# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_tf02
_database_code_depnum_ccdc_archive 'CCDC 1446694'
_audit_update_record             
;
2016-01-14 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H84 Cl2 O2 Os P2'
_chemical_formula_weight         968.15

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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.5196(2)
_cell_length_b                   17.5887(4)
_cell_length_c                   19.9465(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.7740(10)
_cell_angle_gamma                90.00
_cell_volume                     4710.01(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9288
_cell_measurement_theta_min      1.73
_cell_measurement_theta_max      27.51

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2016
_exptl_absorpt_coefficient_mu    2.921
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5287
_exptl_absorpt_correction_T_max  0.5927
_exptl_absorpt_process_details   Scalepack

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17404
_diffrn_reflns_av_R_equivalents  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         27.51
_reflns_number_total             10779
_reflns_number_gt                8257
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Nonius Collect'
_computing_cell_refinement       DENZO-SMN
_computing_data_reduction        DENZO-SMN
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0362P)²+0.2918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10779
_refine_ls_number_parameters     488
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0680
_refine_ls_wR_factor_gt          0.0613
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.972260(6) 0.749017(5) 0.032166(4) 0.02207(4) Uani 1 1 d D . .
P1 P 1.12392(4) 0.78886(4) 0.09848(3) 0.02188(12) Uani 1 1 d . . .
P2 P 0.83304(4) 0.71073(4) -0.04690(3) 0.02176(12) Uani 1 1 d . . .
C11 C 1.21904(16) 0.71573(14) 0.11694(11) 0.0265(5) Uani 1 1 d . . .
H11A H 1.2753 0.7381 0.1468 0.032 Uiso 1 1 calc R . .
H11B H 1.1906 0.6745 0.1425 0.032 Uiso 1 1 calc R . .
C12 C 1.26053(16) 0.68039(14) 0.05545(12) 0.0282(5) Uani 1 1 d . . .
H12A H 1.2056 0.6746 0.0183 0.034 Uiso 1 1 calc R . .
H12B H 1.3103 0.7154 0.0398 0.034 Uiso 1 1 calc R . .
C13 C 1.30893(18) 0.60336(14) 0.07090(12) 0.0328(6) Uani 1 1 d . . .
H13A H 1.2610 0.5700 0.0907 0.039 Uiso 1 1 calc R . .
H13B H 1.3675 0.6101 0.1052 0.039 Uiso 1 1 calc R . .
C14 C 1.34238(17) 0.56405(15) 0.00922(13) 0.0339(6) Uani 1 1 d . . .
H14A H 1.3840 0.5998 -0.0136 0.041 Uiso 1 1 calc R . .
H14B H 1.3845 0.5199 0.0245 0.041 Uiso 1 1 calc R . .
C15 C 1.25702(16) 0.53671(14) -0.04166(12) 0.0300(5) Uani 1 1 d . . .
H15A H 1.2145 0.5807 -0.0570 0.036 Uiso 1 1 calc R . .
H15B H 1.2157 0.5004 -0.0192 0.036 Uiso 1 1 calc R . .
C16 C 1.29260(17) 0.49822(13) -0.10298(12) 0.0297(5) Uani 1 1 d . . .
H16A H 1.3438 0.4600 -0.0870 0.036 Uiso 1 1 calc R . .
H16B H 1.3248 0.5369 -0.1292 0.036 Uiso 1 1 calc R . .
C17 C 1.21078(18) 0.45900(14) -0.14983(13) 0.0329(6) Uani 1 1 d . . .
H17A H 1.2422 0.4303 -0.1844 0.039 Uiso 1 1 calc R . .
H17B H 1.1769 0.4218 -0.1231 0.039 Uiso 1 1 calc R . .
C18 C 1.13261(17) 0.51198(14) -0.18557(12) 0.0325(6) Uani 1 1 d . . .
H18A H 1.1006 0.5408 -0.1514 0.039 Uiso 1 1 calc R . .
H18B H 1.1657 0.5490 -0.2130 0.039 Uiso 1 1 calc R . .
C19 C 1.05283(18) 0.46952(15) -0.23118(13) 0.0358(6) Uani 1 1 d . . .
H19A H 1.0148 0.4372 -0.2026 0.043 Uiso 1 1 calc R . .
H19B H 1.0861 0.4354 -0.2610 0.043 Uiso 1 1 calc R . .
C20 C 0.97946(18) 0.52004(16) -0.27516(12) 0.0373(6) Uani 1 1 d . . .
H20A H 1.0167 0.5488 -0.3067 0.045 Uiso 1 1 calc R . .
H20B H 0.9311 0.4870 -0.3026 0.045 Uiso 1 1 calc R . .
C21 C 0.92164(17) 0.57648(14) -0.23657(12) 0.0310(5) Uani 1 1 d . . .
H21A H 0.9698 0.6076 -0.2071 0.037 Uiso 1 1 calc R . .
H21B H 0.8841 0.6111 -0.2694 0.037 Uiso 1 1 calc R . .
C22 C 0.84904(17) 0.53991(15) -0.19335(13) 0.0341(6) Uani 1 1 d . . .
H22A H 0.8857 0.5036 -0.1616 0.041 Uiso 1 1 calc R . .
H22B H 0.7985 0.5109 -0.2229 0.041 Uiso 1 1 calc R . .
C23 C 0.79626(16) 0.59876(15) -0.15310(12) 0.0313(6) Uani 1 1 d . . .
H23A H 0.7705 0.6408 -0.1833 0.038 Uiso 1 1 calc R . .
H23B H 0.7391 0.5746 -0.1347 0.038 Uiso 1 1 calc R . .
C24 C 0.86887(16) 0.63020(14) -0.09542(12) 0.0290(5) Uani 1 1 d . . .
H24A H 0.9306 0.6444 -0.1145 0.035 Uiso 1 1 calc R . .
H24B H 0.8863 0.5880 -0.0633 0.035 Uiso 1 1 calc R . .
C31 C 1.17880(15) 0.86745(14) 0.05630(11) 0.0287(5) Uani 1 1 d . . .
H31A H 1.1899 0.8498 0.0107 0.034 Uiso 1 1 calc R . .
H31B H 1.1285 0.9085 0.0501 0.034 Uiso 1 1 calc R . .
C32 C 1.27595(16) 0.90270(14) 0.08865(12) 0.0299(5) Uani 1 1 d . . .
H32A H 1.3267 0.8624 0.0983 0.036 Uiso 1 1 calc R . .
H32B H 1.2650 0.9270 0.1319 0.036 Uiso 1 1 calc R . .
C33 C 1.31410(17) 0.96238(14) 0.04159(12) 0.0316(5) Uani 1 1 d . . .
H33A H 1.2592 0.9978 0.0261 0.038 Uiso 1 1 calc R . .
H33B H 1.3680 0.9923 0.0672 0.038 Uiso 1 1 calc R . .
C34 C 1.35356(16) 0.92672(15) -0.01985(12) 0.0308(5) Uani 1 1 d . . .
H34A H 1.4122 0.8950 -0.0041 0.037 Uiso 1 1 calc R . .
H34B H 1.3017 0.8927 -0.0425 0.037 Uiso 1 1 calc R . .
C35 C 1.38350(16) 0.98353(16) -0.07157(13) 0.0368(6) Uani 1 1 d . . .
H35A H 1.4144 0.9553 -0.1066 0.044 Uiso 1 1 calc R . .
H35B H 1.4348 1.0179 -0.0487 0.044 Uiso 1 1 calc R . .
C36 C 1.29840(17) 1.03191(15) -0.10629(13) 0.0344(6) Uani 1 1 d . . .
H36A H 1.2711 1.0634 -0.0717 0.041 Uiso 1 1 calc R . .
H36B H 1.3260 1.0670 -0.1382 0.041 Uiso 1 1 calc R . .
C37 C 1.21303(16) 0.98701(14) -0.14480(13) 0.0309(5) Uani 1 1 d . . .
H37A H 1.2404 0.9502 -0.1753 0.037 Uiso 1 1 calc R . .
H37B H 1.1777 0.9580 -0.1124 0.037 Uiso 1 1 calc R . .
C38 C 1.13960(17) 1.03967(14) -0.18606(13) 0.0318(5) Uani 1 1 d . . .
H38A H 1.1128 1.0762 -0.1550 0.038 Uiso 1 1 calc R . .
H38B H 1.1761 1.0692 -0.2175 0.038 Uiso 1 1 calc R . .
C39 C 1.05257(16) 0.99913(14) -0.22664(12) 0.0292(5) Uani 1 1 d . . .
H39A H 1.0145 1.0367 -0.2564 0.035 Uiso 1 1 calc R . .
H39B H 1.0793 0.9606 -0.2559 0.035 Uiso 1 1 calc R . .
C40 C 0.98154(16) 0.95993(14) -0.18373(12) 0.0287(5) Uani 1 1 d . . .
H40A H 0.9610 0.9966 -0.1504 0.034 Uiso 1 1 calc R . .
H40B H 1.0168 0.9175 -0.1586 0.034 Uiso 1 1 calc R . .
C41 C 0.88886(16) 0.92907(14) -0.22624(12) 0.0308(5) Uani 1 1 d . . .
H41A H 0.9099 0.8917 -0.2588 0.037 Uiso 1 1 calc R . .
H41B H 0.8553 0.9715 -0.2525 0.037 Uiso 1 1 calc R . .
C42 C 0.81397(16) 0.89112(15) -0.18533(13) 0.0332(6) Uani 1 1 d . . .
H42A H 0.7979 0.9265 -0.1496 0.040 Uiso 1 1 calc R . .
H42B H 0.7517 0.8810 -0.2154 0.040 Uiso 1 1 calc R . .
C43 C 0.85213(16) 0.81687(14) -0.15284(12) 0.0268(5) Uani 1 1 d . . .
H43A H 0.9180 0.8258 -0.1267 0.032 Uiso 1 1 calc R . .
H43B H 0.8611 0.7795 -0.1887 0.032 Uiso 1 1 calc R . .
C44 C 0.78142(15) 0.78374(14) -0.10602(11) 0.0257(5) Uani 1 1 d . . .
H44A H 0.7232 0.7619 -0.1343 0.031 Uiso 1 1 calc R . .
H44B H 0.7567 0.8260 -0.0797 0.031 Uiso 1 1 calc R . .
C51 C 1.10603(16) 0.82375(13) 0.18225(11) 0.0256(5) Uani 1 1 d . . .
H51A H 1.1673 0.8504 0.2016 0.031 Uiso 1 1 calc R . .
H51B H 1.0511 0.8613 0.1778 0.031 Uiso 1 1 calc R . .
C52 C 1.08184(18) 0.76127(12) 0.23146(12) 0.0245(5) Uani 1 1 d . . .
H52A H 1.0419 0.7212 0.2061 0.029 Uiso 1 1 calc R . .
H52B H 1.1447 0.7378 0.2521 0.029 Uiso 1 1 calc R . .
C53 C 1.02450(16) 0.79148(14) 0.28729(11) 0.0267(5) Uani 1 1 d . . .
H53A H 0.9657 0.8202 0.2665 0.032 Uiso 1 1 calc R . .
H53B H 1.0676 0.8274 0.3156 0.032 Uiso 1 1 calc R . .
C54 C 0.98950(18) 0.72950(15) 0.33240(13) 0.0288(5) Uani 1 1 d . . .
H54A H 1.0485 0.7050 0.3576 0.035 Uiso 1 1 calc R . .
H54B H 0.9534 0.6902 0.3036 0.035 Uiso 1 1 calc R . .
C55 C 0.9215(2) 0.75887(14) 0.38279(15) 0.0323(6) Uani 1 1 d . . .
H55A H 0.9574 0.7988 0.4110 0.039 Uiso 1 1 calc R . .
H55B H 0.9075 0.7166 0.4131 0.039 Uiso 1 1 calc R . .
C56 C 0.82255(17) 0.79154(14) 0.35011(13) 0.0312(5) Uani 1 1 d . . .
H56A H 0.7872 0.8145 0.3858 0.037 Uiso 1 1 calc R . .
H56B H 0.8367 0.8327 0.3188 0.037 Uiso 1 1 calc R . .
C57 C 0.75378(19) 0.73380(14) 0.31135(14) 0.0295(6) Uani 1 1 d . . .
H57A H 0.7928 0.7029 0.2824 0.035 Uiso 1 1 calc R . .
H57B H 0.7269 0.6991 0.3439 0.035 Uiso 1 1 calc R . .
C58 C 0.66763(19) 0.77095(15) 0.26754(14) 0.0309(6) Uani 1 1 d . . .
H58A H 0.6943 0.8020 0.2324 0.037 Uiso 1 1 calc R . .
H58B H 0.6321 0.8054 0.2958 0.037 Uiso 1 1 calc R . .
C59 C 0.59402(17) 0.71306(15) 0.23359(12) 0.0322(5) Uani 1 1 d . . .
H59A H 0.5584 0.6890 0.2687 0.039 Uiso 1 1 calc R . .
H59B H 0.6320 0.6727 0.2134 0.039 Uiso 1 1 calc R . .
C60 C 0.5169(2) 0.74520(14) 0.17870(15) 0.0321(6) Uani 1 1 d . . .
H60A H 0.4814 0.7876 0.1982 0.038 Uiso 1 1 calc R . .
H60B H 0.4672 0.7051 0.1649 0.038 Uiso 1 1 calc R . .
C61 C 0.55956(19) 0.77429(16) 0.11553(14) 0.0325(6) Uani 1 1 d . . .
H61A H 0.5053 0.7981 0.0849 0.039 Uiso 1 1 calc R . .
H61B H 0.6098 0.8140 0.1291 0.039 Uiso 1 1 calc R . .
C62 C 0.60766(17) 0.71217(14) 0.07726(12) 0.0286(5) Uani 1 1 d . . .
H62A H 0.5550 0.6776 0.0564 0.034 Uiso 1 1 calc R . .
H62B H 0.6529 0.6821 0.1097 0.034 Uiso 1 1 calc R . .
C63 C 0.66653(17) 0.74256(12) 0.02227(13) 0.0256(5) Uani 1 1 d . . .
H63A H 0.7147 0.7812 0.0420 0.031 Uiso 1 1 calc R . .
H63B H 0.6203 0.7676 -0.0132 0.031 Uiso 1 1 calc R . .
C64 C 0.72284(15) 0.67911(13) -0.00973(12) 0.0274(5) Uani 1 1 d . . .
H64A H 0.6767 0.6542 -0.0453 0.033 Uiso 1 1 calc R . .
H64B H 0.7435 0.6405 0.0252 0.033 Uiso 1 1 calc R . .
Cl1 Cl 1.06898(4) 0.74822(3) -0.06408(3) 0.02533(13) Uani 1 1 d . . .
O1 O 0.85217(14) 0.74958(10) 0.15012(10) 0.0393(5) Uani 1 1 d D . .
C1 C 0.89749(18) 0.74912(13) 0.10579(13) 0.0273(5) Uani 1 1 d D . .
Cl2 Cl 0.9277(3) 0.8769(2) 0.0140(3) 0.0250(6) Uani 0.50 1 d P . .
O2 O 1.0287(3) 0.5781(3) 0.0555(2) 0.0393(10) Uani 0.50 1 d PD . .
Cl2' Cl 1.0114(5) 0.6224(2) 0.0567(3) 0.0325(7) Uani 0.50 1 d P . .
O2' O 0.9206(4) 0.9168(3) 0.0020(3) 0.0407(11) Uani 0.50 1 d PD . .
C2 C 1.004(2) 0.6407(8) 0.0466(13) 0.046(5) Uani 0.50 1 d PD . .
C2' C 0.9441(14) 0.8567(7) 0.0161(12) 0.027(3) Uani 0.50 1 d PD . .


_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 C1 1.878(3) . ?
Os1 C2' 1.952(11) . ?
Os1 C2 1.967(12) . ?
Os1 Cl2' 2.327(4) . ?
Os1 Cl2 2.346(3) . ?
Os1 P2 2.4048(5) . ?
Os1 P1 2.4094(5) . ?
Os1 Cl1 2.4469(6) . ?
P1 C51 1.823(2) . ?
P1 C31 1.821(2) . ?
P1 C11 1.825(2) . ?
P2 C24 1.813(2) . ?
P2 C44 1.826(2) . ?
P2 C64 1.827(2) . ?
C11 C12 1.539(3) . ?
C12 C13 1.520(3) . ?
C13 C14 1.526(3) . ?
C14 C15 1.522(3) . ?
C15 C16 1.525(3) . ?
C16 C17 1.526(3) . ?
C17 C18 1.522(3) . ?
C18 C19 1.522(3) . ?
C19 C20 1.529(4) . ?
C20 C21 1.527(3) . ?
C21 C22 1.523(3) . ?
C22 C23 1.536(3) . ?
C23 C24 1.525(3) . ?
C31 C32 1.525(3) . ?
C32 C33 1.537(3) . ?
C33 C34 1.528(3) . ?
C34 C35 1.525(3) . ?
C35 C36 1.530(3) . ?
C36 C37 1.529(3) . ?
C37 C38 1.526(3) . ?
C38 C39 1.524(3) . ?
C39 C40 1.524(3) . ?
C40 C41 1.528(3) . ?
C41 C42 1.527(3) . ?
C42 C43 1.521(3) . ?
C43 C44 1.529(3) . ?
C51 C52 1.534(3) . ?
C52 C53 1.525(3) . ?
C53 C54 1.524(3) . ?
C54 C55 1.530(4) . ?
C55 C56 1.530(4) . ?
C56 C57 1.525(3) . ?
C57 C58 1.519(4) . ?
C58 C59 1.525(4) . ?
C59 C60 1.529(4) . ?
C60 C61 1.534(4) . ?
C61 C62 1.522(3) . ?
C62 C63 1.526(3) . ?
C63 C64 1.532(3) . ?
O1 C1 1.134(3) . ?
Cl2 O2' 0.743(5) . ?
O2 Cl2' 0.815(5) . ?
O2 C2 1.159(11) . ?
O2' C2' 1.129(10) . ?

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
C1 Os1 C2' 90.8(7) . . ?
C1 Os1 C2 90.8(8) . . ?
C2' Os1 C2 178.3(11) . . ?
C1 Os1 Cl2' 88.08(17) . . ?
C2' Os1 Cl2' 176.9(7) . . ?
C2 Os1 Cl2' 3.7(9) . . ?
C1 Os1 Cl2 88.15(15) . . ?
C2' Os1 Cl2 3.7(7) . . ?
C2 Os1 Cl2 177.6(8) . . ?
Cl2' Os1 Cl2 176.2(2) . . ?
