Uani 1 1 d . . . . .
Cl1 Cl 0.08419(11) 0.56295(11) 0.67927(9) 0.0363(3) Uani 1 1 d . . . . .
P1 P 0.44875(11) 0.57945(10) 0.66474(9) 0.0271(3) Uani 1 1 d . . . . .
P2 P 0.32718(16) 0.59527(12) 0.82597(12) 0.0284(4) Uani 1 1 d . . . . .
P3 P 0.13135(13) 0.43553(12) 0.86709(9) 0.0345(4) Uani 1 1 d . . . . .
P4 P 0.34211(17) 0.38663(15) 0.83637(13) 0.0378(5) Uani 1 1 d . . . . .
O1 O 0.1813(3) 0.3975(3) 0.6596(3) 0.0321(10) Uani 1 1 d . . . . .
N1 N 0.2332(5) 0.3476(4) 0.4405(4) 0.0488(16) Uani 1 1 d . . . . .
C1 C 0.3425(4) 0.5006(4) 0.6583(3) 0.0248(14) Uani 1 1 d . . . . .
C2 C 0.3243(5) 0.4513(4) 0.5831(3) 0.0295(12) Uani 1 1 d . . . . .
H2 H 0.3675 0.4540 0.5340 0.035 Uiso 1 1 calc R . . . .
C3 C 0.2327(5) 0.3967(4) 0.5899(4) 0.0283(12) Uani 1 1 d . . . . .
C4 C 0.1914(5) 0.3381(4) 0.5189(4) 0.0326(13) Uani 1 1 d . . . . .
C5 C 0.1139(6) 0.2786(5) 0.5346(4) 0.0430(17) Uani 1 1 d . . . . .
H5 H 0.0878 0.2730 0.5912 0.052 Uiso 1 1 calc R . . . .
C6 C 0.0751(7) 0.2271(5) 0.4655(5) 0.055(2) Uani 1 1 d . . . . .
H6 H 0.0221 0.1853 0.4742 0.066 Uiso 1 1 calc R . . . .
C7 C 0.1141(7) 0.2371(6) 0.3843(5) 0.054(2) Uani 1 1 d . . . . .
H7 H 0.0869 0.2038 0.3354 0.064 Uiso 1 1 calc R . . . .
C8 C 0.1937(8) 0.2967(6) 0.3759(5) 0.059(2) Uani 1 1 d . . . . .
H8 H 0.2226 0.3020 0.3203 0.071 Uiso 1 1 calc R . . . .
C9 C 0.4026(5) 0.6628(4) 0.5926(4) 0.0328(13) Uani 1 1 d . . . . .
C10 C 0.2884(6) 0.6733(5) 0.5616(5) 0.0479(18) Uani 1 1 d . . . . .
H10 H 0.2329 0.6356 0.5770 0.058 Uiso 1 1 calc R . . . .
C11 C 0.2563(8) 0.7382(6) 0.5087(6) 0.067(3) Uani 1 1 d . . . . .
H11 H 0.1780 0.7463 0.4887 0.081 Uiso 1 1 calc R . . . .
C12 C 0.3365(8) 0.7926(6) 0.4839(6) 0.063(2) Uani 1 1 d . . . . .
H12 H 0.3138 0.8360 0.4448 0.076 Uiso 1 1 calc R . . . .
C13 C 0.4514(7) 0.7829(5) 0.5169(5) 0.0515(19) Uani 1 1 d . . . . .
H13 H 0.5068 0.8206 0.5016 0.062 Uiso 1 1 calc R . . . .
C14 C 0.4832(6) 0.7189(5) 0.5712(5) 0.0427(16) Uani 1 1 d . . . . .
H14 H 0.5608 0.7127 0.5946 0.051 Uiso 1 1 calc R . . . .
C15 C 0.5864(5) 0.5505(4) 0.6348(4) 0.0314(13) Uani 1 1 d . . . . .
C16 C 0.5957(5) 0.5251(5) 0.5493(4) 0.0408(16) Uani 1 1 d . . . . .
H16 H 0.5297 0.5223 0.5074 0.049 Uiso 1 1 calc R . . . .
C17 C 0.7014(5) 0.5035(6) 0.5244(4) 0.046(2) Uani 1 1 d . . . . .
