# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1051920'
_audit_update_record             
;
2015-07-27 deposited with the CCDC.
2015-11-18 downloaded from the CCDC.
;
_audit_creation_date             2015-07-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C63 H51 Cl I O2 Os P3, 2(Cl2 I), 1.5(C H2 Cl2)'
_chemical_formula_sum            'C64.50 H54 Cl8 I3 O2 Os P3'
_chemical_formula_weight         1808.48
_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'
I I -0.4742 1.8119 '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                   12.9311(5)
_cell_length_b                   22.2426(7)
_cell_length_c                   23.2785(8)
_cell_angle_alpha                90
_cell_angle_beta                 102.771(4)
_cell_angle_gamma                90
_cell_volume                     6529.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9095
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28.4020
_cell_measurement_theta_min      3.1710
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.815
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55209
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             3492
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27557
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.962
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_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                9876
_reflns_number_total             11489
_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, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.549
_refine_diff_density_min         -1.388
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     809
_refine_ls_number_reflns         11489
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.077
_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)+(0.0439P)²+43.1874P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1074
_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. Shared sites
{C131, C2D}
3. Restrained distances
 Cl3-I2
 2.55 with sigma of 0.02
 Cl2D-C1D
 1.77 with sigma of 0.02
 Cl2-I2
 2.55 with sigma of 0.02
 Cl1D-C1D
 1.77 with sigma of 0.02
 Cl2D-Cl1D
 2.79 with sigma of 0.02
 Cl6D-Cl3D
 2.79 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C1D) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl6D) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(Cl5D) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl5D) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C2D) \\sim Ueq, Uanis(C131) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(Cl6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C131) = Uanis(C2D)
5. Others
 Fixed Sof: I2(0.25) I4(0.25) Cl7(0.25) Cl3(0.25) Cl6(0.25) Cl2(0.25)
 Cl4D(0.5) Cl3D(0.5) Cl6D(0.5) Cl1D(0.5) Cl2D(0.5) C131(0.5) H13a(0.5)
 H13b(0.5) C2D(0.5) H2Da(0.5) H2Db(0.5) C1D(0.5) H1Da(0.5) H1Db(0.5) Cl5D(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C131(H13a,H13b), C2D(H2Da,H2Db), C1D(H1Da,H1Db)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C40P(H40P), C20P(H20P), C51P(H51P), C14P(H14P), C54P(H54P),
 C22P(H22P), C12P(H12P), C27P(H27P), C5P(H5P), C42P(H42P), C38P(H38P), C2P(H2P),
  C30P(H30P), C3(H3), C53P(H53P), C6P(H6P), C3P(H3P), C5AA(H5AA), C18P(H18P),
 C34P(H34P), C52P(H52P), C50P(H50P), C28P(H28P), C21P(H21P), C9P(H9P),
 C32P(H32P), C23P(H23P), C26P(H26P), C41P(H41P), C8P(H8P), C11P(H11P),
 C24P(H24P), C35P(H35P), C29P(H29P), C17P(H17P), C39P(H39P), C33P(H33P),
 C4P(H4P), C15P(H15P), C16P(H16P), C5(H5), C48P(H48P), C45P(H45P), C47P(H47P),
 C10P(H10P), C44P(H44P), C46P(H46P)
6.c Idealised Me refined as rotating group:
 C9(H9a,H9b,H9c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.42888(2) 1.22186(2) 1.20430(2) 0.01519(8) Uani 1 1 d . . . . .
P2 P 0.37299(12) 1.32071(7) 1.16306(7) 0.0176(3) Uani 1 1 d . . . . .
P1 P 0.48176(12) 1.12399(7) 1.25139(7) 0.0180(3) Uani 1 1 d . . . . .
P3 P 0.09898(12) 1.14216(7) 1.10614(6) 0.0171(3) Uani 1 1 d . . . . .
Cl1 Cl 0.52112(12) 1.20396(7) 1.12625(6) 0.0231(3) Uani 1 1 d . . . . .
C1 C 0.3078(4) 1.1843(2) 1.1458(2) 0.0152(12) Uani 1 1 d . . . . .
H1 H 0.3195 1.1717 1.1096 0.018 Uiso 1 1 calc R . . . .
C4 C 0.2954(5) 1.2206(3) 1.2442(3) 0.0185(12) Uani 1 1 d . . . . .
C40P C 0.0414(6) 0.9494(3) 1.1552(3) 0.0396(18) Uani 1 1 d . . . . .
H40P H 0.0271 0.9103 1.1653 0.047 Uiso 1 1 calc R . . . .
C20P C 0.2916(5) 1.2885(3) 1.0480(3) 0.0253(14) Uani 1 1 d . . . . .
H20P H 0.3503 1.2632 1.0538 0.030 Uiso 1 1 calc R . . . .
C49P C -0.0193(5) 1.1827(3) 1.1092(3) 0.0231(14) Uani 1 1 d . . . . .
C25P C 0.3264(5) 1.3653(3) 1.2182(3) 0.0203(13) Uani 1 1 d . . . . .
C7P C 0.4112(5) 1.0583(3) 1.2158(3) 0.0220(13) Uani 1 1 d . . . . .
C31P C 0.4677(5) 1.3710(3) 1.1382(3) 0.0234(14) Uani 1 1 d . . . . .
C51P C -0.2066(6) 1.1841(4) 1.1008(3) 0.0394(18) Uani 1 1 d . . . . .
H51P H -0.2707 1.1639 1.0970 0.047 Uiso 1 1 calc R . . . .
C1P C 0.6199(5) 1.0995(3) 1.2613(3) 0.0207(13) Uani 1 1 d . . . . .
C14P C 0.3621(6) 1.1143(3) 1.3386(3) 0.0312(16) Uani 1 1 d . . . . .
H14P H 0.3045 1.1053 1.3081 0.037 Uiso 1 1 calc R . . . .
C54P C -0.0166(5) 1.2452(3) 1.1115(3) 0.0287(15) Uani 1 1 d . . . . .
H54P H 0.0474 1.2656 1.1153 0.034 Uiso 1 1 calc R . . . .
C22P C 0.1379(6) 1.3296(3) 0.9846(3) 0.0377(18) Uani 1 1 d . . . . .
H22P H 0.0927 1.3324 0.9475 0.045 Uiso 1 1 calc R . . . .
C12P C 0.3772(5) 1.0126(3) 1.2480(3) 0.0285(15) Uani 1 1 d . . . . .
H12P H 0.3858 1.0164 1.2885 0.034 Uiso 1 1 calc R . . . .
C27P C 0.1951(6) 1.3905(3) 1.2732(3) 0.0320(16) Uani 1 1 d . . . . .
H27P H 0.1261 1.3872 1.2785 0.038 Uiso 1 1 calc R . . . .
C5P C 0.7921(5) 1.1012(3) 1.2392(3) 0.0336(16) Uani 1 1 d . . . . .
H5P H 0.8397 1.1179 1.2190 0.040 Uiso 1 1 calc R . . . .
C42P C 0.0608(6) 1.0213(3) 1.0827(3) 0.0338(17) Uani 1 1 d . . . . .
H42P H 0.0601 1.0311 1.0438 0.041 Uiso 1 1 calc R . . . .
C38P C 0.0841(5) 1.0512(3) 1.1844(3) 0.0285(15) Uani 1 1 d . . . . .
H38P H 0.0986 1.0806 1.2135 0.034 Uiso 1 1 calc R . . . .
C2P C 0.6520(5) 1.0505(3) 1.2985(3) 0.0310(16) Uani 1 1 d . . . . .
H2P H 0.6045 1.0325 1.3180 0.037 Uiso 1 1 calc R . . . .
C30P C 0.3976(6) 1.4019(3) 1.2558(3) 0.0287(15) Uani 1 1 d . . . . .
H30P H 0.4659 1.4067 1.2498 0.034 Uiso 1 1 calc R . . . .
C3 C 0.2021(4) 1.1967(3) 1.2124(2) 0.0152(12) Uani 1 1 d . . . . .