C1 Os1 P2 93.51(7) . . ?
C2' Os1 P2 92.4(7) . . ?
C2 Os1 P2 87.9(8) . . ?
Cl2' Os1 P2 90.61(14) . . ?
Cl2 Os1 P2 90.03(13) . . ?
C1 Os1 P1 94.13(7) . . ?
C2' Os1 P1 86.8(6) . . ?
C2 Os1 P1 92.6(8) . . ?
Cl2' Os1 P1 90.31(14) . . ?
Cl2 Os1 P1 89.55(13) . . ?
P2 Os1 P1 172.325(19) . . ?
C1 Os1 Cl1 179.63(8) . . ?
C2' Os1 Cl1 89.4(7) . . ?
C2 Os1 Cl1 89.0(8) . . ?
Cl2' Os1 Cl1 91.73(16) . . ?
Cl2 Os1 Cl1 92.04(13) . . ?
P2 Os1 Cl1 86.170(19) . . ?
P1 Os1 Cl1 86.186(19) . . ?
C51 P1 C31 105.86(11) . . ?
C51 P1 C11 102.65(10) . . ?
C31 P1 C11 108.20(11) . . ?
C51 P1 Os1 113.88(7) . . ?
C31 P1 Os1 109.50(7) . . ?
C11 P1 Os1 116.07(8) . . ?
C24 P2 C44 108.09(11) . . ?
C24 P2 C64 105.12(11) . . ?
C44 P2 C64 102.02(10) . . ?
C24 P2 Os1 109.34(7) . . ?
C44 P2 Os1 115.89(8) . . ?
C64 P2 Os1 115.57(8) . . ?
C12 C11 P1 115.99(16) . . ?
C13 C12 C11 112.8(2) . . ?
C12 C13 C14 113.7(2) . . ?
C15 C14 C13 114.04(19) . . ?
C14 C15 C16 112.89(19) . . ?
C15 C16 C17 114.68(19) . . ?
C18 C17 C16 115.0(2) . . ?
C19 C18 C17 112.5(2) . . ?
C18 C19 C20 115.1(2) . . ?
C21 C20 C19 115.1(2) . . ?
C22 C21 C20 114.4(2) . . ?
C21 C22 C23 112.4(2) . . ?
C24 C23 C22 109.95(19) . . ?
C23 C24 P2 119.81(16) . . ?
C32 C31 P1 119.38(16) . . ?
C31 C32 C33 110.70(19) . . ?
C34 C33 C32 112.5(2) . . ?
C35 C34 C33 114.8(2) . . ?
C34 C35 C36 115.18(19) . . ?
C37 C36 C35 115.0(2) . . ?
C38 C37 C36 111.2(2) . . ?
C39 C38 C37 114.5(2) . . ?
C40 C39 C38 114.3(2) . . ?
C39 C40 C41 112.26(19) . . ?
C40 C41 C42 114.3(2) . . ?
C43 C42 C41 112.96(19) . . ?
C42 C43 C44 112.49(19) . . ?
C43 C44 P2 116.34(15) . . ?
C52 C51 P1 113.99(16) . . ?
C53 C52 C51 112.49(18) . . ?
C52 C53 C54 113.7(2) . . ?
C53 C54 C55 113.5(2) . . ?
C54 C55 C56 114.2(2) . . ?
C57 C56 C55 114.6(2) . . ?
C58 C57 C56 112.7(2) . . ?
C57 C58 C59 112.6(2) . . ?
C58 C59 C60 115.2(2) . . ?
C59 C60 C61 114.9(2) . . ?
C62 C61 C60 113.4(2) . . ?
C61 C62 C63 113.5(2) . . ?
C62 C63 C64 111.79(18) . . ?
C63 C64 P2 114.61(16) . . ?
O1 C1 Os1 179.6(2) . . ?
O2' Cl2 Os1 167.2(6) . . ?
Cl2' O2 C2 10.5(16) . . ?
O2 Cl2' Os1 165.4(5) . . ?
Cl2 O2' C2' 10.1(14) . . ?
O2 C2 Os1 176(2) . . ?
O2' C2' Os1 173(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Os1 P1 C51 -13.18(11) . . . . ?
C2' Os1 P1 C51 77.4(7) . . . . ?
C2 Os1 P1 C51 -104.2(8) . . . . ?
Cl2' Os1 P1 C51 -101.28(18) . . . . ?
Cl2 Os1 P1 C51 74.93(16) . . . . ?
P2 Os1 P1 C51 161.84(16) . . . . ?
Cl1 Os1 P1 C51 167.01(9) . . . . ?
C1 Os1 P1 C31 -131.46(11) . . . . ?
C2' Os1 P1 C31 -40.8(7) . . . . ?
C2 Os1 P1 C31 137.5(8) . . . . ?
Cl2' Os1 P1 C31 140.44(18) . . . . ?
Cl2 Os1 P1 C31 -43.35(16) . . . . ?
P2 Os1 P1 C31 43.55(19) . . . . ?
Cl1 Os1 P1 C31 48.73(9) . . . . ?
C1 Os1 P1 C11 105.71(11) . . . . ?
C2' Os1 P1 C11 -163.7(7) . . . . ?
C2 Os1 P1 C11 14.7(8) . . . . ?
Cl2' Os1 P1 C11 17.61(18) . . . . ?
Cl2 Os1 P1 C11 -166.17(16) . . . . ?
P2 Os1 P1 C11 -79.27(18) . . . . ?
Cl1 Os1 P1 C11 -74.10(9) . . . . ?
C1 Os1 P2 C24 -129.57(11) . . . . ?
C2' Os1 P2 C24 139.4(7) . . . . ?
C2 Os1 P2 C24 -38.9(8) . . . . ?
Cl2' Os1 P2 C24 -41.46(18) . . . . ?
Cl2 Os1 P2 C24 142.28(15) . . . . ?
P1 Os1 P2 C24 55.41(18) . . . . ?
Cl1 Os1 P2 C24 50.23(9) . . . . ?
C1 Os1 P2 C44 108.01(11) . . . . ?
C2' Os1 P2 C44 17.0(7) . . . . ?
C2 Os1 P2 C44 -161.3(8) . . . . ?
Cl2' Os1 P2 C44 -163.88(18) . . . . ?
Cl2 Os1 P2 C44 19.86(15) . . . . ?
P1 Os1 P2 C44 -67.01(18) . . . . ?
Cl1 Os1 P2 C44 -72.19(8) . . . . ?
C1 Os1 P2 C64 -11.26(11) . . . . ?
C2' Os1 P2 C64 -102.3(7) . . . . ?
C2 Os1 P2 C64 79.4(8) . . . . ?
Cl2' Os1 P2 C64 76.86(18) . . . . ?
Cl2 Os1 P2 C64 -99.41(16) . . . . ?
P1 Os1 P2 C64 173.72(16) . . . . ?
Cl1 Os1 P2 C64 168.55(9) . . . . ?
C51 P1 C11 C12 -173.30(17) . . . . ?
C31 P1 C11 C12 -61.7(2) . . . . ?
Os1 P1 C11 C12 61.83(19) . . . . ?
P1 C11 C12 C13 -159.31(17) . . . . ?
C11 C12 C13 C14 174.88(19) . . . . ?
C12 C13 C14 C15 -69.6(3) . . . . ?
C13 C14 C15 C16 179.6(2) . . . . ?
C14 C15 C16 C17 170.9(2) . . . . ?
C15 C16 C17 C18 65.6(3) . . . . ?
C16 C17 C18 C19 -179.7(2) . . . . ?
C17 C18 C19 C20 -172.8(2) . . . . ?
C18 C19 C20 C21 -58.3(3) . . . . ?
C19 C20 C21 C22 -66.6(3) . . . . ?
C20 C21 C22 C23 177.4(2) . . . . ?
C21 C22 C23 C24 -72.8(3) . . . . ?
C22 C23 C24 P2 170.90(18) . . . . ?
C44 P2 C24 C23 -48.2(2) . . . . ?
C64 P2 C24 C23 60.2(2) . . . . ?
Os1 P2 C24 C23 -175.20(17) . . . . ?
C51 P1 C31 C32 56.9(2) . . . . ?
C11 P1 C31 C32 -52.6(2) . . . . ?
Os1 P1 C31 C32 -179.95(17) . . . . ?
P1 C31 C32 C33 174.45(17) . . . . ?
C31 C32 C33 C34 -71.3(3) . . . . ?
C32 C33 C34 C35 174.62(19) . . . . ?
C33 C34 C35 C36 -64.1(3) . . . . ?
C34 C35 C36 C37 -58.9(3) . . . . ?
C35 C36 C37 C38 -171.6(2) . . . . ?
C36 C37 C38 C39 179.4(2) . . . . ?
C37 C38 C39 C40 66.2(3) . . . . ?
C38 C39 C40 C41 172.6(2) . . . . ?
C39 C40 C41 C42 -178.4(2) . . . . ?
C40 C41 C42 C43 -68.6(3) . . . . ?
C41 C42 C43 C44 173.9(2) . . . . ?
C42 C43 C44 P2 -163.58(17) . . . . ?
C24 P2 C44 C43 -62.6(2) . . . . ?
C64 P2 C44 C43 -173.10(18) . . . . ?
Os1 P2 C44 C43 60.47(19) . . . . ?
C31 P1 C51 C52 -167.31(16) . . . . ?
C11 P1 C51 C52 -53.96(18) . . . . ?
Os1 P1 C51 C52 72.34(17) . . . . ?
P1 C51 C52 C53 -154.95(16) . . . . ?
C51 C52 C53 C54 173.66(19) . . . . ?
C52 C53 C54 C55 -173.0(2) . . . . ?
C53 C54 C55 C56 64.0(3) . . . . ?
C54 C55 C56 C57 64.9(3) . . . . ?
C55 C56 C57 C58 -167.5(2) . . . . ?
C56 C57 C58 C59 -175.0(2) . . . . ?
C57 C58 C59 C60 -168.9(2) . . . . ?
C58 C59 C60 C61 66.6(3) . . . . ?
C59 C60 C61 C62 63.7(3) . . . . ?
C60 C61 C62 C63 -169.5(2) . . . . ?
C61 C62 C63 C64 173.8(2) . . . . ?
C62 C63 C64 P2 -154.67(17) . . . . ?
C24 P2 C64 C63 -168.44(17) . . . . ?
C44 P2 C64 C63 -55.71(19) . . . . ?
Os1 P2 C64 C63 70.93(18) . . . . ?
C2' Os1 C1 O1 11(48) . . . . ?
C2 Os1 C1 O1 -169(100) . . . . ?
Cl2' Os1 C1 O1 -172(100) . . . . ?
Cl2 Os1 C1 O1 9(48) . . . . ?
P2 Os1 C1 O1 -81(48) . . . . ?
P1 Os1 C1 O1 98(48) . . . . ?
Cl1 Os1 C1 O1 -113(52) . . . . ?
C1 Os1 Cl2 O2' 179(100) . . . . ?
C2' Os1 Cl2 O2' 42(13) . . . . ?
C2 Os1 Cl2 O2' -117(19) . . . . ?
Cl2' Os1 Cl2 O2' 173(3) . . . . ?
P2 Os1 Cl2 O2' -87(2) . . . . ?
P1 Os1 Cl2 O2' 85(2) . . . . ?
Cl1 Os1 Cl2 O2' -1(2) . . . . ?
C2 O2 Cl2' Os1 -15(8) . . . . ?
C1 Os1 Cl2' O2 162(2) . . . . ?
C2' Os1 Cl2' O2 -128(12) . . . . ?
C2 Os1 Cl2' O2 25(14) . . . . ?
Cl2 Os1 Cl2' O2 168(2) . . . . ?
P2 Os1 Cl2' O2 69(2) . . . . ?
P1 Os1 Cl2' O2 -104(2) . . . . ?
Cl1 Os1 Cl2' O2 -17(2) . . . . ?
Os1 Cl2 O2' C2' -25(8) . . . . ?
Cl2' O2 C2 Os1 90(28) . . . . ?
C1 Os1 C2 O2 -123(28) . . . . ?
C2' Os1 C2 O2 43(55) . . . . ?
Cl2' Os1 C2 O2 -80(28) . . . . ?
Cl2 Os1 C2 O2 174(11) . . . . ?
P2 Os1 C2 O2 144(28) . . . . ?
P1 Os1 C2 O2 -28(28) . . . . ?
Cl1 Os1 C2 O2 58(28) . . . . ?
Cl2 O2' C2' Os1 73(15) . . . . ?
C1 Os1 C2' O2' -99(16) . . . . ?
C2 Os1 C2' O2' 96(35) . . . . ?
Cl2' Os1 C2' O2' -168(7) . . . . ?
Cl2 Os1 C2' O2' -55(12) . . . . ?
P2 Os1 C2' O2' -5(16) . . . . ?
P1 Os1 C2' O2' 167(16) . . . . ?
Cl1 Os1 C2' O2' 81(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.544
_refine_diff_density_min         -1.125
_refine_diff_density_rms         0.092
####################################################################### 
# 
# 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_jgb
_database_code_depnum_ccdc_archive 'CCDC 1446695'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H96 Cl2 O2 Os P2'
_chemical_formula_weight         1052.31

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'
O O 0.0492 0.0322 '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'
Cl Cl 0.3639 0.7018 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.4907(12)
_cell_length_b                   16.8895(10)
_cell_length_c                   36.622(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.261(3)
_cell_angle_gamma                90.00
_cell_volume                     10815.9(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    7990
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      59.50

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4416
_exptl_absorpt_coefficient_mu    6.169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3077
_exptl_absorpt_correction_T_max  0.8866
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'BRUKER GADDS D8 Discover'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            83787
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_av_sigmaI/netI    0.0640
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         60.00
_reflns_number_total             15622
_reflns_number_gt                11572
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'FRAMBO (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  CELL-NOW (Sheldrick, 2003) and SAINT (BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0645P)²+70.4906P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15622
_refine_ls_number_parameters     1373
_refine_ls_number_restraints     1904
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0624
_refine_ls_wR_factor_ref         0.1642
_refine_ls_wR_factor_gt          0.1488
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          2.791
_refine_ls_shift/su_mean         0.020

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.54676(2) 0.76683(2) 0.869447(10) 0.03867(13) Uani 1 1 d D . .
Cl1 Cl 0.45748(13) 0.65848(12) 0.85574(7) 0.0573(6) Uani 1 1 d D . .
Cl2 Cl 0.44000(13) 0.85305(11) 0.88424(5) 0.0476(5) Uani 1 1 d D . .
P1 P 0.55199(12) 0.72589(12) 0.93246(5) 0.0412(5) Uani 1 1 d D . .
P2 P 0.53433(15) 0.80873(13) 0.80676(5) 0.0494(6) Uani 1 1 d D . .
C1 C 0.6293 0.6990 0.8599 0.043(2) Uani 1 1 d D . .
O1 O 0.6767 0.6553 0.8537 0.0635(18) Uani 1 1 d D . .
C2 C 0.6134 0.8545 0.8787 0.051(2) Uani 1 1 d D . .
O2 O 0.6476 0.9023 0.8832 0.0644(19) Uani 1 1 d D . .
C3 C 0.4648(3) 0.7423(5) 0.9589(2) 0.047(2) Uani 1 1 d D . .
H3A H 0.4762 0.7294 0.9848 0.056 Uiso 1 1 calc R . .
H3B H 0.4512 0.7991 0.9576 0.056 Uiso 1 1 calc R . .
C4 C 0.3956(3) 0.6936(5) 0.9460(2) 0.049(2) Uani 1 1 d D . .
H4A H 0.3879 0.7010 0.9194 0.059 Uiso 1 1 calc R . .
H4B H 0.4063 0.6368 0.9505 0.059 Uiso 1 1 calc R . .
C5 C 0.3229(3) 0.7161(5) 0.9652(2) 0.054(2) Uani 1 1 d D . .
H5A H 0.3138 0.7736 0.9619 0.065 Uiso 1 1 calc R . .
H5B H 0.3297 0.7059 0.9917 0.065 Uiso 1 1 calc R . .
C6 C 0.2533(3) 0.6707(5) 0.9509(3) 0.060(3) Uani 1 1 d D . .
H6A H 0.2499 0.6765 0.9241 0.072 Uiso 1 1 calc R . .
H6B H 0.2606 0.6138 0.9565 0.072 Uiso 1 1 calc R . .
C7 C 0.1786(3) 0.6978(6) 0.9670(3) 0.073(3) Uani 1 1 d D . .
H7A H 0.1823 0.6924 0.9939 0.088 Uiso 1 1 calc R . .
H7B H 0.1713 0.7547 0.9614 0.088 Uiso 1 1 calc R . .
C8 C 0.1096(4) 0.6527(6) 0.9531(2) 0.091(4) Uani 1 1 d D . .
H8A H 0.0633 0.6780 0.9629 0.109 Uiso 1 1 calc R . .
H8B H 0.1122 0.5982 0.9631 0.109 Uiso 1 1 calc R . .
C9 C 0.1010(6) 0.6478(5) 0.9122(2) 0.085(4) Uani 1 1 d D . .
H9A H 0.1470 0.6217 0.9026 0.102 Uiso 1 1 calc R . .
H9B H 0.0566 0.6135 0.9062 0.102 Uiso 1 1 calc R . .
C10 C 0.0902(6) 0.7255(5) 0.8928(2) 0.082(4) Uani 1 1 d D . .
H10A H 0.1313 0.7623 0.9008 0.098 Uiso 1 1 calc R . .
H10B H 0.0407 0.7489 0.8999 0.098 Uiso 1 1 calc R . .
C11 C 0.0912(7) 0.7172(5) 0.8513(2) 0.081(3) Uani 1 1 d D . .
H11A H 0.1404 0.6932 0.8443 0.097 Uiso 1 1 calc R . .
H11B H 0.0497 0.6809 0.8434 0.097 Uiso 1 1 calc R . .
C12 C 0.0813(6) 0.7956(5) 0.8317(2) 0.080(3) Uani 1 1 d D . .
H12A H 0.0309 0.8182 0.8379 0.096 Uiso 1 1 calc R . .
H12B H 0.1212 0.8327 0.8408 0.096 Uiso 1 1 calc R . .
C13 C 0.0859(4) 0.7901(6) 0.7909(2) 0.087(4) Uani 1 1 d D . .
H13A H 0.0429 0.7570 0.7817 0.105 Uiso 1 1 calc R . .
H13B H 0.0790 0.8438 0.7805 0.105 Uiso 1 1 calc R . .