H17 H 0.7076 0.4855 0.4657 0.055 Uiso 1 1 calc R . . . .
C18 C 0.7970(5) 0.5083(5) 0.5848(5) 0.050(2) Uani 1 1 d . . . . .
H18 H 0.8692 0.4934 0.5678 0.060 Uiso 1 1 calc R . . . .
C19 C 0.7887(5) 0.5344(6) 0.6690(5) 0.051(2) Uani 1 1 d . . . . .
H19 H 0.8555 0.5375 0.7100 0.062 Uiso 1 1 calc R . . . .
C20 C 0.6843(5) 0.5566(5) 0.6960(4) 0.0418(16) Uani 1 1 d . . . . .
H20 H 0.6793 0.5755 0.7545 0.050 Uiso 1 1 calc R . . . .
C21 C 0.4636(5) 0.6102(4) 0.7785(4) 0.0321(13) Uani 1 1 d . . . . .
H21A H 0.4859 0.6681 0.7830 0.039 Uiso 1 1 calc R . . . .
H21B H 0.5244 0.5778 0.8123 0.039 Uiso 1 1 calc R . . . .
C22 C 0.2524(6) 0.6925(5) 0.8110(4) 0.0380(15) Uani 1 1 d . . . . .
C23 C 0.2945(8) 0.7609(6) 0.7728(5) 0.054(2) Uani 1 1 d . . . . .
H23 H 0.3673 0.7593 0.7518 0.065 Uiso 1 1 calc R . . . .
C24 C 0.2318(12) 0.8308(9) 0.7652(7) 0.079(4) Uani 1 1 d . . . . .
H24 H 0.2611 0.8770 0.7378 0.095 Uiso 1 1 calc R . . . .
C25 C 0.1278(10) 0.8354(7) 0.7963(6) 0.075(3) Uani 1 1 d . . . . .
H25 H 0.0860 0.8847 0.7915 0.090 Uiso 1 1 calc R . . . .
C26 C 0.0844(7) 0.7696(7) 0.8341(6) 0.064(3) Uani 1 1 d . . . . .
H26 H 0.0123 0.7728 0.8562 0.077 Uiso 1 1 calc R . . . .
C27 C 0.1450(6) 0.6979(6) 0.8405(5) 0.0495(18) Uani 1 1 d . . . . .
H27 H 0.1131 0.6515 0.8655 0.059 Uiso 1 1 calc R . . . .
C28 C 0.3783(5) 0.5998(4) 0.9455(4) 0.0316(13) Uani 1 1 d . . . . .
C29A C 0.3507(18) 0.6662(15) 0.9985(12) 0.050(6) Uani 0.375(12) 1 d . U P A 1
H29A H 0.3047 0.7092 0.9727 0.061 Uiso 0.375(12) 1 calc R . P A 1
C29B C 0.3006(9) 0.5934(8) 1.0044(7) 0.043(3) Uani 0.625(12) 1 d . U P A 2
H29B H 0.2220 0.5877 0.9839 0.051 Uiso 0.625(12) 1 calc R . P A 2
C30A C 0.390(2) 0.6685(18) 1.0865(16) 0.067(7) Uani 0.375(12) 1 d . U P A 1
H30A H 0.3734 0.7143 1.1208 0.081 Uiso 0.375(12) 1 calc R . P A 1
C30B C 0.3358(10) 0.5951(8) 1.0954(7) 0.046(3) Uani 0.625(12) 1 d . U P A 2
H30B H 0.2814 0.5890 1.1365 0.055 Uiso 0.625(12) 1 calc R . P A 2
C31 C 0.4527(8) 0.6061(6) 1.1261(5) 0.058(2) Uani 1 1 d . U . . .