H3 H 0.1406 1.1944 1.2268 0.018 Uiso 1 1 calc R . . . .
C53P C -0.1095(6) 1.2766(3) 1.1080(4) 0.0417(19) Uani 1 1 d . . . . .
H53P H -0.1086 1.3184 1.1090 0.050 Uiso 1 1 calc R . . . .
C6P C 0.6904(5) 1.1247(3) 1.2312(3) 0.0295(15) Uani 1 1 d . . . . .
H6P H 0.6698 1.1570 1.2058 0.035 Uiso 1 1 calc R . . . .
C3P C 0.7542(6) 1.0287(3) 1.3064(3) 0.0351(17) Uani 1 1 d . . . . .
H3P H 0.7761 0.9969 1.3321 0.042 Uiso 1 1 calc R . . . .
C5AA C 0.5721(6) 1.3556(3) 1.1382(4) 0.0368(17) Uani 1 1 d . . . . .
H5AA H 0.5992 1.3186 1.1530 0.044 Uiso 1 1 calc R . . . .
C2 C 0.2081(5) 1.1762(3) 1.1570(3) 0.0182(12) Uani 1 1 d . . . . .
C18P C 0.5442(6) 1.1390(3) 1.3729(3) 0.0329(16) Uani 1 1 d . . . . .
H18P H 0.6108 1.1466 1.3656 0.040 Uiso 1 1 calc R . . . .
C34P C 0.5963(7) 1.4495(3) 1.0928(4) 0.046(2) Uani 1 1 d . . . . .
H34P H 0.6397 1.4758 1.0778 0.055 Uiso 1 1 calc R . . . .
C52P C -0.2041(6) 1.2460(4) 1.1031(4) 0.0405(18) Uani 1 1 d . . . . .
H52P H -0.2666 1.2674 1.1013 0.049 Uiso 1 1 calc R . . . .
C50P C -0.1136(5) 1.1517(3) 1.1042(3) 0.0295(15) Uani 1 1 d . . . . .
H50P H -0.1148 1.1100 1.1030 0.035 Uiso 1 1 calc R . . . .
C28P C 0.2657(7) 1.4265(3) 1.3101(3) 0.0393(19) Uani 1 1 d . . . . .
H28P H 0.2448 1.4475 1.3401 0.047 Uiso 1 1 calc R . . . .
C21P C 0.2263(6) 1.2940(3) 0.9926(3) 0.0283(15) Uani 1 1 d . . . . .
H21P H 0.2424 1.2735 0.9609 0.034 Uiso 1 1 calc R . . . .
C13P C 0.4610(5) 1.1239(3) 1.3268(3) 0.0252(14) Uani 1 1 d . . . . .
C9P C 0.3548(6) 0.9991(3) 1.1273(3) 0.0411(19) Uani 1 1 d . . . . .
H9P H 0.3486 0.9942 1.0870 0.049 Uiso 1 1 calc R . . . .
C32P C 0.4280(6) 1.4258(3) 1.1145(3) 0.0287(15) Uani 1 1 d . . . . .
H32P H 0.3582 1.4363 1.1140 0.034 Uiso 1 1 calc R . . . .
C23P C 0.1159(6) 1.3610(3) 1.0310(3) 0.0371(17) Uani 1 1 d . . . . .
H23P H 0.0558 1.3852 1.0249 0.045 Uiso 1 1 calc R . . . .
C26P C 0.2245(5) 1.3589(3) 1.2278(3) 0.0228(13) Uani 1 1 d . . . . .
H26P H 0.1761 1.3336 1.2039 0.027 Uiso 1 1 calc R . . . .
C41P C 0.0401(7) 0.9631(3) 1.0973(4) 0.044(2) Uani 1 1 d . . . . .
H41P H 0.0254 0.9335 1.0684 0.053 Uiso 1 1 calc R . . . .
C8P C 0.4007(6) 1.0513(3) 1.1551(3) 0.0302(15) Uani 1 1 d . . . . .
H8P H 0.4241 1.0814 1.1333 0.036 Uiso 1 1 calc R . . . .
C11P C 0.3303(6) 0.9613(3) 1.2195(4) 0.0390(18) Uani 1 1 d . . . . .
H11P H 0.3066 0.9311 1.2411 0.047 Uiso 1 1 calc R . . . .
C24P C 0.1806(5) 1.3577(3) 1.0865(3) 0.0290(15) Uani 1 1 d . . . . .
H24P H 0.1652 1.3797 1.1175 0.035 Uiso 1 1 calc R . . . .
C37P C 0.0829(5) 1.0654(3) 1.1262(3) 0.0217(13) Uani 1 1 d . . . . .
C35P C 0.6355(6) 1.3959(4) 1.1161(4) 0.048(2) Uani 1 1 d . . . . .
H35P H 0.7058 1.3861 1.1171 0.057 Uiso 1 1 calc R . . . .
C19P C 0.2699(5) 1.3206(3) 1.0954(3) 0.0205(13) Uani 1 1 d . . . . .
C29P C 0.3683(6) 1.4315(3) 1.3026(3) 0.0354(17) Uani 1 1 d . . . . .
H29P H 0.4177 1.4545 1.3286 0.043 Uiso 1 1 calc R . . . .
C17P C 0.5293(7) 1.1429(4) 1.4306(3) 0.043(2) Uani 1 1 d . . . . .
H17P H 0.5858 1.1532 1.4613 0.052 Uiso 1 1 calc R . . . .
C39P C 0.0634(6) 0.9927(4) 1.1984(3) 0.0389(18) Uani 1 1 d . . . . .
H39P H 0.0643 0.9826 1.2373 0.047 Uiso 1 1 calc R . . . .
C33P C 0.4918(6) 1.4650(3) 1.0914(3) 0.0373(18) Uani 1 1 d . . . . .
H33P H 0.4648 1.5015 1.0751 0.045 Uiso 1 1 calc R . . . .
C4P C 0.8232(5) 1.0536(3) 1.2765(3) 0.0329(16) Uani 1 1 d . . . . .
H4P H 0.8915 1.0383 1.2814 0.039 Uiso 1 1 calc R . . . .
C15P C 0.3490(7) 1.1182(3) 1.3964(3) 0.042(2) Uani 1 1 d . . . . .
H15P H 0.2824 1.1114 1.4041 0.050 Uiso 1 1 calc R . . . .
C16P C 0.4316(7) 1.1317(4) 1.4417(3) 0.046(2) Uani 1 1 d . . . . .
H16P H 0.4218 1.1333 1.4801 0.056 Uiso 1 1 calc R . . . .
I1 I 0.61984(3) 1.27611(2) 1.27887(2) 0.03050(12) Uani 1 1 d . . . . .
I3 I -0.04832(4) 1.24278(3) 1.28032(2) 0.04702(16) Uani 1 1 d . . . . .
Cl4 Cl 0.06656(17) 1.15119(13) 1.31964(9) 0.0609(7) Uani 1 1 d . . . . .
Cl5 Cl -0.16425(19) 1.33274(11) 1.24292(13) 0.0682(7) Uani 1 1 d . . . . .
O1 O 0.3796(4) 1.2911(3) 1.4193(2) 0.0431(13) Uani 1 1 d . . . . .
O2 O 0.5382(4) 1.3079(3) 1.3990(2) 0.0464(14) Uani 1 1 d . . . . .
C5 C 0.3055(5) 1.2436(3) 1.3009(3) 0.0187(12) Uani 1 1 d . . . . .
H5 H 0.2501 1.2444 1.3204 0.022 Uiso 1 1 calc R . . . .
C6 C 0.4066(5) 1.2653(3) 1.3253(3) 0.0202(13) Uani 1 1 d . . . . .
C43P C 0.1199(5) 1.1460(3) 1.0325(3) 0.0213(13) Uani 1 1 d . . . . .
C7 C 0.4648(5) 1.2568(3) 1.2828(3) 0.0198(13) Uani 1 1 d . . . . .
C48P C 0.0498(6) 1.1793(3) 0.9905(3) 0.0273(15) Uani 1 1 d . . . . .