C14 C 0.1595(4) 0.7560(6) 0.7769(3) 0.085(4) Uani 1 1 d D . .
H14A H 0.1578 0.7576 0.7499 0.103 Uiso 1 1 calc R . .
H14B H 0.1632 0.6998 0.7844 0.103 Uiso 1 1 calc R . .
C15 C 0.2305(4) 0.7992(6) 0.7904(3) 0.075(3) Uani 1 1 d D . .
H15A H 0.2313 0.7990 0.8175 0.090 Uiso 1 1 calc R . .
H15B H 0.2273 0.8550 0.7823 0.090 Uiso 1 1 calc R . .
C16 C 0.3048(4) 0.7642(6) 0.7774(3) 0.075(3) Uani 1 1 d D . .
H16A H 0.3059 0.7673 0.7504 0.090 Uiso 1 1 calc R . .
H16B H 0.3073 0.7076 0.7844 0.090 Uiso 1 1 calc R . .
C17 C 0.3745(4) 0.8070(5) 0.7936(3) 0.066(3) Uani 1 1 d D . .
H17A H 0.3731 0.8041 0.8205 0.079 Uiso 1 1 calc R . .
H17B H 0.3719 0.8636 0.7865 0.079 Uiso 1 1 calc R . .
C18 C 0.4500(4) 0.7725(6) 0.7809(2) 0.064(3) Uani 1 1 d D . .
H18A H 0.4561 0.7856 0.7548 0.076 Uiso 1 1 calc R . .
H18B H 0.4478 0.7142 0.7830 0.076 Uiso 1 1 calc R . .
C19 C 0.6234(4) 0.7790(5) 0.9600(2) 0.050(2) Uani 1 1 d DU . .
H19A H 0.6123 0.8363 0.9582 0.060 Uiso 1 1 calc R . .
H19B H 0.6171 0.7635 0.9859 0.060 Uiso 1 1 calc R . .
C20 C 0.7068(4) 0.7661(5) 0.9504(2) 0.058(3) Uani 1 1 d DU . .
H20A H 0.7216 0.7111 0.9567 0.069 Uiso 1 1 calc R . .
H20B H 0.7122 0.7726 0.9237 0.069 Uiso 1 1 calc R . .
C21 C 0.7607(4) 0.8226(7) 0.9699(2) 0.084(4) Uani 1 1 d DU . .
H21A H 0.7569 0.8142 0.9965 0.100 Uiso 1 1 calc R . .
H21B H 0.7440 0.8775 0.9646 0.100 Uiso 1 1 calc R . .
C22 C 0.8440(4) 0.8142(7) 0.9595(2) 0.104(5) Uani 1 1 d DU . .
H22A H 0.8753 0.8501 0.9751 0.124 Uiso 1 1 calc R . .
H22B H 0.8607 0.7593 0.9648 0.124 Uiso 1 1 calc R . .
C23 C 0.8596(6) 0.8323(6) 0.9199(2) 0.096(4) Uani 1 1 d DU . .
H23A H 0.9144 0.8223 0.9155 0.115 Uiso 1 1 calc R . .
H23B H 0.8297 0.7949 0.9044 0.115 Uiso 1 1 calc R . .
C24 C 0.8409(6) 0.9151(6) 0.9076(2) 0.086(4) Uani 1 1 d DU . .
H24A H 0.8730 0.9523 0.9222 0.103 Uiso 1 1 calc R . .
H24B H 0.7869 0.9261 0.9133 0.103 Uiso 1 1 calc R . .
C25 C 0.8522(7) 0.9322(6) 0.8677(2) 0.094(4) Uani 1 1 d DU . .
H25A H 0.9074 0.9276 0.8627 0.113 Uiso 1 1 calc R . .
H25B H 0.8253 0.8908 0.8532 0.113 Uiso 1 1 calc R . .
C26 C 0.8250(8) 1.0114(6) 0.8545(2) 0.098(4) Uani 1 1 d DU . .
H26A H 0.8575 1.0528 0.8660 0.117 Uiso 1 1 calc R . .
H26B H 0.7721 1.0196 0.8628 0.117 Uiso 1 1 calc R . .
C27 C 0.8262(7) 1.0222(6) 0.8132(2) 0.121(6) Uani 1 1 d DU . .
H27A H 0.7938 0.9809 0.8015 0.145 Uiso 1 1 calc R . .
H27B H 0.8791 1.0148 0.8048 0.145 Uiso 1 1 calc R . .
C28 C 0.7977(7) 1.1030(6) 0.8012(3) 0.150(8) Uani 1 1 d DU . .
H28A H 0.8268 1.1438 0.8151 0.180 Uiso 1 1 calc R . .
H28B H 0.8092 1.1100 0.7751 0.180 Uiso 1 1 calc R . .
C29 C 0.7141(7) 1.1178(6) 0.8062(3) 0.135(7) Uani 1 1 d DU . .
H29A H 0.7019 1.1057 0.8318 0.162 Uiso 1 1 calc R . .
H29B H 0.7042 1.1749 0.8022 0.162 Uiso 1 1 calc R . .
C30 C 0.6596(6) 1.0718(6) 0.7818(3) 0.113(6) Uani 1 1 d DU . .
H30A H 0.6701 1.0146 0.7851 0.136 Uiso 1 1 calc R . .
H30B H 0.6703 1.0851 0.7561 0.136 Uiso 1 1 calc R . .
C31 C 0.5756(6) 1.0864(5) 0.7883(3) 0.120(6) Uani 1 1 d DU . .
H31A H 0.5652 1.1437 0.7853 0.144 Uiso 1 1 calc R . .
H31B H 0.5647 1.0723 0.8139 0.144 Uiso 1 1 calc R . .
C32 C 0.5215(6) 1.0409(4) 0.7633(3) 0.097(5) Uani 1 1 d DU . .
H32A H 0.5285 1.0595 0.7380 0.116 Uiso 1 1 calc R . .
H32B H 0.4684 1.0537 0.7701 0.116 Uiso 1 1 calc R . .
C33 C 0.5314(7) 0.9515(4) 0.76423(19) 0.069(3) Uani 1 1 d DU . .
H33A H 0.5803 0.9377 0.7527 0.083 Uiso 1 1 calc R . .
H33B H 0.4896 0.9268 0.7496 0.083 Uiso 1 1 calc R . .
C34 C 0.5313(7) 0.9167(5) 0.8027(2) 0.061(3) Uani 1 1 d DU . .
H34A H 0.4848 0.9357 0.8149 0.073 Uiso 1 1 calc R . .
H34B H 0.5759 0.9385 0.8164 0.073 Uiso 1 1 calc R . .
C35 C 0.5748(5) 0.6215(4) 0.9372(2) 0.046(2) Uani 1 1 d DU . .
H35A H 0.5342 0.5911 0.9242 0.055 Uiso 1 1 calc R . .
H35B H 0.6231 0.6118 0.9243 0.055 Uiso 1 1 calc R . .
C36 C 0.5838(5) 0.5870(4) 0.9756(2) 0.066(3) Uani 1 1 d DU . .
H36A H 0.6284 0.6120 0.9880 0.079 Uiso 1 1 calc R . .
H36B H 0.5378 0.6003 0.9896 0.079 Uiso 1 1 calc R . .
C37 C 0.5945(5) 0.4982(5) 0.9759(3) 0.081(4) Uani 1 1 d DU . .
H37A H 0.5476 0.4732 0.9656 0.097 Uiso 1 1 calc R . .
H37B H 0.6003 0.4805 1.0016 0.097 Uiso 1 1 calc R . .
C38 C 0.6626(5) 0.4685(5) 0.9548(3) 0.093(4) Uani 1 1 d DU . .
H38A H 0.6632 0.4100 0.9557 0.112 Uiso 1 1 calc R . .
H38B H 0.6559 0.4844 0.9289 0.112 Uiso 1 1 calc R . .
C39 C 0.7392(5) 0.4989(8) 0.9688(3) 0.099(4) Uani 1 1 d DU . .
H39A H 0.7372 0.5574 0.9693 0.119 Uiso 1 1 calc R . .
H39B H 0.7468 0.4805 0.9943 0.119 Uiso 1 1 calc R . .
C40 C 0.8075(7) 0.4743(8) 0.9474(4) 0.149(7) Uani 1 1 d DU . .
H40A H 0.7892 0.4447 0.9256 0.179 Uiso 1 1 calc R . .
H40B H 0.8386 0.4374 0.9626 0.179 Uiso 1 1 calc R . .
C41 C 0.8583(10) 0.5404(10) 0.9350(4) 0.260(11) Uani 1 1 d DU . .
H41A H 0.8279 0.5899 0.9348 0.312 Uiso 1 1 calc R . .
H41B H 0.8999 0.5470 0.9536 0.312 Uiso 1 1 calc R . .
C42 C 0.8938(9) 0.5318(10) 0.8985(4) 0.205(10) Uani 1 1 d DU . .
H42A H 0.8691 0.4871 0.8854 0.245 Uiso 1 1 calc R . .
H42B H 0.9486 0.5186 0.9022 0.245 Uiso 1 1 calc R . .
C43 C 0.8872(12) 0.6061(10) 0.8750(4) 0.235(11) Uani 1 1 d DU . .
H43A H 0.8547 0.6454 0.8873 0.282 Uiso 1 1 calc R . .
H43B H 0.9385 0.6296 0.8721 0.282 Uiso 1 1 calc R . .
C44 C 0.8528(12) 0.5876(11) 0.8377(4) 0.279(12) Uani 1 1 d DU . .
H44A H 0.8704 0.5345 0.8301 0.335 Uiso 1 1 calc R . .
H44B H 0.7965 0.5854 0.8396 0.335 Uiso 1 1 calc R . .
C45 C 0.8722(12) 0.6456(10) 0.8085(4) 0.229(11) Uani 1 1 d DU . .
H45A H 0.9280 0.6432 0.8047 0.275 Uiso 1 1 calc R . .
H45B H 0.8466 0.6283 0.7854 0.275 Uiso 1 1 calc R . .
C46 C 0.8507(9) 0.7304(10) 0.8153(3) 0.146(7) Uani 1 1 d DU . .
H46A H 0.8927 0.7564 0.8293 0.175 Uiso 1 1 calc R . .
H46B H 0.8045 0.7317 0.8304 0.175 Uiso 1 1 calc R . .
C47 C 0.8350(6) 0.7773(9) 0.7806(4) 0.174(8) Uani 1 1 d DU . .
H47A H 0.8710 0.7598 0.7618 0.209 Uiso 1 1 calc R . .
H47B H 0.8451 0.8339 0.7856 0.209 Uiso 1 1 calc R . .
C48 C 0.7545(6) 0.7689(9) 0.7655(3) 0.127(6) Uani 1 1 d DU . .
H48A H 0.7426 0.7118 0.7630 0.152 Uiso 1 1 calc R . .
H48B H 0.7522 0.7923 0.7407 0.152 Uiso 1 1 calc R . .
C49 C 0.6931(5) 0.8075(7) 0.7884(3) 0.085(4) Uani 1 1 d DU . .
H49A H 0.6949 0.8655 0.7849 0.102 Uiso 1 1 calc R . .
H49B H 0.7041 0.7964 0.8146 0.102 Uiso 1 1 calc R . .
C50 C 0.6131(5) 0.7774(6) 0.7784(3) 0.067(3) Uani 1 1 d DU . .
H50A H 0.6146 0.7189 0.7785 0.081 Uiso 1 1 calc R . .
H50B H 0.6011 0.7941 0.7530 0.081 Uiso 1 1 calc R . .
Os2 Os 0.36877(7) 0.24851(8) 0.88237(3) 0.0339(2) Uani 0.5263(12) 1 d PD A -1
Cl51 Cl 0.2380(2) 0.2310(2) 0.85832(11) 0.0567(6) Uani 0.5263(12) 1 d PD A -1
Cl52 Cl 0.3197(3) 0.2584(2) 0.94432(9) 0.0567(6) Uani 0.5263(12) 1 d PD A -1
P51 P 0.3513(3) 0.38865(19) 0.87433(16) 0.0452(12) Uani 0.5263(12) 1 d PDU A -1
P52 P 0.3720(2) 0.10693(18) 0.89011(15) 0.0314(11) Uani 0.5263(12) 1 d PD A -1
C51 C 0.4073(6) 0.2409(5) 0.83498(15) 0.073(4) Uani 0.5263(12) 1 d PDU A -1
O51 O 0.4334(9) 0.2320(7) 0.8081(2) 0.076(3) Uani 0.5263(12) 1 d PDU A -1
C52 C 0.4685(3) 0.2594(5) 0.9032(3) 0.073(4) Uani 0.5263(12) 1 d PDU A -1
O52 O 0.5208(5) 0.2747(7) 0.9151(4) 0.076(3) Uani 0.5263(12) 1 d PDU A -1
C53 C 0.3093(18) 0.4128(13) 0.8351(7) 0.058(3) Uani 0.5263(12) 1 d PDU A -1
H53A H 0.3430 0.3944 0.8155 0.070 Uiso 0.5263(12) 1 calc PR A -1
H53B H 0.2616 0.3814 0.8330 0.070 Uiso 0.5263(12) 1 calc PR A -1
C54 C 0.2883(10) 0.4991(11) 0.8267(7) 0.058(3) Uani 0.5263(12) 1 d PDU A -1
H54A H 0.2758 0.5263 0.8498 0.070 Uiso 0.5263(12) 1 calc PR A -1
H54B H 0.3333 0.5261 0.8164 0.070 Uiso 0.5263(12) 1 calc PR A -1
C55 C 0.2214(9) 0.5070(14) 0.8002(5) 0.058(3) Uani 0.5263(12) 1 d PDU A -1
H55A H 0.2291 0.4702 0.7796 0.070 Uiso 0.5263(12) 1 calc PR A -1
H55B H 0.2208 0.5615 0.7903 0.070 Uiso 0.5263(12) 1 calc PR A -1
C56 C 0.1441(9) 0.4898(9) 0.8167(4) 0.058(3) Uani 0.5263(12) 1 d PDU A -1
H56A H 0.1494 0.4442 0.8335 0.070 Uiso 0.5263(12) 1 calc PR A -1
H56B H 0.1283 0.5362 0.8312 0.070 Uiso 0.5263(12) 1 calc PR A -1
C57 C 0.0821(11) 0.4716(13) 0.7883(6) 0.138(11) Uani 0.5263(12) 1 d PDU A -1
H57A H 0.0570 0.5218 0.7810 0.165 Uiso 0.5263(12) 1 calc PR A -1
H57B H 0.1063 0.4493 0.7664 0.165 Uiso 0.5263(12) 1 calc PR A -1
C58 C 0.0218(9) 0.4149(10) 0.8007(7) 0.121(9) Uani 0.5263(12) 1 d PDU A -1
H58A H -0.0206 0.4152 0.7823 0.145 Uiso 0.5263(12) 1 calc PR A -1
H58B H 0.0012 0.4349 0.8239 0.145 Uiso 0.5263(12) 1 calc PR A -1
C59 C 0.0471(11) 0.3307(11) 0.8065(8) 0.100(9) Uani 0.5263(12) 1 d PDU A -1
H59A H 0.0681 0.3111 0.7833 0.120 Uiso 0.5263(12) 1 calc PR A -1
H59B H 0.0894 0.3306 0.8249 0.120 Uiso 0.5263(12) 1 calc PR A -1
C60 C -0.0124(13) 0.2732(10) 0.8186(9) 0.158(12) Uani 0.5263(12) 1 d PDU A -1
H60A H -0.0550 0.2725 0.8003 0.190 Uiso 0.5263(12) 1 calc PR A -1
H60B H -0.0332 0.2916 0.8420 0.190 Uiso 0.5263(12) 1 calc PR A -1
C61 C 0.0181(18) 0.1891(10) 0.8235(6) 0.155(13) Uani 0.5263(12) 1 d PDU A -1
H61A H 0.0690 0.1913 0.8358 0.186 Uiso 0.5263(12) 1 calc PR A -1
H61B H -0.0166 0.1592 0.8394 0.186 Uiso 0.5263(12) 1 calc PR A -1
C62 C 0.0250(16) 0.1457(14) 0.7876(6) 0.155(12) Uani 0.5263(12) 1 d PDU A -1
H62A H -0.0204 0.1585 0.7721 0.186 Uiso 0.5263(12) 1 calc PR A -1
H62B H 0.0704 0.1664 0.7750 0.186 Uiso 0.5263(12) 1 calc PR A -1
C63 C 0.0319(9) 0.0578(13) 0.7900(8) 0.182(14) Uani 0.5263(12) 1 d PDU A -1
H63A H -0.0169 0.0370 0.7992 0.218 Uiso 0.5263(12) 1 calc PR A -1
H63B H 0.0373 0.0373 0.7648 0.218 Uiso 0.5263(12) 1 calc PR A -1
C64 C 0.0954(8) 0.0236(15) 0.8130(6) 0.137(13) Uani 0.5263(12) 1 d PDU A -1
H64A H 0.0839 -0.0330 0.8173 0.164 Uiso 0.5263(12) 1 calc PR A -1
H64B H 0.0955 0.0505 0.8371 0.164 Uiso 0.5263(12) 1 calc PR A -1
C65 C 0.1751(7) 0.0294(10) 0.7979(4) 0.058(6) Uani 0.5263(12) 1 d PDU A -1
H65A H 0.1793 0.0791 0.7837 0.070 Uiso 0.5263(12) 1 calc PR A -1
H65B H 0.1834 -0.0154 0.7810 0.070 Uiso 0.5263(12) 1 calc PR A -1
C66 C 0.2368(8) 0.0284(13) 0.8275(4) 0.069(6) Uani 0.5263(12) 1 d PDU A -1
H66A H 0.2447 -0.0271 0.8354 0.083 Uiso 0.5263(12) 1 calc PR A -1
H66B H 0.2180 0.0583 0.8487 0.083 Uiso 0.5263(12) 1 calc PR A -1
C67 C 0.3138(7) 0.0626(10) 0.8171(4) 0.049(4) Uani 0.5263(12) 1 d PDU A -1
H67A H 0.3072 0.1192 0.8107 0.059 Uiso 0.5263(12) 1 calc PR A -1
H67B H 0.3321 0.0347 0.7952 0.059 Uiso 0.5263(12) 1 calc PR A -1
C68 C 0.3742(7) 0.0552(14) 0.8478(5) 0.036(5) Uani 0.5263(12) 1 d PDU A -1
H68A H 0.4237 0.0686 0.8367 0.043 Uiso 0.5263(12) 1 calc PR A -1
H68B H 0.3768 -0.0018 0.8540 0.043 Uiso 0.5263(12) 1 calc PR A -1
C69 C 0.2932(8) 0.4359(9) 0.9100(5) 0.057(5) Uani 0.5263(12) 1 d PDU A -1
H69A H 0.3162 0.4230 0.9342 0.068 Uiso 0.5263(12) 1 calc PR A -1
H69B H 0.2958 0.4941 0.9069 0.068 Uiso 0.5263(12) 1 calc PR A -1
C70 C 0.2094(8) 0.4110(10) 0.9096(4) 0.050(6) Uani 0.5263(12) 1 d PDU A -1
H70A H 0.1843 0.4304 0.8868 0.060 Uiso 0.5263(12) 1 calc PR A -1
H70B H 0.2065 0.3525 0.9095 0.060 Uiso 0.5263(12) 1 calc PR A -1
C71 C 0.1660(9) 0.4420(9) 0.9419(5) 0.084(8) Uani 0.5263(12) 1 d PDU A -1
H71A H 0.1688 0.5005 0.9419 0.101 Uiso 0.5263(12) 1 calc PR A -1
H71B H 0.1914 0.4229 0.9646 0.101 Uiso 0.5263(12) 1 calc PR A -1
C72 C 0.0824(8) 0.4172(7) 0.9420(5) 0.059(6) Uani 0.5263(12) 1 d PDU A -1
H72A H 0.0566 0.4459 0.9618 0.071 Uiso 0.5263(12) 1 calc PR A -1
H72B H 0.0577 0.4334 0.9186 0.071 Uiso 0.5263(12) 1 calc PR A -1
C73 C 0.0705(7) 0.3292(8) 0.9472(7) 0.083(6) Uani 0.5263(12) 1 d PDU A -1
H73A H 0.0935 0.3010 0.9265 0.100 Uiso 0.5263(12) 1 calc PR A -1
H73B H 0.0985 0.3126 0.9697 0.100 Uiso 0.5263(12) 1 calc PR A -1
C74 C -0.0113(8) 0.3032(7) 0.9500(6) 0.082(7) Uani 0.5263(12) 1 d PDU A -1
H74A H -0.0369 0.3111 0.9259 0.099 Uiso 0.5263(12) 1 calc PR A -1
H74B H -0.0368 0.3382 0.9676 0.099 Uiso 0.5263(12) 1 calc PR A -1
C75 C -0.0237(10) 0.2189(8) 0.9615(5) 0.087(7) Uani 0.5263(12) 1 d PDU A -1
H75A H 0.0007 0.2115 0.9859 0.104 Uiso 0.5263(12) 1 calc PR A -1
H75B H -0.0793 0.2105 0.9642 0.104 Uiso 0.5263(12) 1 calc PR A -1
C76 C 0.0058(18) 0.1557(8) 0.9367(5) 0.105(10) Uani 0.5263(12) 1 d PDU A -1
H76A H 0.0580 0.1702 0.9292 0.126 Uiso 0.5263(12) 1 calc PR A -1
H76B H -0.0272 0.1533 0.9144 0.126 Uiso 0.5263(12) 1 calc PR A -1
C77 C 0.0082(15) 0.0742(8) 0.9545(6) 0.133(10) Uani 0.5263(12) 1 d PDU A -1
H77A H 0.0415 0.0767 0.9767 0.160 Uiso 0.5263(12) 1 calc PR A -1
H77B H -0.0439 0.0601 0.9623 0.160 Uiso 0.5263(12) 1 calc PR A -1