H31A H 0.4772 0.6101 1.1876 0.069 Uiso 0.625(12) 1 calc R . P A 2
H31 H 0.4683 0.6048 1.1888 0.069 Uiso 0.375(12) 1 calc R . P A 1
C32A C 0.492(2) 0.5477(17) 1.0784(14) 0.065(7) Uani 0.375(12) 1 d . U P A 1
H32A H 0.5473 0.5104 1.1040 0.078 Uiso 0.375(12) 1 calc R . P A 1
C32B C 0.5259(12) 0.6107(13) 1.0677(8) 0.072(5) Uani 0.625(12) 1 d . U P A 2
H32B H 0.6048 0.6148 1.0879 0.087 Uiso 0.625(12) 1 calc R . P A 2
C33A C 0.447(2) 0.5420(15) 0.9844(12) 0.057(7) Uani 0.375(12) 1 d . U P A 1
H33A H 0.4662 0.4966 0.9506 0.068 Uiso 0.375(12) 1 calc R . P A 1
C33B C 0.4920(12) 0.6097(13) 0.9762(9) 0.064(5) Uani 0.625(12) 1 d . U P A 2
H33B H 0.5470 0.6159 0.9356 0.077 Uiso 0.625(12) 1 calc R . P A 2
C34 C 0.0586(7) 0.4902(8) 0.9490(4) 0.057(2) Uani 1 1 d . . . . .
C35 C -0.0303(7) 0.5427(7) 0.9179(7) 0.072(3) Uani 1 1 d . U . . .
H35 H -0.0474 0.5508 0.8560 0.086 Uiso 1 1 calc R . . . .
C36 C -0.0942(10) 0.5831(8) 0.9758(10) 0.102(4) Uani 1 1 d . U . . .
H36 H -0.1541 0.6187 0.9539 0.122 Uiso 1 1 calc R . . . .
C37 C -0.0694(16) 0.5707(9) 1.0643(10) 0.130(6) Uani 1 1 d . U . . .
H37 H -0.1112 0.5988 1.1047 0.156 Uiso 1 1 calc R . . . .
C38 C 0.0115(17) 0.5207(9) 1.0940(8) 0.130(6) Uani 1 1 d . U . . .
H38 H 0.0242 0.5110 1.1560 0.156 Uiso 1 1 calc R . . . .
C39 C 0.0814(14) 0.4801(9) 1.0380(6) 0.112(5) Uani 1 1 d . U . . .
H39 H 0.1427 0.4466 1.0621 0.134 Uiso 1 1 calc R . . . .
C40 C 0.0233(6) 0.3584(5) 0.8361(5) 0.0413(16) Uani 1 1 d . . . . .
C41 C -0.0086(7) 0.3031(6) 0.8979(6) 0.058(2) Uani 1 1 d . . . . .
H41 H 0.0284 0.3038 0.9567 0.069 Uiso 1 1 calc R . . . .
C42 C -0.0934(8) 0.2472(7) 0.8746(8) 0.076(3) Uani 1 1 d . . . . .
H42 H -0.1146 0.2094 0.9170 0.091 Uiso 1 1 calc R . . . .
C43 C -0.1472(9) 0.2463(7) 0.7898(8) 0.083(3) Uani 1 1 d . . . . .
H43 H -0.2045 0.2070 0.7733 0.100 Uiso 1 1 calc R . . . .
C44 C -0.1186(7) 0.3023(7) 0.7284(6) 0.065(3) Uani 1 1 d . . . . .
H44 H -0.1586 0.3028 0.6706 0.078 Uiso 1 1 calc R . . . .
C45 C -0.0318(6) 0.3579(5) 0.7508(5) 0.0479(18) Uani 1 1 d . . . . .
H45 H -0.0103 0.3952 0.7079 0.058 Uiso 1 1 calc R . . . .
C46 C 0.2525(6) 0.3812(5) 0.9273(4) 0.0439(18) Uani 1 1 d . . . . .
H46A H 0.2858 0.4105 0.9809 0.053 Uiso 1 1 calc R . . . .
H46B H 0.2333 0.3248 0.9424 0.053 Uiso 1 1 calc R . . . .