H48P H -0.0078 1.1984 1.0003 0.033 Uiso 1 1 calc R . . . .
C45P C 0.2207(6) 1.1215(3) 0.9608(3) 0.0361(17) Uani 1 1 d . . . . .
H45P H 0.2780 1.1023 0.9507 0.043 Uiso 1 1 calc R . . . .
C47P C 0.0669(7) 1.1835(3) 0.9335(3) 0.0362(18) Uani 1 1 d . . . . .
H47P H 0.0204 1.2057 0.9051 0.043 Uiso 1 1 calc R . . . .
C8 C 0.4391(6) 1.2895(3) 1.3859(3) 0.0330(16) Uani 1 1 d . . . . .
C10P C 0.3187(6) 0.9550(3) 1.1593(4) 0.042(2) Uani 1 1 d . . . . .
H10P H 0.2864 0.9208 1.1404 0.051 Uiso 1 1 calc R . . . .
C44P C 0.2045(5) 1.1160(3) 1.0174(3) 0.0269(14) Uani 1 1 d . . . . .
H44P H 0.2497 1.0924 1.0451 0.032 Uiso 1 1 calc R . . . .
C46P C 0.1519(7) 1.1553(3) 0.9193(3) 0.0397(19) Uani 1 1 d . . . . .
H46P H 0.1635 1.1589 0.8814 0.048 Uiso 1 1 calc R . . . .
C9 C 0.5747(8) 1.3295(5) 1.4598(4) 0.072(3) Uani 1 1 d . . . . .
H9A H 0.5438 1.3681 1.4637 0.108 Uiso 1 1 calc GR . . . .
H9B H 0.6506 1.3330 1.4688 0.108 Uiso 1 1 calc GR . . . .
H9C H 0.5536 1.3015 1.4864 0.108 Uiso 1 1 calc GR . . . .
I5 I 0.5000 1.5000 1.5000 0.0698(3) Uani 1 2 d S T P . .
Cl8 Cl 0.6900(3) 1.46560(11) 1.54679(13) 0.0880(10) Uani 1 1 d . . . A 1
I2 I 0.81805(18) 1.20232(15) 1.43615(10) 0.0457(6) Uani 0.25 1 d D . . B 2
I4 I 0.1200(2) 0.96571(11) 1.44024(12) 0.0564(6) Uani 0.25 1 d . . . C 1
Cl7 Cl 0.2269(11) 0.9838(6) 1.5380(5) 0.094(4) Uani 0.25 1 d . . . C 1
Cl3 Cl 0.8090(6) 1.3107(4) 1.4068(4) 0.048(2) Uani 0.25 1 d D . . B 2
Cl6 Cl 0.0071(9) 0.9357(4) 1.3430(4) 0.047(2) Uani 0.25 1 d . U . C 1
Cl2 Cl 0.8284(10) 1.0929(6) 1.4550(6) 0.086(5) Uani 0.25 1 d D . . B 2
Cl4D Cl -0.0282(6) 1.0194(3) 1.4278(3) 0.099(2) Uani 0.5 1 d . . . D 3
Cl3D Cl 0.1730(6) 1.0142(3) 1.4616(4) 0.102(2) Uani 0.5 1 d D . . E 4
Cl6D Cl 0.0342(8) 0.9519(4) 1.3668(4) 0.084(2) Uani 0.5 1 d D U . E 4
Cl1D Cl 0.8122(4) 1.1234(4) 1.4579(3) 0.091(3) Uani 0.5 1 d D . . F 3
Cl2D Cl 0.7994(5) 1.2410(3) 1.4282(3) 0.0750(17) Uani 0.5 1 d D . . F 3
C131 C 0.078(2) 1.0142(11) 1.4003(12) 0.205(10) Uani 0.5 1 d . U . E 4
H13A H 0.0175 1.0347 1.4094 0.246 Uiso 0.5 1 calc R . . E 4
H13B H 0.1031 1.0390 1.3719 0.246 Uiso 0.5 1 calc R . . E 4
C2D C 0.078(2) 1.0142(11) 1.4003(12) 0.205(10) Uani 0.5 1 d . U . D 3
H2DA H 0.1407 1.0145 1.4322 0.246 Uiso 0.5 1 calc R . . D 3
H2DB H 0.0818 1.0489 1.3756 0.246 Uiso 0.5 1 calc R . . D 3
C1D C 0.8508(10) 1.1650(6) 1.4049(6) 0.045(4) Uani 0.5 1 d D U . F 3
H1DA H 0.8152 1.1530 1.3654 0.054 Uiso 0.5 1 calc R . . F 3
H1DB H 0.9270 1.1646 1.4087 0.054 Uiso 0.5 1 calc R . . F 3
Cl5D Cl 0.0786(12) 0.9474(7) 1.3577(7) 0.172(6) Uani 0.5 1 d . U . D 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 P2 2.4438(15) . ?
Os1 P1 2.4652(15) . ?
Os1 Cl1 2.4168(15) . ?
Os1 C1 2.016(6) . ?
Os1 C4 2.133(6) . ?
Os1 I1 2.9448(5) . ?
Os1 C7 1.945(6) . ?
P2 C25P 1.827(6) . ?
P2 C31P 1.844(6) . ?
P2 C19P 1.825(6) . ?
P1 C7P 1.823(6) . ?
P1 C1P 1.833(6) . ?
P1 C13P 1.834(6) . ?
P3 C49P 1.790(6) . ?
P3 C2 1.797(6) . ?
P3 C37P 1.795(6) . ?
P3 C43P 1.796(6) . ?
C1 C2 1.383(8) . ?
C4 C3 1.376(8) . ?
C4 C5 1.395(8) . ?
C40P C41P 1.380(11) . ?
C40P C39P 1.376(11) . ?
C20P C21P 1.382(9) . ?
C20P C19P 1.393(9) . ?
C49P C54P 1.392(9) . ?
C49P C50P 1.383(9) . ?
C25P C30P 1.385(9) . ?
C25P C26P 1.393(9) . ?
C7P C12P 1.390(9) . ?
C7P C8P 1.397(9) . ?
C31P C5AA 1.392(10) . ?
C31P C32P 1.389(9) . ?
C51P C52P 1.379(11) . ?
C51P C50P 1.388(10) . ?
C1P C2P 1.397(9) . ?
C1P C6P 1.385(9) . ?
C14P C13P 1.383(10) . ?
C14P C15P 1.397(10) . ?
C54P C53P 1.376(10) . ?
C22P C21P 1.369(10) . ?
C22P C23P 1.369(10) . ?
C12P C11P 1.388(10) . ?
C27P C28P 1.365(11) . ?
C27P C26P 1.390(9) . ?
C5P C6P 1.389(9) . ?
C5P C4P 1.371(10) . ?
C42P C41P 1.378(10) . ?
C42P C37P 1.392(9) . ?
C38P C37P 1.389(9) . ?
C38P C39P 1.382(10) . ?
C2P C3P 1.381(10) . ?
C30P C29P 1.394(10) . ?
C3 C2 1.386(8) . ?
C53P C52P 1.382(11) . ?
C3P C4P 1.364(10) . ?
C5AA C35P 1.389(10) . ?
C18P C13P 1.382(10) . ?
C18P C17P 1.401(10) . ?
C34P C35P 1.360(12) . ?
C34P C33P 1.388(11) . ?
C28P C29P 1.381(11) . ?
C9P C8P 1.397(10) . ?
C9P C10P 1.375(11) . ?
C32P C33P 1.388(9) . ?
C23P C24P 1.378(10) . ?
C11P C10P 1.384(12) . ?
C24P C19P 1.397(9) . ?
C17P C16P 1.367(12) . ?
C15P C16P 1.358(12) . ?
I1 C7 2.072(6) . ?
I3 Cl4 2.568(3) . ?
I3 Cl5 2.536(3) . ?
O1 C8 1.210(9) . ?
O2 C8 1.315(9) . ?
O2 C9 1.468(9) . ?
C5 C6 1.392(9) . ?
C6 C7 1.382(9) . ?