C78 C 0.0372(17) 0.0098(10) 0.9298(6) 0.152(13) Uani 0.5263(12) 1 d PDU A -1
H78A H -0.0026 -0.0017 0.9110 0.183 Uiso 0.5263(12) 1 calc PR A -1
H78B H 0.0828 0.0298 0.9172 0.183 Uiso 0.5263(12) 1 calc PR A -1
C79 C 0.0582(9) -0.0660(8) 0.9488(7) 0.133(10) Uani 0.5263(12) 1 d PDU A -1
H79A H 0.0108 -0.0900 0.9582 0.159 Uiso 0.5263(12) 1 calc PR A -1
H79B H 0.0789 -0.1029 0.9305 0.159 Uiso 0.5263(12) 1 calc PR A -1
C80 C 0.1152(10) -0.0597(14) 0.9801(5) 0.123(9) Uani 0.5263(12) 1 d PDU A -1
H80A H 0.1237 -0.1132 0.9905 0.148 Uiso 0.5263(12) 1 calc PR A -1
H80B H 0.0930 -0.0264 0.9994 0.148 Uiso 0.5263(12) 1 calc PR A -1
C81 C 0.1918(9) -0.0251(13) 0.9699(5) 0.105(8) Uani 0.5263(12) 1 d PDU A -1
H81A H 0.2293 -0.0356 0.9900 0.126 Uiso 0.5263(12) 1 calc PR A -1
H81B H 0.1865 0.0330 0.9675 0.126 Uiso 0.5263(12) 1 calc PR A -1
C82 C 0.2224(10) -0.0581(9) 0.9348(5) 0.067(6) Uani 0.5263(12) 1 d PDU A -1
H82A H 0.1836 -0.0497 0.9151 0.081 Uiso 0.5263(12) 1 calc PR A -1
H82B H 0.2294 -0.1159 0.9378 0.081 Uiso 0.5263(12) 1 calc PR A -1
C83 C 0.2977(8) -0.0224(7) 0.9229(5) 0.048(5) Uani 0.5263(12) 1 d PDU A -1
H83A H 0.3142 -0.0496 0.9005 0.057 Uiso 0.5263(12) 1 calc PR A -1
H83B H 0.3372 -0.0319 0.9422 0.057 Uiso 0.5263(12) 1 calc PR A -1
C84 C 0.2924(9) 0.0664(6) 0.9154(4) 0.039(4) Uani 0.5263(12) 1 d PDU A -1
H84A H 0.2895 0.0946 0.9391 0.046 Uiso 0.5263(12) 1 calc PR A -1
H84B H 0.2443 0.0772 0.9015 0.046 Uiso 0.5263(12) 1 calc PR A -1
C85 C 0.4559(10) 0.0680(10) 0.9136(3) 0.038(4) Uani 0.5263(12) 1 d PDU A -1
H85A H 0.4549 0.0096 0.9115 0.046 Uiso 0.5263(12) 1 calc PR A -1
H85B H 0.5017 0.0869 0.9007 0.046 Uiso 0.5263(12) 1 calc PR A -1
C86 C 0.4652(8) 0.0895(8) 0.9539(3) 0.045(4) Uani 0.5263(12) 1 d PDU A -1
H86A H 0.4836 0.1448 0.9559 0.054 Uiso 0.5263(12) 1 calc PR A -1
H86B H 0.4145 0.0869 0.9654 0.054 Uiso 0.5263(12) 1 calc PR A -1
C87 C 0.5199(6) 0.0362(8) 0.9747(3) 0.053(5) Uani 0.5263(12) 1 d PDU A -1
H87A H 0.4965 -0.0170 0.9766 0.064 Uiso 0.5263(12) 1 calc PR A -1
H87B H 0.5269 0.0571 0.9998 0.064 Uiso 0.5263(12) 1 calc PR A -1
C88 C 0.5981(7) 0.0274(8) 0.9578(6) 0.070(7) Uani 0.5263(12) 1 d PDU A -1
H88A H 0.6271 -0.0138 0.9714 0.084 Uiso 0.5263(12) 1 calc PR A -1
H88B H 0.5911 0.0087 0.9323 0.084 Uiso 0.5263(12) 1 calc PR A -1
C89 C 0.6453(8) 0.1026(9) 0.9576(6) 0.063(5) Uani 0.5263(12) 1 d PDU A -1
H89A H 0.6145 0.1452 0.9459 0.076 Uiso 0.5263(12) 1 calc PR A -1
H89B H 0.6563 0.1187 0.9832 0.076 Uiso 0.5263(12) 1 calc PR A -1
C90 C 0.7198(9) 0.0960(9) 0.9381(6) 0.083(7) Uani 0.5263(12) 1 d PDU A -1
H90A H 0.7096 0.0695 0.9144 0.100 Uiso 0.5263(12) 1 calc PR A -1
H90B H 0.7541 0.0610 0.9526 0.100 Uiso 0.5263(12) 1 calc PR A -1
C91 C 0.7617(9) 0.1718(11) 0.9309(5) 0.105(9) Uani 0.5263(12) 1 d PDU A -1
H91A H 0.7673 0.2007 0.9543 0.126 Uiso 0.5263(12) 1 calc PR A -1
H91B H 0.8138 0.1580 0.9229 0.126 Uiso 0.5263(12) 1 calc PR A -1
C92 C 0.7270(10) 0.2271(13) 0.9032(7) 0.114(9) Uani 0.5263(12) 1 d PDU A -1
H92A H 0.6915 0.2632 0.9157 0.137 Uiso 0.5263(12) 1 calc PR A -1
H92B H 0.6968 0.1959 0.8852 0.137 Uiso 0.5263(12) 1 calc PR A -1
C93 C 0.7857(12) 0.2764(16) 0.8831(7) 0.139(12) Uani 0.5263(12) 1 d PDU A -1
H93A H 0.8258 0.2944 0.9007 0.167 Uiso 0.5263(12) 1 calc PR A -1
H93B H 0.8106 0.2426 0.8647 0.167 Uiso 0.5263(12) 1 calc PR A -1
C94 C 0.7508(17) 0.3478(12) 0.8642(7) 0.172(13) Uani 0.5263(12) 1 d PDU A -1
H94A H 0.7422 0.3893 0.8827 0.207 Uiso 0.5263(12) 1 calc PR A -1
H94B H 0.7882 0.3688 0.8468 0.207 Uiso 0.5263(12) 1 calc PR A -1
C95 C 0.6770(13) 0.3332(12) 0.8439(8) 0.168(12) Uani 0.5263(12) 1 d PDU A -1
H95A H 0.6795 0.2799 0.8327 0.201 Uiso 0.5263(12) 1 calc PR A -1
H95B H 0.6355 0.3320 0.8619 0.201 Uiso 0.5263(12) 1 calc PR A -1
C96 C 0.6549(15) 0.3914(13) 0.8145(5) 0.151(11) Uani 0.5263(12) 1 d PDU A -1
H96A H 0.6150 0.3669 0.7986 0.181 Uiso 0.5263(12) 1 calc PR A -1
H96B H 0.7001 0.4011 0.7993 0.181 Uiso 0.5263(12) 1 calc PR A -1
C97 C 0.6254(12) 0.4703(10) 0.8276(7) 0.129(11) Uani 0.5263(12) 1 d PDU A -1
H97A H 0.6006 0.4981 0.8067 0.155 Uiso 0.5263(12) 1 calc PR A -1
H97B H 0.6695 0.5029 0.8360 0.155 Uiso 0.5263(12) 1 calc PR A -1
C98 C 0.5691(10) 0.4652(13) 0.8581(5) 0.108(9) Uani 0.5263(12) 1 d PDU A -1
H98A H 0.5642 0.5183 0.8693 0.129 Uiso 0.5263(12) 1 calc PR A -1
H98B H 0.5900 0.4290 0.8771 0.129 Uiso 0.5263(12) 1 calc PR A -1
C99 C 0.4897(11) 0.4364(13) 0.8465(5) 0.100(9) Uani 0.5263(12) 1 d PDU A -1
H99A H 0.4929 0.3803 0.8388 0.120 Uiso 0.5263(12) 1 calc PR A -1
H99B H 0.4713 0.4677 0.8252 0.120 Uiso 0.5263(12) 1 calc PR A -1
C100 C 0.4322(12) 0.4435(13) 0.8770(7) 0.094(9) Uani 0.5263(12) 1 d PDU A -1
H10E H 0.4169 0.4998 0.8787 0.113 Uiso 0.5263(12) 1 calc PR A -1
H10F H 0.4591 0.4299 0.9003 0.113 Uiso 0.5263(12) 1 calc PR A -1
Os2A Os 0.40343(7) 0.25345(9) 0.88273(4) 0.0339(2) Uani 0.4737(12) 1 d PD A -2
Cl53 Cl 0.26483(19) 0.2483(2) 0.89067(13) 0.0567(6) Uani 0.4737(12) 1 d PD A -2
Cl54 Cl 0.4269(3) 0.2747(3) 0.94827(10) 0.0567(6) Uani 0.4737(12) 1 d PD A -2
P51A P 0.3877(3) 0.3936(2) 0.87397(18) 0.0452(12) Uani 0.4737(12) 1 d PD A -2
P52A P 0.4051(3) 0.11316(19) 0.89413(17) 0.0314(11) Uani 0.4737(12) 1 d PD A -2
C1A C 0.3899(6) 0.2375(5) 0.83214(12) 0.066(5) Uani 0.4737(12) 1 d PDU A -2
O1A O 0.3771(10) 0.2240(8) 0.80324(18) 0.076(4) Uani 0.4737(12) 1 d PDU A -2
C2A C 0.5114(3) 0.2557(5) 0.8775(3) 0.066(5) Uani 0.4737(12) 1 d PDU A -2
O2A O 0.5678(4) 0.2530(8) 0.8705(5) 0.076(4) Uani 0.4737(12) 1 d PDU A -2
C3A C 0.313(3) 0.414(3) 0.8326(16) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H3AA H 0.3358 0.3951 0.8096 0.159 Uiso 0.4737(12) 1 calc PR A -2
H3AB H 0.2664 0.3821 0.8366 0.159 Uiso 0.4737(12) 1 calc PR A -2
C4A C 0.2894(18) 0.502(2) 0.8276(15) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H4AA H 0.2756 0.5242 0.8517 0.159 Uiso 0.4737(12) 1 calc PR A -2
H4AB H 0.3337 0.5325 0.8187 0.159 Uiso 0.4737(12) 1 calc PR A -2
C5A C 0.2227(15) 0.513(3) 0.8012(12) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H5AA H 0.2389 0.4965 0.7765 0.159 Uiso 0.4737(12) 1 calc PR A -2
H5AB H 0.2091 0.5694 0.8001 0.159 Uiso 0.4737(12) 1 calc PR A -2
C6A C 0.1519(14) 0.4655(17) 0.8109(10) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H6AA H 0.1628 0.4084 0.8077 0.159 Uiso 0.4737(12) 1 calc PR A -2
H6AB H 0.1412 0.4743 0.8370 0.159 Uiso 0.4737(12) 1 calc PR A -2
C7A C 0.0814(15) 0.487(2) 0.7883(8) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H7AA H 0.0823 0.5445 0.7834 0.159 Uiso 0.4737(12) 1 calc PR A -2
H7AB H 0.0838 0.4592 0.7645 0.159 Uiso 0.4737(12) 1 calc PR A -2
C8A C 0.0067(14) 0.4667(9) 0.8056(9) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H8AA H -0.0334 0.4644 0.7861 0.159 Uiso 0.4737(12) 1 calc PR A -2
H8AB H -0.0068 0.5102 0.8223 0.159 Uiso 0.4737(12) 1 calc PR A -2
C9A C 0.0053(19) 0.3901(8) 0.8266(7) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H9AA H 0.0420 0.3946 0.8474 0.159 Uiso 0.4737(12) 1 calc PR A -2
H9AB H -0.0463 0.3838 0.8368 0.159 Uiso 0.4737(12) 1 calc PR A -2
C10A C 0.024(3) 0.3167(10) 0.8057(6) 0.133(5) Uani 0.4737(12) 1 d PDU A -2
H10C H 0.0734 0.3242 0.7937 0.159 Uiso 0.4737(12) 1 calc PR A -2
H10D H -0.0157 0.3088 0.7863 0.159 Uiso 0.4737(12) 1 calc PR A -2
C11A C 0.0284(17) 0.2421(9) 0.8292(5) 0.110(10) Uani 0.4737(12) 1 d PDU A -2
H11C H -0.0223 0.2317 0.8398 0.132 Uiso 0.4737(12) 1 calc PR A -2
H11D H 0.0654 0.2507 0.8497 0.132 Uiso 0.4737(12) 1 calc PR A -2
C12A C 0.0527(15) 0.1707(9) 0.8075(4) 0.059(6) Uani 0.4737(12) 1 d PDU A -2
H12C H 0.0130 0.1606 0.7883 0.071 Uiso 0.4737(12) 1 calc PR A -2
H12D H 0.1005 0.1843 0.7949 0.071 Uiso 0.4737(12) 1 calc PR A -2
C13A C 0.0659(11) 0.0956(9) 0.8282(5) 0.069(6) Uani 0.4737(12) 1 d PDU A -2
H13C H 0.0910 0.1093 0.8518 0.082 Uiso 0.4737(12) 1 calc PR A -2
H13D H 0.0153 0.0727 0.8336 0.082 Uiso 0.4737(12) 1 calc PR A -2
C14A C 0.1128(9) 0.0323(8) 0.8106(8) 0.100(10) Uani 0.4737(12) 1 d PDU A -2
H14C H 0.0804 0.0061 0.7917 0.120 Uiso 0.4737(12) 1 calc PR A -2
H14D H 0.1256 -0.0080 0.8294 0.120 Uiso 0.4737(12) 1 calc PR A -2
C15A C 0.1861(8) 0.0577(11) 0.7931(4) 0.056(4) Uani 0.4737(12) 1 d PDU A -2
H15C H 0.1893 0.1162 0.7941 0.067 Uiso 0.4737(12) 1 calc PR A -2
H15D H 0.1835 0.0424 0.7670 0.067 Uiso 0.4737(12) 1 calc PR A -2
C16A C 0.2587(9) 0.0239(11) 0.8099(5) 0.056(4) Uani 0.4737(12) 1 d PDU A -2
H16C H 0.2992 0.0257 0.7914 0.067 Uiso 0.4737(12) 1 calc PR A -2
H16D H 0.2497 -0.0324 0.8160 0.067 Uiso 0.4737(12) 1 calc PR A -2
C17A C 0.2878(11) 0.0663(11) 0.8441(4) 0.056(4) Uani 0.4737(12) 1 d PDU A -2
H17C H 0.2560 0.0503 0.8649 0.067 Uiso 0.4737(12) 1 calc PR A -2
H17D H 0.2813 0.1240 0.8407 0.067 Uiso 0.4737(12) 1 calc PR A -2
C18A C 0.3715(12) 0.049(2) 0.8538(8) 0.056(4) Uani 0.4737(12) 1 d PDU A -2
H18C H 0.4034 0.0604 0.8324 0.067 Uiso 0.4737(12) 1 calc PR A -2
H18D H 0.3776 -0.0075 0.8602 0.067 Uiso 0.4737(12) 1 calc PR A -2
C19A C 0.3580(8) 0.4520(11) 0.9130(6) 0.070(7) Uani 0.4737(12) 1 d PDU A -2
H19C H 0.4036 0.4597 0.9291 0.084 Uiso 0.4737(12) 1 calc PR A -2
H19D H 0.3429 0.5049 0.9038 0.084 Uiso 0.4737(12) 1 calc PR A -2
C20A C 0.2936(8) 0.4223(12) 0.9369(4) 0.066(6) Uani 0.4737(12) 1 d PDU A -2
H20C H 0.3009 0.3649 0.9413 0.080 Uiso 0.4737(12) 1 calc PR A -2
H20D H 0.2971 0.4495 0.9608 0.080 Uiso 0.4737(12) 1 calc PR A -2
C21A C 0.2147(8) 0.4352(16) 0.9205(6) 0.079(9) Uani 0.4737(12) 1 d PDU A -2
H21C H 0.2125 0.4115 0.8958 0.094 Uiso 0.4737(12) 1 calc PR A -2
H21D H 0.2059 0.4929 0.9178 0.094 Uiso 0.4737(12) 1 calc PR A -2
C22A C 0.1505(8) 0.4004(17) 0.9429(5) 0.088(8) Uani 0.4737(12) 1 d PDU A -2
H22C H 0.1656 0.3467 0.9511 0.105 Uiso 0.4737(12) 1 calc PR A -2
H22D H 0.1438 0.4335 0.9649 0.105 Uiso 0.4737(12) 1 calc PR A -2
C23A C 0.0747(9) 0.3950(17) 0.9223(6) 0.112(11) Uani 0.4737(12) 1 d PDU A -2
H23C H 0.0586 0.4492 0.9152 0.135 Uiso 0.4737(12) 1 calc PR A -2
H23D H 0.0825 0.3649 0.8995 0.135 Uiso 0.4737(12) 1 calc PR A -2
C24A C 0.0108(9) 0.3569(8) 0.9425(7) 0.135(11) Uani 0.4737(12) 1 d PDU A -2
H24C H -0.0352 0.3559 0.9262 0.163 Uiso 0.4737(12) 1 calc PR A -2
H24D H -0.0012 0.3905 0.9637 0.163 Uiso 0.4737(12) 1 calc PR A -2
C25A C 0.0255(19) 0.2742(8) 0.9559(5) 0.141(12) Uani 0.4737(12) 1 d PDU A -2
H25C H 0.0758 0.2737 0.9689 0.169 Uiso 0.4737(12) 1 calc PR A -2
H25D H -0.0137 0.2613 0.9741 0.169 Uiso 0.4737(12) 1 calc PR A -2
C26A C 0.0254(18) 0.2094(8) 0.9279(4) 0.091(8) Uani 0.4737(12) 1 d PDU A -2
H26C H 0.0675 0.2186 0.9109 0.109 Uiso 0.4737(12) 1 calc PR A -2
H26D H -0.0233 0.2112 0.9137 0.109 Uiso 0.4737(12) 1 calc PR A -2
C27A C 0.035(2) 0.1276(8) 0.9450(4) 0.081(8) Uani 0.4737(12) 1 d PDU A -2
H27C H 0.0855 0.1245 0.9574 0.097 Uiso 0.4737(12) 1 calc PR A -2
H27D H -0.0045 0.1208 0.9639 0.097 Uiso 0.4737(12) 1 calc PR A -2
C28A C 0.0275(13) 0.0606(8) 0.9179(4) 0.067(6) Uani 0.4737(12) 1 d PDU A -2
H28C H -0.0243 0.0621 0.9065 0.080 Uiso 0.4737(12) 1 calc PR A -2
H28D H 0.0648 0.0692 0.8983 0.080 Uiso 0.4737(12) 1 calc PR A -2
C29A C 0.0406(7) -0.0202(8) 0.9339(5) 0.070(7) Uani 0.4737(12) 1 d PDU A -2
H29C H -0.0032 -0.0331 0.9494 0.084 Uiso 0.4737(12) 1 calc PR A -2
H29D H 0.0406 -0.0590 0.9136 0.084 Uiso 0.4737(12) 1 calc PR A -2
C30A C 0.1130(6) -0.0311(11) 0.9563(4) 0.056(5) Uani 0.4737(12) 1 d PDU A -2
H30C H 0.1141 -0.0858 0.9659 0.067 Uiso 0.4737(12) 1 calc PR A -2
H30D H 0.1117 0.0053 0.9774 0.067 Uiso 0.4737(12) 1 calc PR A -2
C31A C 0.1861(6) -0.0164(13) 0.9360(4) 0.049(5) Uani 0.4737(12) 1 d PDU A -2
H31C H 0.1839 0.0375 0.9254 0.058 Uiso 0.4737(12) 1 calc PR A -2
H31D H 0.1886 -0.0545 0.9155 0.058 Uiso 0.4737(12) 1 calc PR A -2
C32A C 0.2586(6) -0.0237(9) 0.9589(3) 0.040(4) Uani 0.4737(12) 1 d PDU A -2
H32C H 0.2628 -0.0787 0.9680 0.048 Uiso 0.4737(12) 1 calc PR A -2
H32D H 0.2546 0.0115 0.9804 0.048 Uiso 0.4737(12) 1 calc PR A -2
C33A C 0.3315(6) -0.0032(7) 0.9389(4) 0.040(5) Uani 0.4737(12) 1 d PDU A -2
H33C H 0.3322 -0.0327 0.9156 0.048 Uiso 0.4737(12) 1 calc PR A -2
H33D H 0.3762 -0.0205 0.9539 0.048 Uiso 0.4737(12) 1 calc PR A -2
C34A C 0.3388(9) 0.0853(7) 0.9310(4) 0.027(3) Uani 0.4737(12) 1 d PDU A -2
H34C H 0.3560 0.1121 0.9538 0.032 Uiso 0.4737(12) 1 calc PR A -2
H34D H 0.2874 0.1061 0.9245 0.032 Uiso 0.4737(12) 1 calc PR A -2