C47A C 0.487(2) 0.4015(14) 0.8941(14) 0.041(5) Uani 0.57(3) 1 d . U P B 1
C47B C 0.494(2) 0.3727(15) 0.8749(16) 0.026(5) Uani 0.43(3) 1 d . U P B 2
C48A C 0.5122(15) 0.3845(13) 0.9831(12) 0.050(5) Uani 0.57(3) 1 d . U P B 1
H48A H 0.4528 0.3707 1.0177 0.060 Uiso 0.57(3) 1 calc R . P B 1
C48B C 0.5270(16) 0.3344(18) 0.9528(14) 0.049(6) Uani 0.43(3) 1 d . U P B 2
H48B H 0.4724 0.3071 0.9835 0.059 Uiso 0.43(3) 1 calc R . P B 2
C49A C 0.6244(14) 0.3875(15) 1.0221(13) 0.070(7) Uani 0.57(3) 1 d . U P B 1
H49A H 0.6419 0.3765 1.0835 0.085 Uiso 0.57(3) 1 calc R . P B 1
C49B C 0.6428(17) 0.3356(17) 0.9878(13) 0.052(6) Uani 0.43(3) 1 d . U P B 2
H49B H 0.6648 0.3112 1.0438 0.063 Uiso 0.43(3) 1 calc R . P B 2
C50A C 0.7084(18) 0.4061(16) 0.9722(17) 0.069(6) Uani 0.57(3) 1 d . U P B 1
H50A H 0.7852 0.4084 0.9988 0.083 Uiso 0.57(3) 1 calc R . P B 1
C50B C 0.7224(19) 0.3702(18) 0.9438(17) 0.052(6) Uani 0.43(3) 1 d . U P B 2
H50B H 0.7995 0.3718 0.9696 0.063 Uiso 0.43(3) 1 calc R . P B 2
C51A C 0.684(3) 0.4215(18) 0.8853(18) 0.051(6) Uani 0.57(3) 1 d . U P B 1
H51A H 0.7441 0.4317 0.8497 0.062 Uiso 0.57(3) 1 calc R . P B 1
C51B C 0.692(3) 0.404(2) 0.860(2) 0.041(7) Uani 0.43(3) 1 d . U P B 2
H51B H 0.7484 0.4252 0.8262 0.049 Uiso 0.43(3) 1 calc R . P B 2
C52A C 0.573(3) 0.4224(18) 0.8484(18) 0.049(7) Uani 0.57(3) 1 d . U P B 1
H52A H 0.5562 0.4384 0.7883 0.059 Uiso 0.57(3) 1 calc R . P B 1
C52B C 0.578(3) 0.4060(19) 0.8272(19) 0.025(5) Uani 0.43(3) 1 d . U P B 2
H52B H 0.5559 0.4305 0.7713 0.030 Uiso 0.43(3) 1 calc R . P B 2
C53 C 0.3330(5) 0.2889(5) 0.7807(4) 0.0424(17) Uani 1 1 d . . . . .
C54 C 0.4013(7) 0.2721(7) 0.7136(5) 0.060(2) Uani 1 1 d . . . . .
H54 H 0.4578 0.3103 0.7015 0.072 Uiso 1 1 calc R . . . .
C55 C 0.3894(8) 0.2026(7) 0.6649(5) 0.068(3) Uani 1 1 d . . . . .
H55 H 0.4369 0.1935 0.6193 0.081 Uiso 1 1 calc R . . . .
C56 C 0.3109(8) 0.1465(7) 0.6808(6) 0.066(2) Uani 1 1 d . . . . .
H56 H 0.3039 0.0977 0.6475 0.080 Uiso 1 1 calc R . . . .
C57 C 0.2401(9) 0.1610(11) 0.7467(7) 0.074(4) Uani 1 1 d . . . . .
H57 H 0.1844 0.1220 0.7582 0.089 Uiso 1 1 calc R . . . .
C58 C 0.2511(8) 0.2316(6) 0.7948(6) 0.057(2) Uani 1 1 d . . . . .
H58 H 0.2014 0.2414 0.8387 0.069 Uiso 1 1 calc R . . . .
Cl2 Cl -0.0482(2) 0.4491(2) 0.39821(19) 0.0918(9) Uani 1 1 d . . . . .
Cl3 Cl 0.0485(3) 0.6071(2) 0.36214(18) 0.0919(9) Uani 1 1 d . . . . .
C59 C 0.0602(7) 0.5181(6) 0.4284(5) 0.065(3) Uani 1 1 d . . . . .
H59A H 0.1346 0.4919 0.4230 0.078 Uiso 1 1 calc R . . . .
H59B H 0.0584 0.5334 0.4912 0.078 Uiso 1 1 calc R . . . .
Cl4 Cl 0.5295(3) 0.4451(2) 0.3095(2) 0.1021(10) Uani 1 1 d . . . . .