C6 C8 1.480(9) . ?
C43P C48P 1.390(9) . ?
C43P C44P 1.391(9) . ?
C48P C47P 1.395(9) . ?
C45P C44P 1.384(9) . ?
C45P C46P 1.382(11) . ?
C47P C46P 1.369(11) . ?
I5 Cl8 2.574(3) 3_688 ?
I5 Cl8 2.574(3) . ?
I2 Cl3 2.502(9) . ?
I2 Cl2 2.472(13) . ?
I4 Cl7 2.420(12) . ?
I4 Cl6 2.498(11) . ?
Cl3D C131 1.66(2) . ?
Cl6D C131 1.63(3) . ?
Cl1D C1D 1.704(13) . ?
Cl2D C1D 1.938(15) . ?

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 P1 176.51(5) . . ?
P2 Os1 I1 89.97(4) . . ?
P1 Os1 I1 89.18(4) . . ?
Cl1 Os1 P2 90.29(5) . . ?
Cl1 Os1 P1 93.12(5) . . ?
Cl1 Os1 I1 91.25(4) . . ?
C1 Os1 P2 89.41(16) . . ?
C1 Os1 P1 91.83(16) . . ?
C1 Os1 Cl1 82.07(17) . . ?
C1 Os1 C4 72.9(2) . . ?
C1 Os1 I1 173.29(16) . . ?
C4 Os1 P2 89.13(16) . . ?
C4 Os1 P1 88.11(16) . . ?
C4 Os1 Cl1 155.00(17) . . ?
C4 Os1 I1 113.74(16) . . ?
C7 Os1 P2 89.88(18) . . ?
C7 Os1 P1 87.14(18) . . ?
C7 Os1 Cl1 135.82(18) . . ?
C7 Os1 C1 142.1(2) . . ?
C7 Os1 C4 69.2(2) . . ?
C7 Os1 I1 44.56(18) . . ?
C25P P2 Os1 109.11(19) . . ?
C25P P2 C31P 103.7(3) . . ?
C31P P2 Os1 120.7(2) . . ?
C19P P2 Os1 115.7(2) . . ?
C19P P2 C25P 108.4(3) . . ?
C19P P2 C31P 98.0(3) . . ?
C7P P1 Os1 116.4(2) . . ?
C7P P1 C1P 101.3(3) . . ?
C7P P1 C13P 105.7(3) . . ?
C1P P1 Os1 119.0(2) . . ?
C1P P1 C13P 102.9(3) . . ?
C13P P1 Os1 110.0(2) . . ?
C49P P3 C2 108.3(3) . . ?
C49P P3 C37P 108.6(3) . . ?
C49P P3 C43P 108.9(3) . . ?
C37P P3 C2 110.5(3) . . ?
C37P P3 C43P 110.1(3) . . ?
C43P P3 C2 110.3(3) . . ?
C2 C1 Os1 122.9(4) . . ?
C3 C4 Os1 118.0(4) . . ?
C3 C4 C5 122.5(5) . . ?
C5 C4 Os1 119.5(4) . . ?
C39P C40P C41P 121.0(7) . . ?
C21P C20P C19P 120.3(6) . . ?
C54P C49P P3 119.3(5) . . ?
C50P C49P P3 119.5(5) . . ?
C50P C49P C54P 121.0(6) . . ?
C30P C25P P2 119.1(5) . . ?
C30P C25P C26P 118.6(6) . . ?
C26P C25P P2 121.9(5) . . ?
C12P C7P P1 121.8(5) . . ?
C12P C7P C8P 119.5(6) . . ?
C8P C7P P1 118.4(5) . . ?
C5AA C31P P2 124.2(5) . . ?
C32P C31P P2 116.4(5) . . ?
C32P C31P C5AA 119.3(6) . . ?
C52P C51P C50P 120.2(7) . . ?
C2P C1P P1 117.2(5) . . ?
C6P C1P P1 123.2(5) . . ?
C6P C1P C2P 119.4(6) . . ?
C13P C14P C15P 119.7(7) . . ?
C53P C54P C49P 119.4(6) . . ?
C23P C22P C21P 120.0(6) . . ?
C11P C12P C7P 120.0(7) . . ?
C28P C27P C26P 121.1(7) . . ?
C4P C5P C6P 120.8(7) . . ?
C41P C42P C37P 120.1(7) . . ?
C39P C38P C37P 118.9(6) . . ?
C3P C2P C1P 120.0(7) . . ?
C25P C30P C29P 120.9(7) . . ?
C4 C3 C2 113.8(5) . . ?
C54P C53P C52P 120.0(7) . . ?
C1P C6P C5P 119.3(6) . . ?
C4P C3P C2P 120.3(7) . . ?
C35P C5AA C31P 119.5(7) . . ?
C1 C2 P3 123.9(4) . . ?
C1 C2 C3 112.4(5) . . ?
C3 C2 P3 123.7(5) . . ?
C13P C18P C17P 120.7(7) . . ?
C35P C34P C33P 120.2(7) . . ?
C51P C52P C53P 120.4(7) . . ?
C49P C50P C51P 118.9(7) . . ?
C27P C28P C29P 119.7(7) . . ?
C22P C21P C20P 119.9(6) . . ?
C14P C13P P1 121.8(5) . . ?
C18P C13P P1 119.3(5) . . ?
C18P C13P C14P 118.7(6) . . ?
C10P C9P C8P 120.2(7) . . ?
C33P C32P C31P 120.4(7) . . ?
C22P C23P C24P 121.6(7) . . ?
C27P C26P C25P 119.9(6) . . ?
C42P C41P C40P 119.1(7) . . ?
C7P C8P C9P 119.8(7) . . ?
C10P C11P C12P 120.4(7) . . ?
C23P C24P C19P 118.7(6) . . ?
C42P C37P P3 119.9(5) . . ?
C38P C37P P3 119.5(5) . . ?
C38P C37P C42P 120.4(6) . . ?
C34P C35P C5AA 121.0(8) . . ?
C20P C19P P2 116.6(5) . . ?
C20P C19P C24P 119.4(6) . . ?
C24P C19P P2 123.3(5) . . ?
C28P C29P C30P 119.7(7) . . ?
C16P C17P C18P 119.8(8) . . ?
C40P C39P C38P 120.4(7) . . ?
C34P C33P C32P 119.6(7) . . ?
C3P C4P C5P 120.2(6) . . ?
C16P C15P C14P 121.3(8) . . ?
C15P C16P C17P 119.7(7) . . ?
C7 I1 Os1 41.21(17) . . ?
Cl5 I3 Cl4 178.81(8) . . ?
C8 O2 C9 114.5(7) . . ?
C6 C5 C4 113.4(5) . . ?
C5 C6 C8 123.9(6) . . ?
C7 C6 C5 105.7(5) . . ?
C7 C6 C8 130.3(6) . . ?
C48P C43P P3 118.9(5) . . ?
C48P C43P C44P 120.3(6) . . ?
C44P C43P P3 120.8(5) . . ?
Os1 C7 I1 94.2(3) . . ?
C6 C7 Os1 132.3(5) . . ?
C6 C7 I1 133.5(4) . . ?
C43P C48P C47P 119.3(7) . . ?
C46P C45P C44P 120.2(7) . . ?
C46P C47P C48P 120.2(7) . . ?
O1 C8 O2 124.5(7) . . ?
O1 C8 C6 122.5(7) . . ?
O2 C8 C6 113.1(6) . . ?
C9P C10P C11P 120.2(7) . . ?
C45P C44P C43P 119.4(6) . . ?
C47P C46P C45P 120.5(6) . . ?
Cl8 I5 Cl8 180.0 . 3_688 ?
Cl2 I2 Cl3 174.2(4) . . ?
Cl7 I4 Cl6 173.8(4) . . ?
Cl6D C131 Cl3D 121.6(15) . . ?
Cl1D C1D Cl2D 95.6(8) . . ?

_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_1
_database_code_depnum_ccdc_archive 'CCDC 1415345'
_audit_update_record             
;
2015-07-27 deposited with the CCDC.