C35A C 0.4971(10) 0.0698(12) 0.9061(4) 0.034(5) Uani 0.4737(12) 1 d PDU A -2
H35C H 0.4909 0.0117 0.9077 0.041 Uiso 0.4737(12) 1 calc PR A -2
H35D H 0.5329 0.0808 0.8861 0.041 Uiso 0.4737(12) 1 calc PR A -2
C36A C 0.5327(8) 0.0997(10) 0.9419(4) 0.049(5) Uani 0.4737(12) 1 d PDU A -2
H36C H 0.5455 0.1565 0.9392 0.059 Uiso 0.4737(12) 1 calc PR A -2
H36D H 0.4946 0.0952 0.9614 0.059 Uiso 0.4737(12) 1 calc PR A -2
C37A C 0.6041(8) 0.0553(12) 0.9536(6) 0.074(8) Uani 0.4737(12) 1 d PDU A -2
H37C H 0.5971 -0.0015 0.9476 0.089 Uiso 0.4737(12) 1 calc PR A -2
H37D H 0.6108 0.0597 0.9804 0.089 Uiso 0.4737(12) 1 calc PR A -2
C38A C 0.6764(9) 0.0847(15) 0.9357(8) 0.130(12) Uani 0.4737(12) 1 d PDU A -2
H38C H 0.7156 0.0425 0.9372 0.156 Uiso 0.4737(12) 1 calc PR A -2
H38D H 0.6650 0.0948 0.9095 0.156 Uiso 0.4737(12) 1 calc PR A -2
C39A C 0.7090(14) 0.1595(16) 0.9527(8) 0.146(12) Uani 0.4737(12) 1 d PDU A -2
H39C H 0.6748 0.2043 0.9463 0.175 Uiso 0.4737(12) 1 calc PR A -2
H39D H 0.7091 0.1536 0.9796 0.175 Uiso 0.4737(12) 1 calc PR A -2
C40A C 0.7886(11) 0.1794(16) 0.9412(8) 0.206(17) Uani 0.4737(12) 1 d PDU A -2
H40C H 0.8062 0.1375 0.9245 0.247 Uiso 0.4737(12) 1 calc PR A -2
H40D H 0.8228 0.1785 0.9632 0.247 Uiso 0.4737(12) 1 calc PR A -2
C41A C 0.797(2) 0.2581(17) 0.9226(7) 0.245(19) Uani 0.4737(12) 1 d PDU A -2
H41C H 0.7715 0.2988 0.9374 0.294 Uiso 0.4737(12) 1 calc PR A -2
H41D H 0.8524 0.2715 0.9225 0.294 Uiso 0.4737(12) 1 calc PR A -2
C42A C 0.7666(15) 0.264(3) 0.8842(9) 0.201(18) Uani 0.4737(12) 1 d PDU A -2
H42C H 0.7215 0.2991 0.8837 0.241 Uiso 0.4737(12) 1 calc PR A -2
H42D H 0.7492 0.2105 0.8762 0.241 Uiso 0.4737(12) 1 calc PR A -2
C43A C 0.8251(13) 0.295(2) 0.8575(8) 0.209(17) Uani 0.4737(12) 1 d PDU A -2
H43C H 0.8590 0.3333 0.8701 0.251 Uiso 0.4737(12) 1 calc PR A -2
H43D H 0.8571 0.2501 0.8492 0.251 Uiso 0.4737(12) 1 calc PR A -2
C44A C 0.788(2) 0.3341(15) 0.8245(7) 0.207(17) Uani 0.4737(12) 1 d PDU A -2
H44C H 0.8215 0.3273 0.8034 0.249 Uiso 0.4737(12) 1 calc PR A -2
H44D H 0.7391 0.3064 0.8187 0.249 Uiso 0.4737(12) 1 calc PR A -2
C45A C 0.7713(17) 0.4204(17) 0.8291(10) 0.218(16) Uani 0.4737(12) 1 d PDU A -2
H45C H 0.7485 0.4281 0.8533 0.262 Uiso 0.4737(12) 1 calc PR A -2
H45D H 0.8206 0.4492 0.8293 0.262 Uiso 0.4737(12) 1 calc PR A -2
C46A C 0.7193(14) 0.4582(17) 0.8009(7) 0.175(13) Uani 0.4737(12) 1 d PDU A -2
H46C H 0.7392 0.4464 0.7764 0.210 Uiso 0.4737(12) 1 calc PR A -2
H46D H 0.7212 0.5163 0.8042 0.210 Uiso 0.4737(12) 1 calc PR A -2
C47A C 0.6367(13) 0.4318(18) 0.8019(6) 0.122(6) Uani 0.4737(12) 1 d PDU A -2
H47C H 0.6353 0.3733 0.8020 0.146 Uiso 0.4737(12) 1 calc PR A -2
H47D H 0.6102 0.4500 0.7792 0.146 Uiso 0.4737(12) 1 calc PR A -2
C48A C 0.5931(14) 0.462(2) 0.8342(7) 0.122(6) Uani 0.4737(12) 1 d PDU A -2
H48C H 0.5926 0.5203 0.8336 0.146 Uiso 0.4737(12) 1 calc PR A -2
H48D H 0.6207 0.4454 0.8569 0.146 Uiso 0.4737(12) 1 calc PR A -2
C49A C 0.5109(13) 0.432(3) 0.8358(7) 0.122(6) Uani 0.4737(12) 1 d PDU A -2
H49C H 0.5088 0.3753 0.8295 0.146 Uiso 0.4737(12) 1 d PR A -2
H49D H 0.4813 0.4615 0.8167 0.146 Uiso 0.4737(12) 1 d PR A -2
C50A C 0.4748(16) 0.448(3) 0.8727(7) 0.122(6) Uani 0.4737(12) 1 d PDU A -2
H50C H 0.4717 0.5055 0.8775 0.146 Uiso 0.4737(12) 1 d PR A -2
H50D H 0.5081 0.4243 0.8920 0.146 Uiso 0.4737(12) 1 d PR A -2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 C1 1.8827(4) . ?
Os1 C2 1.9096(4) . ?
Os1 P1 2.4087(19) . ?
Os1 P2 2.408(2) . ?
Os1 Cl2 2.438(2) . ?
Os1 Cl1 2.451(2) . ?
P1 C35 1.815(8) . ?
P1 C19 1.824(8) . ?
P1 C3 1.846(8) . ?
P2 C50 1.823(9) . ?
P2 C34 1.830(8) . ?
P2 C18 1.840(8) . ?
C1 O1 1.1357 . ?
C2 O2 1.0168 . ?
C3 C4 1.528(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.514(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.522(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.515(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.506(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.505(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.503(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.526(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.514(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.503(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.510(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.513(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.515(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.525(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.525(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.525(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.510(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.519(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.514(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.502(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.507(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.497(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.522(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.516(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.499(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.506(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.513(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.510(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.522(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.526(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.526(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.511(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.520(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.512(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.502(7) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.503(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.494(8) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.526(8) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.512(8) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.494(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.504(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.516(7) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.507(7) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.524(6) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.527(6) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
Os2 C51 1.880(4) . ?
Os2 C52 1.897(4) . ?
Os2 P51 2.404(3) . ?
Os2 P52 2.408(3) . ?
Os2 Cl52 2.449(3) . ?
Os2 Cl51 2.450(3) . ?
P51 C53 1.65(2) . ?
P51 C100 1.69(2) . ?
P51 C69 1.854(15) . ?
P52 C85 1.808(15) . ?
P52 C68 1.78(2) . ?
P52 C84 1.824(14) . ?
C51 O51 1.104(4) . ?
C52 O52 1.038(4) . ?
C53 C54 1.534(6) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.509(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.520(7) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.516(7) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.501(7) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.502(8) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.498(8) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.527(8) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.511(8) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.492(8) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.496(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.516(7) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.512(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.520(7) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.530(6) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.525(6) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.511(7) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.521(7) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.515(7) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.501(7) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.502(8) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.499(8) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.524(8) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.510(8) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.499(8) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.506(8) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C81 1.516(7) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.509(7) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.521(7) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.527(6) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.527(6) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.509(6) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.519(7) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C89 1.515(7) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.503(7) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 C91 1.501(8) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.496(8) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 C93 1.525(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.513(8) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.496(8) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.503(8) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 C97 1.512(7) . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C97 C98 1.509(7) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C99 1.524(7) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C100 1.527(7) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C99 H49C 1.2535 . ?
C99 H49D 1.1741 . ?
C99 H50C 1.6637 . ?
C100 H10E 0.9900 . ?
C100 H10F 0.9900 . ?
C100 H50C 1.2542 . ?
C100 H50D 1.4611 . ?
Os2A C1A 1.882(4) . ?
Os2A C2A 1.902(4) . ?
Os2A P51A 2.404(3) . ?
Os2A P52A 2.406(3) . ?
Os2A Cl54 2.452(3) . ?
Os2A Cl53 2.450(3) . ?
P51A C50A 1.78(3) . ?
P51A C19A 1.82(2) . ?
P51A C3A 2.01(4) . ?
P52A C35A 1.812(17) . ?
P52A C34A 1.860(14) . ?
P52A C18A 1.91(2) . ?
C1A O1A 1.101(5) . ?
C2A O2A 1.026(5) . ?
C3A C4A 1.558(13) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C4A C5A 1.510(6) . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C5A C6A 1.520(7) . ?
C5A H5AA 0.9900 . ?
C5A H5AB 0.9900 . ?
C6A C7A 1.515(7) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C7A C8A 1.502(7) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
C8A C9A 1.504(8) . ?
C8A H8AA 0.9900 . ?
C8A H8AB 0.9900 . ?
C9A C10A 1.496(8) . ?
C9A H9AA 0.9900 . ?
C9A H9AB 0.9900 . ?
C10A C11A 1.527(8) . ?
C10A H10C 0.9900 . ?
C10A H10D 0.9900 . ?
C11A C12A 1.511(8) . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C12A C13A 1.493(8) . ?
C12A H12C 0.9900 . ?
C12A H12D 0.9900 . ?
C13A C14A 1.502(8) . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C14A C15A 1.509(7) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C15A C16A 1.511(7) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A C17A 1.521(7) . ?
C16A H16C 0.9900 . ?
C16A H16D 0.9900 . ?
C17A C18A 1.526(7) . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
C18A H18C 0.9900 . ?
C18A H18D 0.9900 . ?
C19A C20A 1.525(6) . ?
C19A H19C 0.9900 . ?
C19A H19D 0.9900 . ?
C20A C21A 1.509(7) . ?
C20A H20C 0.9900 . ?
C20A H20D 0.9900 . ?
C21A C22A 1.522(7) . ?
C21A H21C 0.9900 . ?
C21A H21D 0.9900 . ?
C22A C23A 1.514(7) . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?
C23A C24A 1.500(7) . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C24A C25A 1.502(8) . ?
C24A H24C 0.9900 . ?
C24A H24D 0.9900 . ?
C25A C26A 1.500(8) . ?
C25A H25C 0.9900 . ?
C25A H25D 0.9900 . ?
C26A C27A 1.524(8) . ?
C26A H26C 0.9900 . ?
C26A H26D 0.9900 . ?
C27A C28A 1.510(8) . ?
C27A H27C 0.9900 . ?
C27A H27D 0.9900 . ?
C28A C29A 1.500(8) . ?
C28A H28C 0.9900 . ?
C28A H28D 0.9900 . ?
C29A C30A 1.505(8) . ?
C29A H29C 0.9900 . ?
C29A H29D 0.9900 . ?
C30A C31A 1.512(7) . ?
C30A H30C 0.9900 . ?
C30A H30D 0.9900 . ?
C31A C32A 1.510(7) . ?
C31A H31C 0.9900 . ?
C31A H31D 0.9900 . ?
C32A C33A 1.523(7) . ?
C32A H32C 0.9900 . ?
C32A H32D 0.9900 . ?
C33A C34A 1.528(6) . ?
C33A H33C 0.9900 . ?
C33A H33D 0.9900 . ?
C34A H34C 0.9900 . ?
C34A H34D 0.9900 . ?
C35A C36A 1.526(6) . ?
C35A H35C 0.9900 . ?
C35A H35D 0.9900 . ?
C36A C37A 1.511(7) . ?
C36A H36C 0.9900 . ?
C36A H36D 0.9900 . ?
C37A C38A 1.520(7) . ?
C37A H37C 0.9900 . ?
C37A H37D 0.9900 . ?
C38A C39A 1.516(7) . ?
C38A H38C 0.9900 . ?
C38A H38D 0.9900 . ?
C39A C40A 1.502(7) . ?
C39A H39C 0.9900 . ?
C39A H39D 0.9900 . ?