Cl5 Cl 0.3469(2) 0.5502(2) 0.34477(18) 0.0938(9) Uani 1 1 d . . . . .
C60 C 0.3856(9) 0.4565(8) 0.3021(6) 0.086(4) Uani 1 1 d . . . . .
H60A H 0.3528 0.4122 0.3352 0.103 Uiso 1 1 calc R . . . .
H60B H 0.3533 0.4523 0.2393 0.103 Uiso 1 1 calc R . . . .
Cl6 Cl 0.2914(2) 0.26694(17) 0.14572(13) 0.0749(8) Uani 1 1 d . . . . .
O2 O 0.3741(7) 0.2651(7) 0.2186(8) 0.136(4) Uani 1 1 d . . . . .
O3 O 0.3199(10) 0.2310(5) 0.0690(6) 0.127(4) Uani 1 1 d . . . . .
O4 O 0.2198(14) 0.2008(9) 0.1826(8) 0.184(6) Uani 1 1 d . . . . .
O5 O 0.2135(8) 0.3257(7) 0.1407(5) 0.114(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 Cl1 2.4287(15) . ?
Os1 P2 2.2670(19) . ?
Os1 P3 2.4174(15) . ?
Os1 P4 2.307(2) . ?
Os1 O1 2.128(4) . ?
Os1 C1 1.995(5) . ?
P1 C1 1.801(6) . ?
P1 C9 1.803(7) . ?
P1 C15 1.800(6) . ?
P1 C21 1.791(6) . ?
P2 C21 1.853(6) . ?
P2 C22 1.832(8) . ?
P2 C28 1.851(6) . ?
P3 C34 1.826(8) . ?
P3 C40 1.825(7) . ?
P3 C46 1.841(7) . ?
P4 C46 1.833(7) . ?
P4 C47A 1.85(2) . ?
P4 C47B 1.84(2) . ?
P4 C53 1.818(9) . ?
O1 C3 1.278(7) . ?
N1 C4 1.348(8) . ?
N1 C8 1.336(10) . ?
C1 C2 1.400(8) . ?
C2 C3 1.419(8) . ?
C3 C4 1.488(9) . ?
C4 C5 1.381(10) . ?
C5 C6 1.388(10) . ?
C6 C7 1.374(11) . ?
C7 C8 1.375(12) . ?
C9 C10 1.389(9) . ?
C9 C14 1.391(9) . ?
C10 C11 1.367(12) . ?
C11 C12 1.385(13) . ?
C12 C13 1.401(12) . ?
C13 C14 1.365(11) . ?
C15 C16 1.381(9) . ?
C15 C20 1.404(8) . ?
C16 C17 1.390(9) . ?
C17 C18 1.375(9) . ?
C18 C19 1.364(10) . ?
C19 C20 1.391(9) . ?
C22 C23 1.385(12) . ?
C22 C27 1.394(10) . ?
C23 C24 1.367(16) . ?
C24 C25 1.366(16) . ?
C25 C26 1.355(15) . ?
C26 C27 1.379(13) . ?
C28 C29A 1.42(2) . ?
C28 C29B 1.354(13) . ?
C28 C33A 1.34(2) . ?
C28 C33B 1.381(14) . ?
C29A C30A 1.37(3) . ?
C29B C30B 1.398(14) . ?
C30A C31 1.37(3) . ?
C30B C31 1.417(15) . ?
C31 C32A 1.32(3) . ?
C31 C32B 1.309(17) . ?
C32A C33A 1.47(2) . ?
C32B C33B 1.402(17) . ?
C34 C35 1.400(15) . ?
C34 C39 1.360(11) . ?
C35 C36 1.391(13) . ?
C36 C37 1.36(2) . ?
C37 C38 1.30(2) . ?
C38 C39 1.417(17) . ?
C40 C41 1.391(11) . ?
C40 C45 1.384(10) . ?
C41 C42 1.377(12) . ?
C42 C43 1.370(15) . ?
C43 C44 1.381(15) . ?
C44 C45 1.388(11) . ?
C47A C48A 1.38(3) . ?
C47A C52A 1.33(4) . ?
C47B C48B 1.36(3) . ?
C47B C52B 1.40(4) . ?
C48A C49A 1.39(2) . ?