2015-11-18 downloaded from the CCDC.
;
_audit_creation_date             2015-07-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        monoclinic
_chemical_formula_moiety         'C63 H51 Br2 O2 Os P3, 2(Br3), C H2 Cl2'
_chemical_formula_sum            'C64 H53 Br8 Cl2 O2 Os P3'
_chemical_formula_weight         1847.35
_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'
Br Br -0.2901 2.4595 '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                   13.0217(3)
_cell_length_b                   22.2992(5)
_cell_length_c                   23.1406(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.857(2)
_cell_angle_gamma                90
_cell_volume                     6551.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6797
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      28.9618
_cell_measurement_theta_min      2.8020
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.023
_exptl_absorpt_correction_T_max  0.509
_exptl_absorpt_correction_T_min  0.308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'dull reddish red'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.873
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3552
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.0823
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            28371
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.808
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_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                8788
_reflns_number_total             11541
_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, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.077
_refine_diff_density_min         -1.873
_refine_diff_density_rms         0.198
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         11541
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0670
_refine_ls_restrained_S_all      1.065
_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)+(0.0651P)²+79.1289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1555
_refine_ls_wR_factor_ref         0.1669
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C1D, C3D}
{Cl1D, Cl6D}
3. Restrained distances
 Cl5D-Cl6D
 2.79 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(Cl3D) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl4D) \\sim Ueq, Uanis(C2D) \\sim Ueq, Uanis(Cl2D) \\sim Ueq: with sigma
of 0.005 and sigma for terminal atoms of 0.01
Uanis(C1D) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl1D) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(C1D) = Uanis(C3D)
Uanis(Cl1D) = Uanis(Cl6D)
5. Others
 Fixed Sof: Cl1D(0.5) Cl6D(0.25) Br2B(0.25) Br2A(0.25) Br4A(0.25) Br4B(0.25)
 Cl2D(0.5) C1D(0.5) H1DA(0.5) H1DB(0.5) C3D(0.25) H3DA(0.25) H3DB(0.25)
 Br2C(0.25) Cl3D(0.25) Cl4D(0.25) C2D(0.25) H2DA(0.25) H2DB(0.25) Br5(0.125)
 Br6(0.125) Cl5D(0.25)
6.a Secondary CH2 refined with riding coordinates:
 C1D(H1DA,H1DB), C3D(H3DA,H3DB), C2D(H2DA,H2DB)
6.b Me refined with riding coordinates:
 C9(H9A,H9B,H9C)
6.c Aromatic/amide H refined with riding coordinates:
 C50P(H50P), C3(H3), C36P(H36P), C1(H1), C20P(H20P), C54P(H54P), C5(H5),
 C30P(H30P), C44P(H44P), C48P(H48P), C46P(H46P), C6P(H6P), C15P(H15P),
 C42P(H42P), C45P(H45P), C47P(H47P), C53P(H53P), C46(H46), C41P(H41P),
 C40P(H40P), C28P(H28P), C14P(H14P), C34P(H34P), C21P(H21P), C11P(H11P),
 C35P(H35P), C29P(H29P), C12P(H12P), C3P(H3P), C51P(H51P), C18P(H18P), C2P(H2P),
  C32P(H32P), C16P(H16P), C52P(H52P), C9P(H9P), C38P(H38P), C33P(H33P),
 C24P(H24P), C39P(H39P), C22P(H22P), C10P(H10P), C17P(H17P), C26P(H26P),
 C27P(H27P), C23P(H23P), C5P(H5P), C4P(H4P)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_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 0.57353(3) 0.27667(2) 0.79692(2) 0.01394(12) Uani 1 1 d . . . A .
Br2 Br 0.47568(9) 0.29408(5) 0.87826(5) 0.0304(3) Uani 1 1 d . . . A .
Br1 Br 0.39550(9) 0.22538(6) 0.72054(6) 0.0385(3) Uani 1 1 d . . . A .
Br1C Br 0.92977(11) 0.34997(8) 0.67771(6) 0.0573(5) Uani 1 1 d . . . B 1
P1 P 0.6256(2) 0.17710(11) 0.83620(12) 0.0174(6) Uani 1 1 d . . . . .
Br1B Br 1.04247(12) 0.25881(8) 0.71679(7) 0.0628(5) Uani 1 1 d . . . B 1
Br1A Br 1.16056(16) 0.17156(9) 0.74986(11) 0.0904(7) Uani 1 1 d . . . B 1
P2 P 0.5199(2) 0.37399(12) 0.75026(12) 0.0165(6) Uani 1 1 d . . . . .
P3 P 0.90219(19) 0.35430(11) 0.89498(11) 0.0140(5) Uani 1 1 d . . . . .
O0AA O 0.4624(6) 0.1872(4) 0.6033(3) 0.038(2) Uani 1 1 d . . . . .
C43P C 1.0184(8) 0.3130(5) 0.8912(4) 0.020(2) Uani 1 1 d . . . . .
O2 O 0.6153(6) 0.2077(4) 0.5798(3) 0.034(2) Uani 1 1 d . . . . .
C50P C 0.7980(8) 0.3810(5) 0.9834(5) 0.023(2) Uani 1 1 d . . . . .
H50P H 0.7525 0.4043 0.9556 0.027 Uiso 1 1 calc R . . . .
C3 C 0.7987(7) 0.2998(4) 0.7879(4) 0.014(2) Uani 1 1 d . . . . .
H3 H 0.8600 0.3007 0.7735 0.016 Uiso 1 1 calc R . . . .
C4 C 0.7052(8) 0.2782(4) 0.7563(4) 0.017(2) Uani 1 1 d . . . . .
C49P C 0.8832(7) 0.3517(4) 0.9687(4) 0.016(2) Uani 1 1 d . . . . .
C2 C 0.7935(8) 0.3207(4) 0.8443(4) 0.016(2) Uani 1 1 d . . . . .
C36P C 0.5954(9) 0.4460(5) 0.8477(5) 0.028(3) Uani 1 1 d . . . . .
H36P H 0.5695 0.4165 0.8690 0.034 Uiso 1 1 calc R . . . .
C6 C 0.5939(8) 0.2333(5) 0.6753(4) 0.021(2) Uani 1 1 d . . . . .
C1 C 0.6944(7) 0.3128(4) 0.8545(4) 0.015(2) Uani 1 1 d . . . . .
H1 H 0.6829 0.3253 0.8909 0.018 Uiso 1 1 calc R . . A .
C20P C 0.6354(9) 0.3843(5) 0.6608(5) 0.031(3) Uani 1 1 d . . . . .
H20P H 0.6939 0.3924 0.6910 0.037 Uiso 1 1 calc R . . . .
C54P C 0.9525(9) 0.3190(4) 1.0124(5) 0.023(2) Uani 1 1 d . . . . .
H54P H 1.0099 0.2993 1.0034 0.027 Uiso 1 1 calc R . . . .
C25P C 0.3827(8) 0.3971(5) 0.7412(5) 0.021(2) Uani 1 1 d . . . . .
C5 C 0.6936(8) 0.2551(4) 0.6993(4) 0.015(2) Uani 1 1 d . . . . .
H5 H 0.7480 0.2544 0.6792 0.018 Uiso 1 1 calc R . . . .
C30P C 0.3083(8) 0.3676(5) 0.7645(5) 0.030(3) Uani 1 1 d . . . . .
H30P H 0.3268 0.3327 0.7862 0.036 Uiso 1 1 calc R . . . .
C44P C 1.1130(8) 0.3438(5) 0.8943(5) 0.027(3) Uani 1 1 d . . . . .
H44P H 1.1141 0.3855 0.8941 0.032 Uiso 1 1 calc R . . . .
C48P C 1.0175(9) 0.2518(5) 0.8924(5) 0.030(3) Uani 1 1 d . . . . .
H48P H 0.9551 0.2315 0.8925 0.036 Uiso 1 1 calc R . . . .
C19P C 0.5381(8) 0.3750(4) 0.6749(5) 0.019(2) Uani 1 1 d . . . . .