C40A C41A 1.503(8) . ?
C40A H40C 0.9900 . ?
C40A H40D 0.9900 . ?
C41A C42A 1.497(8) . ?
C41A H41C 0.9900 . ?
C41A H41D 0.9900 . ?
C42A C43A 1.525(8) . ?
C42A H42C 0.9900 . ?
C42A H42D 0.9900 . ?
C43A C44A 1.514(8) . ?
C43A H43C 0.9900 . ?
C43A H43D 0.9900 . ?
C44A C45A 1.496(8) . ?
C44A H44C 0.9900 . ?
C44A H44D 0.9900 . ?
C45A C46A 1.503(8) . ?
C45A H45C 0.9900 . ?
C45A H45D 0.9900 . ?
C46A C47A 1.513(7) . ?
C46A H46C 0.9900 . ?
C46A H46D 0.9900 . ?
C47A C48A 1.509(7) . ?
C47A H47C 0.9900 . ?
C47A H47D 0.9900 . ?
C48A C49A 1.525(7) . ?
C48A H48C 0.9900 . ?
C48A H48D 0.9900 . ?
C49A C50A 1.527(7) . ?
C49A H49C 0.9900 . ?
C49A H49D 0.9900 . ?
C50A H50C 0.9900 . ?
C50A H50D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Os1 C2 92.131(18) . . ?
C1 Os1 P1 89.45(6) . . ?
C2 Os1 P1 92.41(5) . . ?
C1 Os1 P2 93.16(6) . . ?
C2 Os1 P2 89.06(6) . . ?
P1 Os1 P2 176.96(8) . . ?
C1 Os1 Cl2 177.83(5) . . ?
C2 Os1 Cl2 87.99(5) . . ?
P1 Os1 Cl2 88.38(7) . . ?
P2 Os1 Cl2 89.01(7) . . ?
C1 Os1 Cl1 89.74(6) . . ?
C2 Os1 Cl1 177.29(6) . . ?
P1 Os1 Cl1 89.57(8) . . ?
P2 Os1 Cl1 88.87(8) . . ?
Cl2 Os1 Cl1 90.22(8) . . ?
C35 P1 C19 106.1(4) . . ?
C35 P1 C3 106.1(4) . . ?
C19 P1 C3 101.5(4) . . ?
C35 P1 Os1 112.0(3) . . ?
C19 P1 Os1 113.6(3) . . ?
C3 P1 Os1 116.5(3) . . ?
C50 P2 C34 105.3(5) . . ?
C50 P2 C18 102.5(4) . . ?
C34 P2 C18 105.5(5) . . ?
C50 P2 Os1 113.9(3) . . ?
C34 P2 Os1 111.9(3) . . ?
C18 P2 Os1 116.6(3) . . ?
O1 C1 Os1 176.721(11) . . ?
O2 C2 Os1 178.047(11) . . ?
C4 C3 P1 114.5(5) . . ?
C4 C3 H3A 108.6 . . ?
P1 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
P1 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
C5 C4 C3 112.9(5) . . ?
C5 C4 H4A 109.0 . . ?
C3 C4 H4A 109.0 . . ?
C5 C4 H4B 109.0 . . ?
C3 C4 H4B 109.0 . . ?
H4A C4 H4B 107.8 . . ?
C4 C5 C6 112.9(5) . . ?
C4 C5 H5A 109.0 . . ?
C6 C5 H5A 109.0 . . ?
C4 C5 H5B 109.0 . . ?
C6 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
C7 C6 C5 113.9(5) . . ?
C7 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 . . ?
C7 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
C8 C7 C6 114.0(5) . . ?
C8 C7 H7A 108.7 . . ?
C6 C7 H7A 108.7 . . ?
C8 C7 H7B 108.8 . . ?
C6 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C7 C8 C9 115.2(5) . . ?
C7 C8 H8A 108.5 . . ?
C9 C8 H8A 108.5 . . ?
C7 C8 H8B 108.5 . . ?
C9 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C10 C9 C8 115.5(6) . . ?
C10 C9 H9A 108.4 . . ?
C8 C9 H9A 108.4 . . ?
C10 C9 H9B 108.4 . . ?
C8 C9 H9B 108.4 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C11 112.7(6) . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10B 109.1 . . ?
C11 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C10 112.9(6) . . ?
C12 C11 H11A 109.0 . . ?
C10 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C13 C12 C11 114.2(5) . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 C12 115.3(5) . . ?
C14 C13 H13A 108.4 . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13B 108.4 . . ?
C12 C13 H13B 108.4 . . ?
H13A C13 H13B 107.5 . . ?
C13 C14 C15 113.8(5) . . ?
C13 C14 H14A 108.8 . . ?
C15 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
C15 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C14 C15 C16 114.4(5) . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15B 108.7 . . ?
C16 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 C17 112.2(5) . . ?
C15 C16 H16A 109.2 . . ?
C17 C16 H16A 109.2 . . ?
C15 C16 H16B 109.2 . . ?
C17 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 C18 113.0(5) . . ?
C16 C17 H17A 109.0 . . ?
C18 C17 H17A 109.0 . . ?
C16 C17 H17B 109.0 . . ?
C18 C17 H17B 109.0 . . ?
H17A C17 H17B 107.8 . . ?
C17 C18 P2 114.0(5) . . ?
C17 C18 H18A 108.8 . . ?
P2 C18 H18A 108.8 . . ?
C17 C18 H18B 108.8 . . ?
P2 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
C20 C19 P1 116.7(5) . . ?
C20 C19 H19A 108.1 . . ?
P1 C19 H19A 108.1 . . ?
C20 C19 H19B 108.1 . . ?
P1 C19 H19B 108.1 . . ?
H19A C19 H19B 107.3 . . ?
C21 C20 C19 113.0(5) . . ?
C21 C20 H20A 109.0 . . ?
C19 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
C19 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
C20 C21 C22 114.5(6) . . ?
C20 C21 H21A 108.6 . . ?
C22 C21 H21A 108.6 . . ?
C20 C21 H21B 108.7 . . ?
C22 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
C23 C22 C21 114.5(6) . . ?
C23 C22 H22A 108.6 . . ?
C21 C22 H22A 108.6 . . ?
C23 C22 H22B 108.6 . . ?
C21 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 115.6(6) . . ?
C24 C23 H23A 108.4 . . ?
C22 C23 H23A 108.4 . . ?
C24 C23 H23B 108.4 . . ?
C22 C23 H23B 108.4 . . ?
H23A C23 H23B 107.4 . . ?
C23 C24 C25 115.8(6) . . ?
C23 C24 H24A 108.3 . . ?
C25 C24 H24A 108.3 . . ?
C23 C24 H24B 108.3 . . ?
C25 C24 H24B 108.3 . . ?
H24A C24 H24B 107.4 . . ?
C26 C25 C24 116.0(7) . . ?
C26 C25 H25A 108.3 . . ?
C24 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
C24 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 C27 114.7(7) . . ?
C25 C26 H26A 108.6 . . ?
C27 C26 H26A 108.6 . . ?
C25 C26 H26B 108.6 . . ?
C27 C26 H26B 108.6 . . ?
H26A C26 H26B 107.6 . . ?
C26 C27 C28 112.6(7) . . ?
C26 C27 H27A 109.1 . . ?
C28 C27 H27A 109.1 . . ?
C26 C27 H27B 109.1 . . ?
C28 C27 H27B 109.1 . . ?
H27A C27 H27B 107.8 . . ?
C29 C28 C27 115.5(7) . . ?
C29 C28 H28A 108.4 . . ?
C27 C28 H28A 108.4 . . ?
C29 C28 H28B 108.4 . . ?
C27 C28 H28B 108.4 . . ?
H28A C28 H28B 107.5 . . ?
C30 C29 C28 116.7(7) . . ?
C30 C29 H29A 108.1 . . ?
C28 C29 H29A 108.1 . . ?
C30 C29 H29B 108.1 . . ?
C28 C29 H29B 108.1 . . ?
H29A C29 H29B 107.3 . . ?
C29 C30 C31 115.2(6) . . ?
C29 C30 H30A 108.5 . . ?
C31 C30 H30A 108.5 . . ?
C29 C30 H30B 108.5 . . ?
C31 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
C30 C31 C32 114.8(6) . . ?
C30 C31 H31A 108.6 . . ?
C32 C31 H31A 108.6 . . ?
C30 C31 H31B 108.6 . . ?
C32 C31 H31B 108.6 . . ?
H31A C31 H31B 107.5 . . ?
C31 C32 C33 115.0(5) . . ?
C31 C32 H32A 108.5 . . ?
C33 C32 H32A 108.5 . . ?
C31 C32 H32B 108.5 . . ?
C33 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 C34 113.6(5) . . ?
C32 C33 H33A 108.8 . . ?
C34 C33 H33A 108.9 . . ?
C32 C33 H33B 108.9 . . ?
C34 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 P2 117.3(6) . . ?
C33 C34 H34A 108.0 . . ?
P2 C34 H34A 108.0 . . ?
C33 C34 H34B 108.0 . . ?
P2 C34 H34B 108.0 . . ?
H34A C34 H34B 107.2 . . ?
C36 C35 P1 118.5(6) . . ?
C36 C35 H35A 107.7 . . ?
P1 C35 H35A 107.7 . . ?
C36 C35 H35B 107.7 . . ?
P1 C35 H35B 107.7 . . ?
H35A C35 H35B 107.1 . . ?
C37 C36 C35 113.4(5) . . ?
C37 C36 H36A 108.9 . . ?
C35 C36 H36A 108.9 . . ?
C37 C36 H36B 108.9 . . ?
C35 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
C36 C37 C38 114.9(5) . . ?
C36 C37 H37A 108.6 . . ?
C38 C37 H37A 108.5 . . ?
C36 C37 H37B 108.5 . . ?
C38 C37 H37B 108.5 . . ?
H37A C37 H37B 107.5 . . ?
C39 C38 C37 114.5(6) . . ?
C39 C38 H38A 108.6 . . ?
C37 C38 H38A 108.6 . . ?
C39 C38 H38B 108.6 . . ?
C37 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 C38 115.9(7) . . ?
C40 C39 H39A 108.3 . . ?
C38 C39 H39A 108.3 . . ?
C40 C39 H39B 108.3 . . ?
C38 C39 H39B 108.3 . . ?
H39A C39 H39B 107.4 . . ?
C39 C40 C41 115.7(7) . . ?
C39 C40 H40A 108.3 . . ?
C41 C40 H40A 108.3 . . ?
C39 C40 H40B 108.4 . . ?
C41 C40 H40B 108.3 . . ?
H40A C40 H40B 107.4 . . ?
C42 C41 C40 117.2(8) . . ?
C42 C41 H41A 108.0 . . ?
C40 C41 H41A 108.0 . . ?
C42 C41 H41B 108.0 . . ?
C40 C41 H41B 108.0 . . ?
H41A C41 H41B 107.2 . . ?
C41 C42 C43 113.5(8) . . ?
C41 C42 H42A 108.9 . . ?
C43 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
C43 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C44 C43 C42 111.5(8) . . ?
C44 C43 H43A 109.3 . . ?
C42 C43 H43A 109.3 . . ?
C44 C43 H43B 109.3 . . ?
C42 C43 H43B 109.3 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C43 114.8(8) . . ?
C45 C44 H44A 108.6 . . ?
C43 C44 H44A 108.5 . . ?
C45 C44 H44B 108.6 . . ?
C43 C44 H44B 108.6 . . ?
H44A C44 H44B 107.5 . . ?
C46 C45 C44 116.4(8) . . ?
C46 C45 H45A 108.2 . . ?
C44 C45 H45A 108.2 . . ?
C46 C45 H45B 108.2 . . ?
C44 C45 H45B 108.2 . . ?
H45A C45 H45B 107.3 . . ?
C45 C46 C47 113.6(7) . . ?
C45 C46 H46A 108.8 . . ?
C47 C46 H46A 108.9 . . ?
C45 C46 H46B 108.9 . . ?
C47 C46 H46B 108.9 . . ?
H46A C46 H46B 107.7 . . ?
C46 C47 C48 114.1(7) . . ?
C46 C47 H47A 108.7 . . ?
C48 C47 H47A 108.7 . . ?
C46 C47 H47B 108.7 . . ?
C48 C47 H47B 108.7 . . ?
H47A C47 H47B 107.6 . . ?
C47 C48 C49 114.9(7) . . ?
C47 C48 H48A 108.5 . . ?
C49 C48 H48A 108.5 . . ?
C47 C48 H48B 108.5 . . ?
C49 C48 H48B 108.5 . . ?
H48A C48 H48B 107.5 . . ?
C48 C49 C50 112.2(6) . . ?
C48 C49 H49A 109.2 . . ?
C50 C49 H49A 109.2 . . ?
C48 C49 H49B 109.2 . . ?
C50 C49 H49B 109.2 . . ?
H49A C49 H49B 107.9 . . ?
C49 C50 P2 117.8(6) . . ?
C49 C50 H50A 107.9 . . ?
P2 C50 H50A 107.9 . . ?
C49 C50 H50B 107.9 . . ?
P2 C50 H50B 107.9 . . ?
H50A C50 H50B 107.2 . . ?
C51 Os2 C52 91.8(4) . . ?
C51 Os2 P51 90.1(3) . . ?
C52 Os2 P51 93.8(3) . . ?
C51 Os2 P52 91.9(3) . . ?
C52 Os2 P52 91.7(3) . . ?
P51 Os2 P52 174.05(16) . . ?
C51 Os2 Cl52 179.5(3) . . ?
C52 Os2 Cl52 87.7(3) . . ?
P51 Os2 Cl52 90.01(16) . . ?
P52 Os2 Cl52 88.08(15) . . ?
C51 Os2 Cl51 90.6(3) . . ?
C52 Os2 Cl51 177.1(3) . . ?
P51 Os2 Cl51 87.69(15) . . ?
P52 Os2 Cl51 86.66(14) . . ?
Cl52 Os2 Cl51 89.86(14) . . ?
C53 P51 C100 105.8(14) . . ?
C53 P51 C69 105.5(12) . . ?
C100 P51 C69 101.1(9) . . ?
C53 P51 Os2 113.7(9) . . ?
C100 P51 Os2 115.3(8) . . ?
C69 P51 Os2 114.1(5) . . ?
C85 P52 C68 101.7(7) . . ?
C85 P52 C84 104.1(8) . . ?
C68 P52 C84 106.8(8) . . ?
C85 P52 Os2 115.7(6) . . ?
C68 P52 Os2 112.7(8) . . ?
C84 P52 Os2 114.6(4) . . ?
O51 C51 Os2 174.6(11) . . ?
O52 C52 Os2 170.9(11) . . ?
C54 C53 P51 120.6(16) . . ?
C54 C53 H53A 104.0 . . ?
P51 C53 H53A 104.8 . . ?
C54 C53 H53B 109.5 . . ?
P51 C53 H53B 109.8 . . ?
H53A C53 H53B 107.1 . . ?
C55 C54 C53 113.0(6) . . ?
C55 C54 H54A 108.9 . . ?
C53 C54 H54A 105.9 . . ?
C55 C54 H54B 108.9 . . ?
C53 C54 H54B 112.2 . . ?
H54A C54 H54B 107.8 . . ?
C54 C55 C56 114.4(7) . . ?
C54 C55 H55A 108.5 . . ?
C56 C55 H55A 108.7 . . ?
C54 C55 H55B 108.8 . . ?
C56 C55 H55B 108.6 . . ?
H55A C55 H55B 107.6 . . ?
C57 C56 C55 113.4(7) . . ?
C57 C56 H56A 108.9 . . ?
C55 C56 H56A 108.8 . . ?
C57 C56 H56B 108.8 . . ?
C55 C56 H56B 109.0 . . ?
H56A C56 H56B 107.7 . . ?
C58 C57 C56 114.8(7) . . ?
C58 C57 H57A 108.5 . . ?
C56 C57 H57A 108.6 . . ?
C58 C57 H57B 108.6 . . ?
C56 C57 H57B 108.5 . . ?
H57A C57 H57B 107.5 . . ?
C57 C58 C59 116.1(8) . . ?
C57 C58 H58A 108.3 . . ?
C59 C58 H58A 108.2 . . ?
C57 C58 H58B 108.3 . . ?
C59 C58 H58B 108.3 . . ?
H58A C58 H58B 107.4 . . ?
C60 C59 C58 116.8(8) . . ?
C60 C59 H59A 108.1 . . ?
C58 C59 H59A 108.1 . . ?
C60 C59 H59B 108.1 . . ?
C58 C59 H59B 108.0 . . ?
H59A C59 H59B 107.3 . . ?
C59 C60 C61 113.3(8) . . ?
C59 C60 H60A 108.9 . . ?
C61 C60 H60A 108.9 . . ?
C59 C60 H60B 109.0 . . ?
C61 C60 H60B 108.9 . . ?
H60A C60 H60B 107.7 . . ?
C62 C61 C60 112.6(8) . . ?
C62 C61 H61A 109.1 . . ?
C60 C61 H61A 109.1 . . ?
C62 C61 H61B 109.1 . . ?
C60 C61 H61B 109.1 . . ?
H61A C61 H61B 107.8 . . ?
C63 C62 C61 116.1(8) . . ?
C63 C62 H62A 108.3 . . ?
C61 C62 H62A 108.3 . . ?
C63 C62 H62B 108.2 . . ?
C61 C62 H62B 108.3 . . ?
H62A C62 H62B 107.4 . . ?
C64 C63 C62 118.4(8) . . ?
C64 C63 H63A 107.7 . . ?
C62 C63 H63A 107.7 . . ?
C64 C63 H63B 107.7 . . ?
C62 C63 H63B 107.7 . . ?
H63A C63 H63B 107.1 . . ?
C63 C64 C65 116.5(8) . . ?
C63 C64 H64A 108.2 . . ?
C65 C64 H64A 108.2 . . ?
C63 C64 H64B 108.2 . . ?
C65 C64 H64B 108.2 . . ?
H64A C64 H64B 107.3 . . ?
C64 C65 C66 112.6(7) . . ?
C64 C65 H65A 109.1 . . ?
C66 C65 H65A 109.1 . . ?
C64 C65 H65B 109.1 . . ?
C66 C65 H65B 109.0 . . ?
H65A C65 H65B 107.8 . . ?
C65 C66 C67 116.0(7) . . ?
C65 C66 H66A 108.3 . . ?
C67 C66 H66A 108.3 . . ?
C65 C66 H66B 108.3 . . ?
C67 C66 H66B 108.2 . . ?
H66A C66 H66B 107.4 . . ?