C48B C49B 1.41(3) . ?
C49A C50A 1.35(3) . ?
C49B C50B 1.34(3) . ?
C50A C51A 1.34(3) . ?
C50B C51B 1.40(4) . ?
C51A C52A 1.37(4) . ?
C51B C52B 1.38(5) . ?
C53 C54 1.396(11) . ?
C53 C58 1.385(12) . ?
C54 C55 1.362(15) . ?
C55 C56 1.350(15) . ?
C56 C57 1.393(13) . ?
C57 C58 1.373(18) . ?
Cl2 C59 1.735(10) . ?
Cl3 C59 1.776(10) . ?
Cl4 C60 1.700(11) . ?
Cl5 C60 1.755(13) . ?
Cl6 O2 1.392(9) . ?
Cl6 O3 1.383(8) . ?
Cl6 O4 1.524(12) . ?
Cl6 O5 1.332(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Os1 Cl1 95.26(6) . . ?
P2 Os1 P3 100.54(6) . . ?
P2 Os1 P4 97.78(6) . . ?
P3 Os1 Cl1 93.74(6) . . ?
P4 Os1 Cl1 160.60(6) . . ?
P4 Os1 P3 69.81(7) . . ?
O1 Os1 Cl1 81.58(13) . . ?
O1 Os1 P2 165.29(13) . . ?
O1 Os1 P3 94.02(12) . . ?
O1 Os1 P4 89.17(15) . . ?
C1 Os1 Cl1 94.68(16) . . ?
C1 Os1 P2 89.60(19) . . ?
C1 Os1 P3 166.2(2) . . ?
C1 Os1 P4 99.69(18) . . ?
C1 Os1 O1 76.4(2) . . ?
C1 P1 C9 110.8(3) . . ?
C15 P1 C1 116.0(3) . . ?
C15 P1 C9 105.5(3) . . ?
C21 P1 C1 104.4(3) . . ?
C21 P1 C9 111.2(3) . . ?
C21 P1 C15 109.0(3) . . ?
C21 P2 Os1 106.0(2) . . ?
C22 P2 Os1 116.8(2) . . ?
C22 P2 C21 105.3(3) . . ?
C22 P2 C28 100.7(3) . . ?
C28 P2 Os1 125.4(2) . . ?
C28 P2 C21 100.1(3) . . ?
C34 P3 Os1 130.0(4) . . ?
C34 P3 C46 107.4(4) . . ?
C40 P3 Os1 118.6(2) . . ?
C40 P3 C34 98.7(4) . . ?
C40 P3 C46 105.7(4) . . ?
C46 P3 Os1 93.9(2) . . ?
C46 P4 Os1 97.9(3) . . ?
C46 P4 C47A 103.4(7) . . ?
C46 P4 C47B 112.3(8) . . ?
C47A P4 Os1 123.4(7) . . ?
C47B P4 Os1 133.0(8) . . ?
C53 P4 Os1 112.5(2) . . ?
C53 P4 C46 107.4(4) . . ?
C53 P4 C47A 109.9(8) . . ?
C53 P4 C47B 92.4(8) . . ?
C3 O1 Os1 114.5(4) . . ?
C8 N1 C4 116.4(6) . . ?
P1 C1 Os1 120.6(3) . . ?
C2 C1 Os1 118.9(4) . . ?
C2 C1 P1 120.4(4) . . ?
C1 C2 C3 110.9(5) . . ?
O1 C3 C2 119.3(5) . . ?
O1 C3 C4 117.4(5) . . ?
C2 C3 C4 123.3(5) . . ?
N1 C4 C3 116.3(6) . . ?
N1 C4 C5 123.4(6) . . ?
C5 C4 C3 120.4(5) . . ?
C4 C5 C6 118.2(6) . . ?
C7 C6 C5 119.4(7) . . ?
C6 C7 C8 118.0(7) . . ?
N1 C8 C7 124.5(7) . . ?
C10 C9 P1 121.1(5) . . ?
C10 C9 C14 120.1(6) . . ?
C14 C9 P1 118.8(5) . . ?
C11 C10 C9 119.4(7) . . ?
C10 C11 C12 120.9(8) . . ?
C11 C12 C13 119.5(7) . . ?
C14 C13 C12 119.6(7) . . ?