C37P C 0.9189(8) 0.4312(4) 0.8748(5) 0.018(2) Uani 1 1 d . . . . .
C7 C 0.5353(8) 0.2423(5) 0.7183(5) 0.021(2) Uani 1 1 d . . . . .
C46P C 1.2021(9) 0.2512(6) 0.8973(6) 0.044(3) Uani 1 1 d . . . . .
H46P H 1.2643 0.2300 0.8996 0.053 Uiso 1 1 calc R . . . .
C6P C 0.5650(11) 0.0740(5) 0.8852(6) 0.038(3) Uani 1 1 d . . . . .
H6P H 0.6357 0.0641 0.8892 0.046 Uiso 1 1 calc R . . . .
C1P C 0.5275(9) 0.1280(5) 0.8591(5) 0.025(3) Uani 1 1 d . . . . .
C15P C 0.8031(10) 0.1096(5) 0.7259(5) 0.031(3) Uani 1 1 d . . . . .
H15P H 0.8718 0.1129 0.7210 0.037 Uiso 1 1 calc R . . . .
C42P C 0.9144(9) 0.4454(5) 0.8168(5) 0.025(2) Uani 1 1 d . . . . .
H42P H 0.8969 0.4162 0.7876 0.030 Uiso 1 1 calc R . . . .
C45P C 1.2042(9) 0.3117(5) 0.8977(5) 0.033(3) Uani 1 1 d . . . . .
H45P H 1.2677 0.3318 0.9003 0.039 Uiso 1 1 calc R . . . .
C13P C 0.6716(8) 0.1334(4) 0.7807(4) 0.018(2) Uani 1 1 d . . . . .
C47P C 1.1084(10) 0.2201(6) 0.8935(6) 0.046(3) Uani 1 1 d . . . . .
H47P H 1.1072 0.1784 0.8918 0.055 Uiso 1 1 calc R . . . .
C53P C 0.9350(11) 0.3162(5) 1.0682(5) 0.033(3) Uani 1 1 d . . . . .
H53P H 0.9829 0.2957 1.0973 0.039 Uiso 1 1 calc R . . . .
C8 C 0.5594(9) 0.2083(5) 0.6141(5) 0.026(3) Uani 1 1 d . . . . .
C31P C 0.5886(8) 0.4388(4) 0.7866(5) 0.019(2) Uani 1 1 d . . . . .
C46 C 0.7108(8) 0.2081(4) 0.9522(5) 0.020(2) Uani 1 1 d . . . . .
H46 H 0.6529 0.2335 0.9475 0.024 Uiso 1 1 calc R . . . .
C41P C 0.9358(10) 0.5029(5) 0.8017(5) 0.032(3) Uani 1 1 d . . . . .
H41P H 0.9316 0.5124 0.7621 0.038 Uiso 1 1 calc R . . . .
C40P C 0.9630(9) 0.5462(5) 0.8439(5) 0.031(3) Uani 1 1 d . . . . .
H40P H 0.9803 0.5847 0.8337 0.037 Uiso 1 1 calc R . . . .
C7P C 0.7287(8) 0.1752(4) 0.9037(4) 0.018(2) Uani 1 1 d . . . . .
C28P C 0.1777(10) 0.4407(6) 0.7231(6) 0.042(3) Uani 1 1 d . . . . .
H28P H 0.1089 0.4548 0.7165 0.051 Uiso 1 1 calc R . . . .
C14P C 0.7742(8) 0.1402(4) 0.7721(4) 0.020(2) Uani 1 1 d . . . . .
H14P H 0.8222 0.1648 0.7970 0.024 Uiso 1 1 calc R . . . .
C34P C 0.6798(10) 0.5419(5) 0.8439(7) 0.045(4) Uani 1 1 d . . . . .
H34P H 0.7119 0.5759 0.8630 0.054 Uiso 1 1 calc R . . . .
C21P C 0.6471(10) 0.3816(6) 0.6028(6) 0.040(3) Uani 1 1 d . . . . .
H21P H 0.7126 0.3890 0.5945 0.047 Uiso 1 1 calc R . . . .
C11P C 0.8834(10) 0.1342(6) 0.9669(5) 0.040(3) Uani 1 1 d . . . . .
H11P H 0.9420 0.1092 0.9719 0.047 Uiso 1 1 calc R . . . .
C35P C 0.6418(10) 0.4983(5) 0.8765(6) 0.039(3) Uani 1 1 d . . . . .
H35P H 0.6468 0.5036 0.9169 0.046 Uiso 1 1 calc R . . . .
C29P C 0.2062(9) 0.3892(6) 0.7562(6) 0.042(3) Uani 1 1 d . . . . .
H29P H 0.1570 0.3692 0.7727 0.050 Uiso 1 1 calc R . . . .
C12P C 0.8157(9) 0.1381(5) 0.9127(5) 0.026(3) Uani 1 1 d . . . . .
H12P H 0.8284 0.1153 0.8814 0.032 Uiso 1 1 calc R . . . .
C3P C 0.3576(12) 0.1015(7) 0.8735(8) 0.068(5) Uani 1 1 d . . . . .
H3P H 0.2868 0.1108 0.8694 0.081 Uiso 1 1 calc R . . . .
C51P C 0.7823(10) 0.3747(6) 1.0415(6) 0.038(3) Uani 1 1 d . . . . .
H51P H 0.7246 0.3928 1.0518 0.046 Uiso 1 1 calc R . . . .
C18P C 0.5991(10) 0.0990(4) 0.7411(5) 0.028(3) Uani 1 1 d . . . . .
H18P H 0.5302 0.0954 0.7457 0.033 Uiso 1 1 calc R . . . .
C2P C 0.4232(10) 0.1418(5) 0.8525(6) 0.039(3) Uani 1 1 d . . . . .
H2P H 0.3963 0.1775 0.8344 0.047 Uiso 1 1 calc R . . . .
C32P C 0.6253(8) 0.4853(5) 0.7563(5) 0.029(3) Uani 1 1 d . . . . .
H32P H 0.6187 0.4822 0.7156 0.035 Uiso 1 1 calc R . . . .
C16P C 0.7331(11) 0.0749(5) 0.6878(5) 0.038(3) Uani 1 1 d . . . . .
H16P H 0.7544 0.0545 0.6574 0.046 Uiso 1 1 calc R . . . .
C52P C 0.8518(10) 0.3419(5) 1.0828(5) 0.031(3) Uani 1 1 d . . . . .
H52P H 0.8409 0.3377 1.1210 0.038 Uiso 1 1 calc R . . . .
C9P C 0.7796(10) 0.2027(5) 1.0077(5) 0.030(3) Uani 1 1 d . . . . .
H9P H 0.7667 0.2236 1.0401 0.036 Uiso 1 1 calc R . . . .
C38P C 0.9437(10) 0.4750(5) 0.9181(5) 0.033(3) Uani 1 1 d . . . . .
H38P H 0.9463 0.4658 0.9576 0.040 Uiso 1 1 calc R . . . .
C33P C 0.6715(10) 0.5359(5) 0.7858(7) 0.040(3) Uani 1 1 d . . . . .
H33P H 0.6969 0.5659 0.7648 0.048 Uiso 1 1 calc R . . . .
C24P C 0.4551(10) 0.3616(5) 0.6277(5) 0.031(3) Uani 1 1 d . . . . .
H24P H 0.3887 0.3550 0.6351 0.038 Uiso 1 1 calc R . . . .
C39P C 0.9644(11) 0.5319(5) 0.9018(5) 0.039(3) Uani 1 1 d . . . . .
H39P H 0.9798 0.5616 0.9306 0.046 Uiso 1 1 calc R . . . .
C22P C 0.5645(12) 0.3684(6) 0.5584(6) 0.051(4) Uani 1 1 d . . . . .
H22P H 0.5732 0.3666 0.5197 0.061 Uiso 1 1 calc R . . . .
C10P C 0.8662(11) 0.1665(5) 1.0139(5) 0.038(3) Uani 1 1 d . . . . .