C66 C67 C68 112.7(7) . . ?
C66 C67 H67A 109.1 . . ?
C68 C67 H67A 109.1 . . ?
C66 C67 H67B 109.0 . . ?
C68 C67 H67B 109.0 . . ?
H67A C67 H67B 107.8 . . ?
C67 C68 P52 124.9(14) . . ?
C67 C68 H68A 106.1 . . ?
P52 C68 H68A 106.1 . . ?
C67 C68 H68B 106.2 . . ?
P52 C68 H68B 106.1 . . ?
H68A C68 H68B 106.3 . . ?
C70 C69 P51 114.6(9) . . ?
C70 C69 H69A 108.6 . . ?
P51 C69 H69A 108.6 . . ?
C70 C69 H69B 108.6 . . ?
P51 C69 H69B 108.6 . . ?
H69A C69 H69B 107.6 . . ?
C71 C70 C69 113.4(7) . . ?
C71 C70 H70A 108.9 . . ?
C69 C70 H70A 108.9 . . ?
C71 C70 H70B 108.9 . . ?
C69 C70 H70B 108.9 . . ?
H70A C70 H70B 107.7 . . ?
C70 C71 C72 114.0(7) . . ?
C70 C71 H71A 108.7 . . ?
C72 C71 H71A 108.7 . . ?
C70 C71 H71B 108.8 . . ?
C72 C71 H71B 108.7 . . ?
H71A C71 H71B 107.6 . . ?
C73 C72 C71 113.9(7) . . ?
C73 C72 H72A 108.8 . . ?
C71 C72 H72A 108.8 . . ?
C73 C72 H72B 108.8 . . ?
C71 C72 H72B 108.8 . . ?
H72A C72 H72B 107.7 . . ?
C74 C73 C72 115.4(7) . . ?
C74 C73 H73A 108.4 . . ?
C72 C73 H73A 108.4 . . ?
C74 C73 H73B 108.4 . . ?
C72 C73 H73B 108.4 . . ?
H73A C73 H73B 107.5 . . ?
C73 C74 C75 116.1(7) . . ?
C73 C74 H74A 108.3 . . ?
C75 C74 H74A 108.3 . . ?
C73 C74 H74B 108.3 . . ?
C75 C74 H74B 108.3 . . ?
H74A C74 H74B 107.4 . . ?
C76 C75 C74 116.8(8) . . ?
C76 C75 H75A 108.1 . . ?
C74 C75 H75A 108.1 . . ?
C76 C75 H75B 108.1 . . ?
C74 C75 H75B 108.1 . . ?
H75A C75 H75B 107.3 . . ?
C75 C76 C77 112.9(8) . . ?
C75 C76 H76A 109.0 . . ?
C77 C76 H76A 109.0 . . ?
C75 C76 H76B 109.0 . . ?
C77 C76 H76B 109.0 . . ?
H76A C76 H76B 107.8 . . ?
C78 C77 C76 113.6(8) . . ?
C78 C77 H77A 108.8 . . ?
C76 C77 H77A 108.9 . . ?
C78 C77 H77B 108.9 . . ?
C76 C77 H77B 108.8 . . ?
H77A C77 H77B 107.7 . . ?
C79 C78 C77 114.8(8) . . ?
C79 C78 H78A 108.6 . . ?
C77 C78 H78A 108.6 . . ?
C79 C78 H78B 108.6 . . ?
C77 C78 H78B 108.6 . . ?
H78A C78 H78B 107.6 . . ?
C80 C79 C78 116.3(8) . . ?
C80 C79 H79A 108.2 . . ?
C78 C79 H79A 108.2 . . ?
C80 C79 H79B 108.2 . . ?
C78 C79 H79B 108.2 . . ?
H79A C79 H79B 107.4 . . ?
C79 C80 C81 114.5(7) . . ?
C79 C80 H80A 108.6 . . ?
C81 C80 H80A 108.6 . . ?
C79 C80 H80B 108.6 . . ?
C81 C80 H80B 108.6 . . ?
H80A C80 H80B 107.6 . . ?
C80 C81 C82 113.5(7) . . ?
C80 C81 H81A 108.9 . . ?
C82 C81 H81A 108.9 . . ?
C80 C81 H81B 108.9 . . ?
C82 C81 H81B 108.9 . . ?
H81A C81 H81B 107.7 . . ?
C81 C82 C83 115.1(7) . . ?
C81 C82 H82A 108.5 . . ?
C83 C82 H82A 108.5 . . ?
C81 C82 H82B 108.5 . . ?
C83 C82 H82B 108.5 . . ?
H82A C82 H82B 107.5 . . ?
C82 C83 C84 113.0(7) . . ?
C82 C83 H83A 109.0 . . ?
C84 C83 H83A 109.0 . . ?
C82 C83 H83B 109.0 . . ?
C84 C83 H83B 109.0 . . ?
H83A C83 H83B 107.8 . . ?
C83 C84 P52 114.5(9) . . ?
C83 C84 H84A 108.6 . . ?
P52 C84 H84A 108.6 . . ?
C83 C84 H84B 108.6 . . ?
P52 C84 H84B 108.6 . . ?
H84A C84 H84B 107.6 . . ?
C86 C85 P52 116.2(10) . . ?
C86 C85 H85A 108.3 . . ?
P52 C85 H85A 108.2 . . ?
C86 C85 H85B 108.3 . . ?
P52 C85 H85B 108.2 . . ?
H85A C85 H85B 107.4 . . ?
C87 C86 C85 113.5(6) . . ?
C87 C86 H86A 108.9 . . ?
C85 C86 H86A 108.9 . . ?
C87 C86 H86B 108.9 . . ?
C85 C86 H86B 108.9 . . ?
H86A C86 H86B 107.7 . . ?
C86 C87 C88 114.9(7) . . ?
C86 C87 H87A 108.6 . . ?
C88 C87 H87A 108.5 . . ?
C86 C87 H87B 108.5 . . ?
C88 C87 H87B 108.6 . . ?
H87A C87 H87B 107.5 . . ?
C89 C88 C87 114.6(7) . . ?
C89 C88 H88A 108.6 . . ?
C87 C88 H88A 108.6 . . ?
C89 C88 H88B 108.6 . . ?
C87 C88 H88B 108.6 . . ?
H88A C88 H88B 107.6 . . ?
C90 C89 C88 114.7(7) . . ?
C90 C89 H89A 108.6 . . ?
C88 C89 H89A 108.6 . . ?
C90 C89 H89B 108.6 . . ?
C88 C89 H89B 108.6 . . ?
H89A C89 H89B 107.6 . . ?
C89 C90 C91 116.8(8) . . ?
C89 C90 H90A 108.1 . . ?
C91 C90 H90A 108.1 . . ?
C89 C90 H90B 108.1 . . ?
C91 C90 H90B 108.1 . . ?
H90A C90 H90B 107.3 . . ?
C92 C91 C90 117.3(8) . . ?
C92 C91 H91A 108.0 . . ?
C90 C91 H91A 108.0 . . ?
C92 C91 H91B 108.0 . . ?
C90 C91 H91B 108.0 . . ?
H91A C91 H91B 107.2 . . ?
C91 C92 C93 113.7(8) . . ?
C91 C92 H92A 108.8 . . ?
C93 C92 H92A 108.8 . . ?
C91 C92 H92B 108.8 . . ?
C93 C92 H92B 108.8 . . ?
H92A C92 H92B 107.7 . . ?
C94 C93 C92 112.8(8) . . ?
C94 C93 H93A 109.0 . . ?
C92 C93 H93A 109.0 . . ?
C94 C93 H93B 109.0 . . ?
C92 C93 H93B 109.0 . . ?
H93A C93 H93B 107.8 . . ?
C95 C94 C93 115.6(8) . . ?
C95 C94 H94A 108.4 . . ?
C93 C94 H94A 108.4 . . ?
C95 C94 H94B 108.4 . . ?
C93 C94 H94B 108.4 . . ?
H94A C94 H94B 107.5 . . ?
C96 C95 C94 117.0(8) . . ?
C96 C95 H95A 108.0 . . ?
C94 C95 H95A 108.0 . . ?
C96 C95 H95B 108.1 . . ?
C94 C95 H95B 108.1 . . ?
H95A C95 H95B 107.3 . . ?
C95 C96 C97 115.7(8) . . ?
C95 C96 H96A 108.4 . . ?
C97 C96 H96A 108.4 . . ?
C95 C96 H96B 108.4 . . ?
C97 C96 H96B 108.4 . . ?
H96A C96 H96B 107.4 . . ?
C96 C97 C98 114.7(7) . . ?
C96 C97 H97A 108.6 . . ?
C98 C97 H97A 108.6 . . ?
C96 C97 H97B 108.6 . . ?
C98 C97 H97B 108.6 . . ?
H97A C97 H97B 107.6 . . ?
C97 C98 C99 114.6(7) . . ?
C97 C98 H98A 108.6 . . ?
C99 C98 H98A 108.6 . . ?
C97 C98 H98B 108.6 . . ?
C99 C98 H98B 108.6 . . ?
H98A C98 H98B 107.6 . . ?
C98 C99 C100 112.3(7) . . ?
C98 C99 H99A 109.1 . . ?
C100 C99 H99A 109.1 . . ?
C98 C99 H99B 109.1 . . ?
C100 C99 H99B 109.1 . . ?
H99A C99 H99B 107.9 . . ?
C98 C99 H49C 98.6 . . ?
C100 C99 H49C 128.0 . . ?
H99A C99 H49C 18.9 . . ?
H99B C99 H49C 97.8 . . ?
C98 C99 H49D 103.8 . . ?
C100 C99 H49D 125.5 . . ?
H99A C99 H49D 95.1 . . ?
H99B C99 H49D 17.3 . . ?
H49C C99 H49D 82.4 . . ?
C98 C99 H50C 76.7 . . ?
C100 C99 H50C 46.0 . . ?
H99A C99 H50C 151.5 . . ?
H99B C99 H50C 95.7 . . ?
H49C C99 H50C 166.5 . . ?
H49D C99 H50C 111.0 . . ?
C99 C100 P51 118.5(14) . . ?
C99 C100 H10E 107.7 . . ?
P51 C100 H10E 107.7 . . ?
C99 C100 H10F 107.7 . . ?
P51 C100 H10F 107.7 . . ?
H10E C100 H10F 107.1 . . ?
C99 C100 H50C 72.7 . . ?
P51 C100 H50C 156.6 . . ?
H10E C100 H50C 49.2 . . ?
H10F C100 H50C 86.1 . . ?
C99 C100 H50D 69.5 . . ?
P51 C100 H50D 130.7 . . ?
H10E C100 H50D 115.7 . . ?
H10F C100 H50D 38.4 . . ?
H50C C100 H50D 71.6 . . ?
C1A Os2A C2A 90.5(4) . . ?
C1A Os2A P51A 89.9(3) . . ?
C2A Os2A P51A 94.5(3) . . ?
C1A Os2A P52A 91.7(3) . . ?
C2A Os2A P52A 91.6(3) . . ?
P51A Os2A P52A 173.67(19) . . ?
C1A Os2A Cl54 177.6(3) . . ?
C2A Os2A Cl54 87.1(3) . . ?
P51A Os2A Cl54 90.17(17) . . ?
P52A Os2A Cl54 88.45(16) . . ?
C1A Os2A Cl53 90.5(3) . . ?
C2A Os2A Cl53 178.6(3) . . ?
P51A Os2A Cl53 86.60(16) . . ?
P52A Os2A Cl53 87.27(15) . . ?
Cl54 Os2A Cl53 91.95(15) . . ?
C50A P51A C19A 90.1(11) . . ?
C50A P51A C3A 116(2) . . ?
C19A P51A C3A 108.0(18) . . ?
C50A P51A Os2A 114.6(15) . . ?
C19A P51A Os2A 117.5(7) . . ?
C3A P51A Os2A 109.8(14) . . ?
C35A P52A C34A 106.7(8) . . ?
C35A P52A C18A 102.4(9) . . ?
C34A P52A C18A 103.4(13) . . ?
C35A P52A Os2A 116.5(7) . . ?
C34A P52A Os2A 111.7(4) . . ?
C18A P52A Os2A 114.8(12) . . ?
O1A C1A Os2A 174.1(12) . . ?
O2A C2A Os2A 170.5(14) . . ?
C4A C3A P51A 115(3) . . ?
C4A C3A H3AA 115.4 . . ?
P51A C3A H3AA 113.0 . . ?
C4A C3A H3AB 101.6 . . ?
P51A C3A H3AB 103.0 . . ?
H3AA C3A H3AB 107.4 . . ?
C5A C4A C3A 112.6(8) . . ?
C5A C4A H4AA 109.3 . . ?
C3A C4A H4AA 115.7 . . ?
C5A C4A H4AB 108.9 . . ?
C3A C4A H4AB 102.0 . . ?
H4AA C4A H4AB 107.8 . . ?
C4A C5A C6A 114.2(7) . . ?
C4A C5A H5AA 108.9 . . ?
C6A C5A H5AA 108.2 . . ?
C4A C5A H5AB 108.5 . . ?
C6A C5A H5AB 109.2 . . ?
H5AA C5A H5AB 107.6 . . ?
C7A C6A C5A 113.9(7) . . ?
C7A C6A H6AA 108.9 . . ?
C5A C6A H6AA 109.3 . . ?
C7A C6A H6AB 108.6 . . ?
C5A C6A H6AB 108.3 . . ?
H6AA C6A H6AB 107.7 . . ?
C8A C7A C6A 114.9(7) . . ?
C8A C7A H7AA 108.6 . . ?
C6A C7A H7AA 108.6 . . ?
C8A C7A H7AB 108.6 . . ?
C6A C7A H7AB 108.4 . . ?
H7AA C7A H7AB 107.5 . . ?
C7A C8A C9A 115.8(8) . . ?
C7A C8A H8AA 108.2 . . ?
C9A C8A H8AA 108.4 . . ?
C7A C8A H8AB 108.4 . . ?
C9A C8A H8AB 108.4 . . ?
H8AA C8A H8AB 107.4 . . ?
C10A C9A C8A 116.5(8) . . ?
C10A C9A H9AA 108.1 . . ?
C8A C9A H9AA 108.2 . . ?
C10A C9A H9AB 108.2 . . ?
C8A C9A H9AB 108.1 . . ?
H9AA C9A H9AB 107.3 . . ?
C9A C10A C11A 114.0(8) . . ?
C9A C10A H10C 108.8 . . ?
C11A C10A H10C 108.8 . . ?
C9A C10A H10D 108.7 . . ?
C11A C10A H10D 108.7 . . ?
H10C C10A H10D 107.7 . . ?
C10A C11A C12A 111.8(8) . . ?
C10A C11A H11C 109.3 . . ?
C12A C11A H11C 109.2 . . ?
C10A C11A H11D 109.2 . . ?
C12A C11A H11D 109.3 . . ?
H11C C11A H11D 107.9 . . ?
C13A C12A C11A 116.8(8) . . ?
C13A C12A H12C 108.1 . . ?
C11A C12A H12C 108.1 . . ?
C13A C12A H12D 108.1 . . ?
C11A C12A H12D 108.1 . . ?
H12C C12A H12D 107.3 . . ?
C14A C13A C12A 117.8(8) . . ?
C14A C13A H13C 107.9 . . ?
C12A C13A H13C 107.9 . . ?
C14A C13A H13D 107.9 . . ?
C12A C13A H13D 107.8 . . ?
H13C C13A H13D 107.2 . . ?
C13A C14A C15A 117.2(8) . . ?
C13A C14A H14C 108.0 . . ?
C15A C14A H14C 108.0 . . ?
C13A C14A H14D 108.0 . . ?
C15A C14A H14D 108.0 . . ?
H14C C14A H14D 107.2 . . ?
C14A C15A C16A 115.7(7) . . ?
C14A C15A H15C 108.4 . . ?
C16A C15A H15C 108.4 . . ?
C14A C15A H15D 108.4 . . ?
C16A C15A H15D 108.3 . . ?
H15C C15A H15D 107.4 . . ?
C15A C16A C17A 114.9(7) . . ?
C15A C16A H16C 108.5 . . ?
C17A C16A H16C 108.5 . . ?
C15A C16A H16D 108.5 . . ?
C17A C16A H16D 108.5 . . ?
H16C C16A H16D 107.5 . . ?
C16A C17A C18A 113.9(7) . . ?
C16A C17A H17C 108.8 . . ?
C18A C17A H17C 109.0 . . ?
C16A C17A H17D 108.8 . . ?
C18A C17A H17D 108.6 . . ?
H17C C17A H17D 107.7 . . ?
C17A C18A P52A 110.5(15) . . ?
C17A C18A H18C 109.7 . . ?
P52A C18A H18C 109.7 . . ?
C17A C18A H18D 109.4 . . ?
P52A C18A H18D 109.4 . . ?
H18C C18A H18D 108.1 . . ?
C20A C19A P51A 119.9(13) . . ?
C20A C19A H19C 107.3 . . ?
P51A C19A H19C 107.4 . . ?
C20A C19A H19D 107.4 . . ?
P51A C19A H19D 107.4 . . ?
H19C C19A H19D 106.9 . . ?
C21A C20A C19A 114.0(7) . . ?
C21A C20A H20C 108.7 . . ?
C19A C20A H20C 108.7 . . ?
C21A C20A H20D 108.8 . . ?
C19A C20A H20D 108.8 . . ?
H20C C20A H20D 107.6 . . ?
C20A C21A C22A 114.2(7) . . ?
C20A C21A H21C 108.7 . . ?
C22A C21A H21C 108.7 . . ?
C20A C21A H21D 108.7 . . ?
C22A C21A H21D 108.7 . . ?
H21C C21A H21D 107.6 . . ?
C23A C22A C21A 113.8(7) . . ?
C23A C22A H22C 108.8 . . ?
C21A C22A H22C 108.8 . . ?
C23A C22A H22D 108.8 . . ?
C21A C22A H22D 108.8 . . ?
H22C C22A H22D 107.7 . . ?
C24A C23A C22A 115.7(7) . . ?
C24A C23A H23C 108.3 . . ?
C22A C23A H23C 108.4 . . ?
C24A C23A H23D 108.4 . . ?
C22A C23A H23D 108.4 . . ?
H23C C23A H23D 107.4 . . ?
C23A C24A C25A 115.9(8) . . ?
C23A C24A H24C 108.3 . . ?
C25A C24A H24C 108.3 . . ?
C23A C24A H24D 108.3 . . ?
C25A C24A H24D 108.3 . . ?
H24C C24A H24D 107.4 . . ?