C13 C14 C9 120.4(7) . . ?
C16 C15 P1 119.2(5) . . ?
C16 C15 C20 119.9(6) . . ?
C20 C15 P1 120.8(5) . . ?
C15 C16 C17 120.1(6) . . ?
C18 C17 C16 119.9(6) . . ?
C19 C18 C17 120.3(6) . . ?
C18 C19 C20 121.2(6) . . ?
C19 C20 C15 118.5(6) . . ?
P1 C21 P2 110.0(3) . . ?
C23 C22 P2 125.0(6) . . ?
C23 C22 C27 117.7(8) . . ?
C27 C22 P2 117.3(6) . . ?
C24 C23 C22 120.4(10) . . ?
C25 C24 C23 121.1(13) . . ?
C26 C25 C24 120.0(10) . . ?
C25 C26 C27 119.9(9) . . ?
C26 C27 C22 121.0(9) . . ?
C29A C28 P2 121.2(9) . . ?
C29B C28 P2 118.4(6) . . ?
C29B C28 C33B 119.4(8) . . ?
C33A C28 P2 121.1(9) . . ?
C33A C28 C29A 117.6(12) . . ?
C33B C28 P2 122.3(7) . . ?
C30A C29A C28 120.2(19) . . ?
C28 C29B C30B 120.2(9) . . ?
C29A C30A C31 121.2(19) . . ?
C29B C30B C31 119.9(10) . . ?
C32A C31 C30A 120.8(14) . . ?
C32B C31 C30B 118.5(8) . . ?
C31 C32A C33A 118(2) . . ?
C31 C32B C33B 122.3(12) . . ?
C28 C33A C32A 121.1(18) . . ?
C28 C33B C32B 119.6(13) . . ?
C35 C34 P3 117.8(6) . . ?
C39 C34 P3 124.1(10) . . ?
C39 C34 C35 117.9(9) . . ?
C36 C35 C34 121.4(11) . . ?
C37 C36 C35 118.8(14) . . ?
C38 C37 C36 120.4(11) . . ?
C37 C38 C39 123.0(12) . . ?
C34 C39 C38 118.4(13) . . ?
C41 C40 P3 121.2(6) . . ?
C45 C40 P3 119.2(6) . . ?
C45 C40 C41 119.6(7) . . ?
C42 C41 C40 120.6(8) . . ?
C43 C42 C41 119.8(9) . . ?
C42 C43 C44 120.4(8) . . ?
C43 C44 C45 120.3(8) . . ?
C40 C45 C44 119.3(8) . . ?
P4 C46 P3 94.8(3) . . ?
C48A C47A P4 121.4(16) . . ?
C52A C47A P4 120.2(18) . . ?
C52A C47A C48A 118(2) . . ?
C48B C47B P4 120.6(17) . . ?
C48B C47B C52B 119(2) . . ?
C52B C47B P4 120(2) . . ?
C47A C48A C49A 119.9(19) . . ?
C47B C48B C49B 119.5(18) . . ?
C50A C49A C48A 119.6(17) . . ?
C50B C49B C48B 121.5(17) . . ?
C51A C50A C49A 120(2) . . ?
C49B C50B C51B 120(2) . . ?
C50A C51A C52A 119(3) . . ?
C52B C51B C50B 118(3) . . ?
C47A C52A C51A 122(3) . . ?
C51B C52B C47B 121(3) . . ?
C54 C53 P4 120.4(7) . . ?
C58 C53 P4 122.5(6) . . ?
C58 C53 C54 116.7(8) . . ?
C55 C54 C53 122.0(9) . . ?
C56 C55 C54 120.6(8) . . ?
C55 C56 C57 119.3(11) . . ?
C58 C57 C56 120.0(13) . . ?
C57 C58 C53 121.4(9) . . ?
Cl2 C59 Cl3 112.6(5) . . ?
Cl4 C60 Cl5 111.8(6) . . ?
O2 Cl6 O4 93.5(8) . . ?
O3 Cl6 O2 116.5(7) . . ?
O3 Cl6 O4 101.6(7) . . ?
O5 Cl6 O2 118.7(6) . . ?
O5 Cl6 O3 119.6(6) . . ?
O5 Cl6 O4 97.7(8) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