H10P H 0.9136 0.1639 1.0504 0.046 Uiso 1 1 calc R . . . .
C17P C 0.6309(12) 0.0699(5) 0.6941(5) 0.039(3) Uani 1 1 d . . . . .
H17P H 0.5826 0.0471 0.6672 0.047 Uiso 1 1 calc R . . . .
C26P C 0.3528(9) 0.4498(5) 0.7091(6) 0.033(3) Uani 1 1 d . . . . .
H26P H 0.4019 0.4711 0.6936 0.039 Uiso 1 1 calc R . . . .
C27P C 0.2502(9) 0.4702(5) 0.7005(6) 0.038(3) Uani 1 1 d . . . . .
H27P H 0.2308 0.5050 0.6786 0.045 Uiso 1 1 calc R . . . .
C23P C 0.4679(11) 0.3577(6) 0.5700(5) 0.046(4) Uani 1 1 d . . . . .
H23P H 0.4111 0.3479 0.5394 0.055 Uiso 1 1 calc R . . . .
C9 C 0.4262(13) 0.1645(8) 0.5425(7) 0.069(5) Uani 1 1 d . . . . .
H9A H 0.3553 0.1500 0.5372 0.103 Uiso 1 1 calc R . . . .
H9B H 0.4713 0.1323 0.5359 0.103 Uiso 1 1 calc R . . . .
H9C H 0.4284 0.1962 0.5148 0.103 Uiso 1 1 calc R . . . .
C5P C 0.4993(13) 0.0346(6) 0.9053(6) 0.049(4) Uani 1 1 d . . . . .
H5P H 0.5257 -0.0015 0.9226 0.059 Uiso 1 1 calc R . . . .
C4P C 0.3956(14) 0.0484(7) 0.8999(8) 0.068(5) Uani 1 1 d . . . . .
H4P H 0.3512 0.0222 0.9140 0.081 Uiso 1 1 calc R . . . .
Br3A Br 0.5000 0.5000 1.0000 0.0719(8) Uani 1 2 d S T P . .
Br3B Br 0.3183(2) 0.46509(8) 0.94755(9) 0.1008(8) Uani 1 1 d . . . . .
Cl1D Cl 1.0419(10) 0.0491(5) 0.8649(5) 0.107(4) Uani 0.5 1 d . U . C 3
Cl6D Cl 1.0419(10) 0.0491(5) 0.8649(5) 0.107(4) Uani 0.25 1 d D . . D 4
Br2B Br 1.1291(5) 0.0380(3) 0.9447(3) 0.0555(16) Uani 0.25 1 d . . . E 1
Br2A Br 1.2345(6) 0.0211(3) 1.0413(4) 0.078(2) Uani 0.25 1 d . . . E 1
Br4A Br 1.1965(8) 0.2366(7) 1.0774(5) 0.095(5) Uani 0.25 1 d . . . F 3
Br4B Br 1.1744(5) 0.1210(4) 1.0493(3) 0.077(2) Uani 0.25 1 d . . . F 3
Cl2D Cl 1.1697(11) -0.0086(5) 0.9630(6) 0.110(4) Uani 0.5 1 d . U . C 3
C1D C 1.051(2) -0.0050(10) 0.9094(12) 0.079(7) Uani 0.5 1 d . U . C 3
H1DA H 1.0432 -0.0420 0.8869 0.095 Uiso 0.5 1 calc R . . C 3
H1DB H 0.9936 -0.0027 0.9295 0.095 Uiso 0.5 1 calc R . . C 3
C3D C 1.051(2) -0.0050(10) 0.9094(12) 0.079(7) Uani 0.25 1 d . . . D 4
H3DA H 0.9861 -0.0121 0.9219 0.095 Uiso 0.25 1 calc R . . D 4
H3DB H 1.1084 0.0006 0.9439 0.095 Uiso 0.25 1 calc R . . D 4
Br2C Br 1.0161(7) 0.0611(4) 0.8441(4) 0.0461(18) Uani 0.25 1 d . . . E 1
Cl3D Cl 1.0085(16) 0.1925(10) 0.7501(10) 0.092(6) Uani 0.25 1 d . U . G 2
Cl4D Cl 1.0327(18) 0.1008(12) 0.8176(11) 0.096(6) Uani 0.25 1 d . U . G 2
C2D C 1.074(4) 0.137(2) 0.780(2) 0.045(13) Uani 0.25 1 d . U . G 2
H2DA H 1.0887 0.1122 0.7482 0.054 Uiso 0.25 1 calc R . . G 2
H2DB H 1.1417 0.1523 0.8019 0.054 Uiso 0.25 1 calc R . . G 2
Br5 Br 1.1505(11) 0.1648(8) 1.1008(7) 0.081(5) Uani 0.125 1 d . . . H 1
Br6 Br 1.2238(19) 0.2453(8) 1.0641(15) 0.131(14) Uani 0.125 1 d . . . I 2
Cl5D Cl 1.0816(19) -0.0682(8) 0.8585(9) 0.109(8) Uani 0.25 1 d D . . D 4


_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 Br2 2.5268(12) . ?
Os1 Br1 2.8254(12) . ?
Os1 P1 2.437(3) . ?
Os1 P2 2.455(3) . ?
Os1 C4 2.131(9) . ?
Os1 C1 1.992(10) . ?
Os1 C7 1.935(11) . ?
Br1 C7 1.872(10) . ?
Br1C Br1B 2.552(3) . ?
P1 C1P 1.847(10) . ?
P1 C13P 1.817(10) . ?
P1 C7P 1.819(10) . ?
Br1B Br1A 2.492(3) . ?
P2 C25P 1.825(10) . ?
P2 C19P 1.812(10) . ?
P2 C31P 1.806(10) . ?
P3 C43P 1.790(11) . ?
P3 C49P 1.777(10) . ?
P3 C2 1.790(10) . ?
P3 C37P 1.804(10) . ?
O0AA C8 1.319(14) . ?
O0AA C9 1.471(15) . ?
C43P C44P 1.398(14) . ?
C43P C48P 1.365(15) . ?
O2 C8 1.189(13) . ?
C50P C49P 1.394(14) . ?
C50P C51P 1.411(15) . ?
C3 C4 1.362(14) . ?
C3 C2 1.400(13) . ?
C4 C5 1.392(13) . ?
C49P C54P 1.402(14) . ?
C2 C1 1.374(13) . ?
C36P C31P 1.407(15) . ?
C36P C35P 1.411(15) . ?
C6 C5 1.382(14) . ?
C6 C7 1.395(14) . ?
C6 C8 1.496(14) . ?
C20P C19P 1.392(15) . ?
C20P C21P 1.384(16) . ?
C54P C53P 1.362(15) . ?
C25P C30P 1.376(15) . ?
C25P C26P 1.398(16) . ?
C30P C29P 1.387(16) . ?
C44P C45P 1.374(15) . ?
C48P C47P 1.375(17) . ?
C19P C24P 1.386(16) . ?
C37P C42P 1.367(14) . ?
C37P C38P 1.385(15) . ?
C46P C45P 1.350(17) . ?
C46P C47P 1.389(18) . ?
C6P C1P 1.387(17) . ?
C6P C5P 1.378(16) . ?
C1P C2P 1.368(16) . ?
C15P C14P 1.389(15) . ?
C15P C16P 1.360(18) . ?
C42P C41P 1.372(15) . ?
C13P C14P 1.402(14) . ?
C13P C18P 1.390(14) . ?
C53P C52P 1.334(17) . ?
C31P C32P 1.392(15) . ?
C46 C7P 1.404(14) . ?
C46 C9P 1.398(15) . ?
C41P C40P 1.363(16) . ?
C40P C39P 1.372(16) . ?
C7P C12P 1.381(15) . ?
C28P C29P 1.382(19) . ?
C28P C27P 1.349(18) . ?
C34P C35P 1.388(19) . ?
C34P C33P 1.331(19) . ?
C21P C22P 1.34(2) . ?
C11P C12P 1.367(16) . ?
C11P C10P 1.363(17) . ?
C3P C2P 1.400(18) . ?
C3P C4P 1.37(2) . ?
C51P C52P 1.371(18) . ?
C18P C17P 1.407(16) . ?
C32P C33P 1.384(16) . ?
C16P C17P 1.376(19) . ?
C9P C10P 1.369(17) . ?
C38P C39P 1.368(15) . ?
C24P C23P 1.384(16) . ?
C22P C23P 1.36(2) . ?
C26P C27P 1.383(15) . ?
C5P C4P 1.36(2) . ?
Br3A Br3B 2.530(2) 3_667 ?
Br3A Br3B 2.530(2) . ?
Cl1D C1D 1.57(3) . ?
Br2B Br2A 2.380(10) . ?
Br2B Br2C 2.515(11) . ?
Br4A Br4B 2.658(18) . ?
Cl2D C1D 1.75(3) . ?
Cl3D C2D 1.57(6) . ?
Cl4D C2D 1.39(6) . ?

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
Br2 Os1 Br1 92.79(4) . . ?
P1 Os1 Br2 90.38(7) . . ?
P1 Os1 Br1 89.19(7) . . ?
P1 Os1 P2 175.93(9) . . ?
P2 Os1 Br2 92.90(7) . . ?
P2 Os1 Br1 88.23(7) . . ?
C4 Os1 Br2 156.2(3) . . ?
C4 Os1 Br1 111.0(3) . . ?
C4 Os1 P1 89.7(3) . . ?
C4 Os1 P2 88.3(3) . . ?
C1 Os1 Br2 83.9(3) . . ?
C1 Os1 Br1 176.7(3) . . ?
C1 Os1 P1 90.4(3) . . ?
C1 Os1 P2 92.4(3) . . ?
C1 Os1 C4 72.2(4) . . ?
C7 Os1 Br2 134.0(3) . . ?
C7 Os1 Br1 41.2(3) . . ?
C7 Os1 P1 89.0(3) . . ?
C7 Os1 P2 87.0(3) . . ?
C7 Os1 C4 69.8(4) . . ?
C7 Os1 C1 142.1(4) . . ?
C7 Br1 Os1 43.0(3) . . ?
C1P P1 Os1 119.6(4) . . ?
C13P P1 Os1 109.5(3) . . ?
C13P P1 C1P 104.1(5) . . ?
C13P P1 C7P 107.3(5) . . ?
C7P P1 Os1 115.6(3) . . ?
C7P P1 C1P 99.5(5) . . ?
Br1A Br1B Br1C 175.89(9) . . ?
C25P P2 Os1 118.4(4) . . ?
C19P P2 Os1 110.4(3) . . ?
C19P P2 C25P 102.7(5) . . ?
C31P P2 Os1 116.1(3) . . ?
C31P P2 C25P 101.5(5) . . ?
C31P P2 C19P 106.3(5) . . ?
C43P P3 C37P 108.9(5) . . ?
C49P P3 C43P 109.3(5) . . ?
C49P P3 C2 110.9(4) . . ?
C49P P3 C37P 109.3(5) . . ?
C2 P3 C43P 107.8(5) . . ?
C2 P3 C37P 110.6(5) . . ?
C8 O0AA C9 113.1(10) . . ?
C44P C43P P3 119.3(8) . . ?
C48P C43P P3 120.1(8) . . ?
C48P C43P C44P 120.1(10) . . ?
C49P C50P C51P 118.6(11) . . ?
C4 C3 C2 113.3(8) . . ?
C3 C4 Os1 118.7(7) . . ?
C3 C4 C5 122.4(9) . . ?
C5 C4 Os1 118.9(7) . . ?
C50P C49P P3 120.5(8) . . ?
C50P C49P C54P 119.1(9) . . ?
C54P C49P P3 120.3(8) . . ?
C3 C2 P3 123.7(7) . . ?
C1 C2 P3 125.2(8) . . ?
C1 C2 C3 111.1(9) . . ?
C31P C36P C35P 119.6(11) . . ?
C5 C6 C7 106.0(9) . . ?
C5 C6 C8 124.7(10) . . ?
C7 C6 C8 129.2(10) . . ?
C2 C1 Os1 124.7(7) . . ?
C21P C20P C19P 121.5(12) . . ?
C53P C54P C49P 119.4(11) . . ?
C30P C25P P2 125.2(9) . . ?
C30P C25P C26P 118.1(10) . . ?
C26P C25P P2 116.6(8) . . ?
C6 C5 C4 113.9(9) . . ?
C25P C30P C29P 121.1(11) . . ?
C45P C44P C43P 119.2(10) . . ?
C43P C48P C47P 120.2(11) . . ?
C20P C19P P2 123.2(8) . . ?
C24P C19P P2 120.6(8) . . ?
C24P C19P C20P 116.0(10) . . ?
C42P C37P P3 119.6(8) . . ?
C42P C37P C38P 120.0(10) . . ?
C38P C37P P3 120.3(8) . . ?
Br1 C7 Os1 95.8(5) . . ?
C6 C7 Os1 131.3(8) . . ?
C6 C7 Br1 132.9(8) . . ?
C45P C46P C47P 121.1(11) . . ?
C5P C6P C1P 121.1(13) . . ?
C6P C1P P1 116.2(9) . . ?
C2P C1P P1 124.5(9) . . ?
C2P C1P C6P 119.3(10) . . ?
C16P C15P C14P 121.5(11) . . ?
C37P C42P C41P 119.9(10) . . ?
C46P C45P C44P 120.3(11) . . ?
C14P C13P P1 121.1(8) . . ?
C18P C13P P1 118.6(8) . . ?
C18P C13P C14P 119.7(10) . . ?
C48P C47P C46P 119.0(12) . . ?
C52P C53P C54P 122.5(11) . . ?
O0AA C8 C6 112.6(10) . . ?
O2 C8 O0AA 125.0(10) . . ?
O2 C8 C6 122.4(10) . . ?
C36P C31P P2 118.2(8) . . ?
C32P C31P P2 123.5(8) . . ?
C32P C31P C36P 117.9(10) . . ?
C9P C46 C7P 120.3(10) . . ?
C40P C41P C42P 121.0(11) . . ?
C41P C40P C39P 118.6(10) . . ?
C46 C7P P1 116.9(8) . . ?
C12P C7P P1 124.6(8) . . ?
C12P C7P C46 117.9(10) . . ?
C27P C28P C29P 119.7(12) . . ?
C15P C14P C13P 119.0(10) . . ?
C33P C34P C35P 121.4(11) . . ?
C22P C21P C20P 120.5(12) . . ?
C10P C11P C12P 120.8(11) . . ?
C34P C35P C36P 119.2(12) . . ?
C28P C29P C30P 119.7(12) . . ?
C11P C12P C7P 121.1(10) . . ?
C4P C3P C2P 121.5(14) . . ?
C52P C51P C50P 120.3(11) . . ?
C13P C18P C17P 119.4(11) . . ?
C1P C2P C3P 118.9(13) . . ?
C33P C32P C31P 121.3(12) . . ?
C15P C16P C17P 120.1(11) . . ?
C53P C52P C51P 120.0(10) . . ?
C10P C9P C46 119.4(11) . . ?
C39P C38P C37P 118.8(11) . . ?
C34P C33P C32P 120.5(12) . . ?
C23P C24P C19P 122.2(12) . . ?
C38P C39P C40P 121.7(11) . . ?
C21P C22P C23P 120.3(12) . . ?
C11P C10P C9P 120.4(12) . . ?
C16P C17P C18P 120.2(11) . . ?
C27P C26P C25P 120.0(12) . . ?
C28P C27P C26P 121.3(12) . . ?
C22P C23P C24P 119.5(13) . . ?
C4P C5P C6P 120.1(15) . . ?
C5P C4P C3P 119.1(13) . . ?
Br3B Br3A Br3B 180.0 . 3_667 ?
Br2A Br2B Br2C 177.1(4) . . ?
Cl1D C1D Cl2D 115.3(16) . . ?
Cl4D C2D Cl3D 119(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