C26A C25A C24A 117.1(8) . . ?
C26A C25A H25C 108.0 . . ?
C24A C25A H25C 108.0 . . ?
C26A C25A H25D 108.0 . . ?
C24A C25A H25D 108.0 . . ?
H25C C25A H25D 107.3 . . ?
C25A C26A C27A 112.4(8) . . ?
C25A C26A H26C 109.1 . . ?
C27A C26A H26C 109.1 . . ?
C25A C26A H26D 109.1 . . ?
C27A C26A H26D 109.1 . . ?
H26C C26A H26D 107.9 . . ?
C28A C27A C26A 113.7(8) . . ?
C28A C27A H27C 108.8 . . ?
C26A C27A H27C 108.8 . . ?
C28A C27A H27D 108.8 . . ?
C26A C27A H27D 108.8 . . ?
H27C C27A H27D 107.7 . . ?
C29A C28A C27A 114.5(7) . . ?
C29A C28A H28C 108.6 . . ?
C27A C28A H28C 108.6 . . ?
C29A C28A H28D 108.6 . . ?
C27A C28A H28D 108.7 . . ?
H28C C28A H28D 107.6 . . ?
C30A C29A C28A 116.3(8) . . ?
C30A C29A H29C 108.2 . . ?
C28A C29A H29C 108.2 . . ?
C30A C29A H29D 108.2 . . ?
C28A C29A H29D 108.2 . . ?
H29C C29A H29D 107.4 . . ?
C29A C30A C31A 115.0(7) . . ?
C29A C30A H30C 108.5 . . ?
C31A C30A H30C 108.5 . . ?
C29A C30A H30D 108.5 . . ?
C31A C30A H30D 108.5 . . ?
H30C C30A H30D 107.5 . . ?
C30A C31A C32A 115.1(7) . . ?
C30A C31A H31C 108.5 . . ?
C32A C31A H31C 108.5 . . ?
C30A C31A H31D 108.5 . . ?
C32A C31A H31D 108.5 . . ?
H31C C31A H31D 107.5 . . ?
C31A C32A C33A 114.6(7) . . ?
C31A C32A H32C 108.6 . . ?
C33A C32A H32C 108.6 . . ?
C31A C32A H32D 108.6 . . ?
C33A C32A H32D 108.6 . . ?
H32C C32A H32D 107.6 . . ?
C32A C33A C34A 112.8(6) . . ?
C32A C33A H33C 109.0 . . ?
C34A C33A H33C 109.0 . . ?
C32A C33A H33D 109.0 . . ?
C34A C33A H33D 109.0 . . ?
H33C C33A H33D 107.8 . . ?
C33A C34A P52A 116.2(9) . . ?
C33A C34A H34C 108.2 . . ?
P52A C34A H34C 108.2 . . ?
C33A C34A H34D 108.2 . . ?
P52A C34A H34D 108.2 . . ?
H34C C34A H34D 107.4 . . ?
C36A C35A P52A 114.7(11) . . ?
C36A C35A H35C 108.6 . . ?
P52A C35A H35C 108.6 . . ?
C36A C35A H35D 108.6 . . ?
P52A C35A H35D 108.6 . . ?
H35C C35A H35D 107.6 . . ?
C37A C36A C35A 113.5(7) . . ?
C37A C36A H36C 108.9 . . ?
C35A C36A H36C 108.9 . . ?
C37A C36A H36D 108.9 . . ?
C35A C36A H36D 108.9 . . ?
H36C C36A H36D 107.7 . . ?
C36A C37A C38A 113.9(7) . . ?
C36A C37A H37C 108.8 . . ?
C38A C37A H37C 108.8 . . ?
C36A C37A H37D 108.8 . . ?
C38A C37A H37D 108.8 . . ?
H37C C37A H37D 107.7 . . ?
C39A C38A C37A 113.8(7) . . ?
C39A C38A H38C 108.8 . . ?
C37A C38A H38C 108.8 . . ?
C39A C38A H38D 108.8 . . ?
C37A C38A H38D 108.8 . . ?
H38C C38A H38D 107.7 . . ?
C40A C39A C38A 114.4(7) . . ?
C40A C39A H39C 108.7 . . ?
C38A C39A H39C 108.6 . . ?
C40A C39A H39D 108.6 . . ?
C38A C39A H39D 108.7 . . ?
H39C C39A H39D 107.6 . . ?
C39A C40A C41A 115.4(8) . . ?
C39A C40A H40C 108.4 . . ?
C41A C40A H40C 108.4 . . ?
C39A C40A H40D 108.4 . . ?
C41A C40A H40D 108.4 . . ?
H40C C40A H40D 107.5 . . ?
C42A C41A C40A 116.3(9) . . ?
C42A C41A H41C 108.2 . . ?
C40A C41A H41C 108.2 . . ?
C42A C41A H41D 108.2 . . ?
C40A C41A H41D 108.2 . . ?
H41C C41A H41D 107.4 . . ?
C41A C42A C43A 113.1(8) . . ?
C41A C42A H42C 109.0 . . ?
C43A C42A H42C 109.0 . . ?
C41A C42A H42D 108.9 . . ?
C43A C42A H42D 109.0 . . ?
H42C C42A H42D 107.8 . . ?
C44A C43A C42A 112.3(8) . . ?
C44A C43A H43C 109.1 . . ?
C42A C43A H43C 109.1 . . ?
C44A C43A H43D 109.1 . . ?
C42A C43A H43D 109.1 . . ?
H43C C43A H43D 107.9 . . ?
C45A C44A C43A 114.8(8) . . ?
C45A C44A H44C 108.5 . . ?
C43A C44A H44C 108.6 . . ?
C45A C44A H44D 108.6 . . ?
C43A C44A H44D 108.6 . . ?
H44C C44A H44D 107.5 . . ?
C46A C45A C44A 116.9(8) . . ?
C46A C45A H45C 108.1 . . ?
C44A C45A H45C 108.1 . . ?
C46A C45A H45D 108.1 . . ?
C44A C45A H45D 108.1 . . ?
H45C C45A H45D 107.3 . . ?
C45A C46A C47A 115.0(8) . . ?
C45A C46A H46C 108.5 . . ?
C47A C46A H46C 108.5 . . ?
C45A C46A H46D 108.5 . . ?
C47A C46A H46D 108.5 . . ?
H46C C46A H46D 107.5 . . ?
C46A C47A C48A 114.8(7) . . ?
C46A C47A H47C 108.6 . . ?
C48A C47A H47C 108.5 . . ?
C46A C47A H47D 108.6 . . ?
C48A C47A H47D 108.6 . . ?
H47C C47A H47D 107.5 . . ?
C47A C48A C49A 114.4(7) . . ?
C47A C48A H48C 108.6 . . ?
C49A C48A H48C 108.6 . . ?
C47A C48A H48D 108.7 . . ?
C49A C48A H48D 108.7 . . ?
H48C C48A H48D 107.6 . . ?
C48A C49A C50A 112.7(7) . . ?
C48A C49A H49C 109.8 . . ?
C50A C49A H49C 111.1 . . ?
C48A C49A H49D 106.9 . . ?
C50A C49A H49D 108.5 . . ?
H49C C49A H49D 107.8 . . ?
C49A C50A P51A 107.8(16) . . ?
C49A C50A H50C 110.6 . . ?
P51A C50A H50C 116.8 . . ?
C49A C50A H50D 108.4 . . ?
P51A C50A H50D 105.3 . . ?
H50C C50A H50D 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Os1 P1 C35 -37.3(3) . . . . ?
C2 Os1 P1 C35 -129.4(3) . . . . ?
P2 Os1 P1 C35 111.7(14) . . . . ?
Cl2 Os1 P1 C35 142.7(3) . . . . ?
Cl1 Os1 P1 C35 52.4(3) . . . . ?
C1 Os1 P1 C19 82.9(3) . . . . ?
C2 Os1 P1 C19 -9.2(3) . . . . ?
P2 Os1 P1 C19 -128.1(14) . . . . ?
Cl2 Os1 P1 C19 -97.1(3) . . . . ?
Cl1 Os1 P1 C19 172.7(3) . . . . ?
C1 Os1 P1 C3 -159.6(3) . . . . ?
C2 Os1 P1 C3 108.2(3) . . . . ?
P2 Os1 P1 C3 -10.6(15) . . . . ?
Cl2 Os1 P1 C3 20.3(3) . . . . ?
Cl1 Os1 P1 C3 -69.9(3) . . . . ?
C1 Os1 P2 C50 -10.5(4) . . . . ?
C2 Os1 P2 C50 81.6(4) . . . . ?
P1 Os1 P2 C50 -159.4(14) . . . . ?
Cl2 Os1 P2 C50 169.6(4) . . . . ?
Cl1 Os1 P2 C50 -100.1(4) . . . . ?
C1 Os1 P2 C34 -129.7(4) . . . . ?
C2 Os1 P2 C34 -37.6(4) . . . . ?
P1 Os1 P2 C34 81.4(15) . . . . ?
Cl2 Os1 P2 C34 50.4(4) . . . . ?
Cl1 Os1 P2 C34 140.7(4) . . . . ?
C1 Os1 P2 C18 108.8(3) . . . . ?
C2 Os1 P2 C18 -159.2(3) . . . . ?
P1 Os1 P2 C18 -40.2(15) . . . . ?
Cl2 Os1 P2 C18 -71.2(3) . . . . ?
Cl1 Os1 P2 C18 19.1(3) . . . . ?
C2 Os1 C1 O1 -175.46(18) . . . . ?
P1 Os1 C1 O1 92.2(2) . . . . ?
P2 Os1 C1 O1 -86.3(2) . . . . ?
Cl2 Os1 C1 O1 91.5(15) . . . . ?
Cl1 Os1 C1 O1 2.6(2) . . . . ?
C1 Os1 C2 O2 139.1(3) . . . . ?
P1 Os1 C2 O2 -131.3(3) . . . . ?
P2 Os1 C2 O2 46.0(4) . . . . ?
Cl2 Os1 C2 O2 -43.1(4) . . . . ?
Cl1 Os1 C2 O2 5.5(15) . . . . ?
C35 P1 C3 C4 -60.0(7) . . . . ?
C19 P1 C3 C4 -170.7(6) . . . . ?
Os1 P1 C3 C4 65.4(6) . . . . ?
P1 C3 C4 C5 -172.7(6) . . . . ?
C3 C4 C5 C6 177.0(8) . . . . ?
C4 C5 C6 C7 -174.3(8) . . . . ?
C5 C6 C7 C8 -179.7(8) . . . . ?
C6 C7 C8 C9 -52.1(12) . . . . ?
C7 C8 C9 C10 -62.7(12) . . . . ?
C8 C9 C10 C11 173.3(9) . . . . ?
C9 C10 C11 C12 -179.3(10) . . . . ?
C10 C11 C12 C13 177.1(9) . . . . ?
C11 C12 C13 C14 -58.0(12) . . . . ?
C12 C13 C14 C15 -55.6(13) . . . . ?
C13 C14 C15 C16 178.4(9) . . . . ?
C14 C15 C16 C17 -176.8(10) . . . . ?
C15 C16 C17 C18 179.8(9) . . . . ?
C16 C17 C18 P2 -168.1(8) . . . . ?
C50 P2 C18 C17 -166.3(8) . . . . ?
C34 P2 C18 C17 -56.3(8) . . . . ?
Os1 P2 C18 C17 68.5(8) . . . . ?
C35 P1 C19 C20 58.4(8) . . . . ?
C3 P1 C19 C20 169.1(7) . . . . ?
Os1 P1 C19 C20 -65.1(7) . . . . ?
P1 C19 C20 C21 169.9(7) . . . . ?
C19 C20 C21 C22 -177.2(8) . . . . ?
C20 C21 C22 C23 63.2(12) . . . . ?
C21 C22 C23 C24 61.3(13) . . . . ?
C22 C23 C24 C25 -176.7(9) . . . . ?
C23 C24 C25 C26 173.0(11) . . . . ?
C24 C25 C26 C27 -171.3(10) . . . . ?
C25 C26 C27 C28 179.6(10) . . . . ?
C26 C27 C28 C29 -69.0(14) . . . . ?
C27 C28 C29 C30 -69.2(13) . . . . ?
C28 C29 C30 C31 178.3(9) . . . . ?
C29 C30 C31 C32 179.1(8) . . . . ?
C30 C31 C32 C33 57.1(12) . . . . ?
C31 C32 C33 C34 51.5(13) . . . . ?
C32 C33 C34 P2 174.7(8) . . . . ?
C50 P2 C34 C33 49.9(10) . . . . ?
C18 P2 C34 C33 -58.1(10) . . . . ?
Os1 P2 C34 C33 174.1(7) . . . . ?
C19 P1 C35 C36 52.9(8) . . . . ?
C3 P1 C35 C36 -54.6(8) . . . . ?
Os1 P1 C35 C36 177.3(6) . . . . ?
P1 C35 C36 C37 174.0(6) . . . . ?
C35 C36 C37 C38 57.8(11) . . . . ?
C36 C37 C38 C39 61.1(12) . . . . ?
C37 C38 C39 C40 -176.8(9) . . . . ?
C38 C39 C40 C41 126.7(14) . . . . ?
C39 C40 C41 C42 -143.9(14) . . . . ?
C40 C41 C42 C43 133.4(18) . . . . ?
C41 C42 C43 C44 -127.3(18) . . . . ?
C42 C43 C44 C45 -156.5(14) . . . . ?
C43 C44 C45 C46 -57(2) . . . . ?
C44 C45 C46 C47 -151.9(13) . . . . ?
C45 C46 C47 C48 84.6(17) . . . . ?
C46 C47 C48 C49 69.2(15) . . . . ?
C47 C48 C49 C50 -163.4(10) . . . . ?
C48 C49 C50 P2 172.9(9) . . . . ?
C34 P2 C50 C49 61.4(9) . . . . ?
C18 P2 C50 C49 171.5(8) . . . . ?
Os1 P2 C50 C49 -61.6(9) . . . . ?
C51 Os2 P51 C53 46.9(13) . . . . ?
C52 Os2 P51 C53 138.7(13) . . . . ?
P52 Os2 P51 C53 -62(2) . . . . ?
Cl52 Os2 P51 C53 -133.6(13) . . . . ?
Cl51 Os2 P51 C53 -43.7(13) . . . . ?
C51 Os2 P51 C100 -75.6(10) . . . . ?
C52 Os2 P51 C100 16.3(10) . . . . ?
P52 Os2 P51 C100 175.2(18) . . . . ?
Cl52 Os2 P51 C100 104.0(10) . . . . ?
Cl51 Os2 P51 C100 -166.2(10) . . . . ?
C51 Os2 P51 C69 168.0(7) . . . . ?
C52 Os2 P51 C69 -100.2(7) . . . . ?
P52 Os2 P51 C69 58.8(19) . . . . ?
Cl52 Os2 P51 C69 -12.5(6) . . . . ?
Cl51 Os2 P51 C69 77.4(6) . . . . ?
C51 Os2 P52 C85 96.1(7) . . . . ?
C52 Os2 P52 C85 4.2(7) . . . . ?
P51 Os2 P52 C85 -154.8(17) . . . . ?
Cl52 Os2 P52 C85 -83.4(6) . . . . ?
Cl51 Os2 P52 C85 -173.4(6) . . . . ?
C51 Os2 P52 C68 -20.3(6) . . . . ?
C52 Os2 P52 C68 -112.2(6) . . . . ?
P51 Os2 P52 C68 88.8(18) . . . . ?
Cl52 Os2 P52 C68 160.1(5) . . . . ?
Cl51 Os2 P52 C68 70.2(5) . . . . ?
C51 Os2 P52 C84 -142.8(7) . . . . ?
C52 Os2 P52 C84 125.3(7) . . . . ?
P51 Os2 P52 C84 -34(2) . . . . ?
Cl52 Os2 P52 C84 37.7(6) . . . . ?
Cl51 Os2 P52 C84 -52.3(6) . . . . ?
C52 Os2 C51 O51 54(13) . . . . ?
P51 Os2 C51 O51 148(13) . . . . ?
P52 Os2 C51 O51 -38(13) . . . . ?
Cl52 Os2 C51 O51 49(40) . . . . ?
Cl51 Os2 C51 O51 -125(13) . . . . ?
C51 Os2 C52 O52 107(8) . . . . ?
P51 Os2 C52 O52 16(8) . . . . ?
P52 Os2 C52 O52 -161(8) . . . . ?
Cl52 Os2 C52 O52 -73(8) . . . . ?
Cl51 Os2 C52 O52 -106(9) . . . . ?
C100 P51 C53 C54 -57(3) . . . . ?
C69 P51 C53 C54 50(3) . . . . ?
Os2 P51 C53 C54 175.5(19) . . . . ?
P51 C53 C54 C55 -153.0(16) . . . . ?
C53 C54 C55 C56 75(3) . . . . ?
C54 C55 C56 C57 -161.1(16) . . . . ?
C55 C56 C57 C58 148.6(16) . . . . ?
C56 C57 C58 C59 -69(3) . . . . ?
C57 C58 C59 C60 -180(2) . . . . ?
C58 C59 C60 C61 180(2) . . . . ?
C59 C60 C61 C62 -79(3) . . . . ?
C60 C61 C62 C63 -162.7(17) . . . . ?
C61 C62 C63 C64 -56(3) . . . . ?
C62 C63 C64 C65 -74(3) . . . . ?
C63 C64 C65 C66 154.6(18) . . . . ?
C64 C65 C66 C67 -159.0(18) . . . . ?
C65 C66 C67 C68 -176.8(17) . . . . ?
C66 C67 C68 P52 -68(2) . . . . ?
C85 P52 C68 C67 177.6(14) . . . . ?
C84 P52 C68 C67 68.8(16) . . . . ?
Os2 P52 C68 C67 -57.9(15) . . . . ?
C53 P51 C69 C70 58.3(17) . . . . ?
C100 P51 C69 C70 168.3(15) . . . . ?
Os2 P51 C69 C70 -67.3(14) . . . . ?
P51 C69 C70 C71 172.5(13) . . . . ?
C69 C70 C71 C72 -179.6(13) . . . . ?
C70 C71 C72 C73 66(2) . . . . ?
C71 C72 C73 C74 176.2(16) . . . . ?
C72 C73 C74 C75 -169.9(17) . . . . ?
C73 C74 C75 C76 -62(3) . . . . ?
C74 C75 C76 C77 166.2(19) . . . . ?
C75 C76 C77 C78 180(2) . . . . ?
C76 C77 C78 C79 166(2) . . . . ?
C77 C78 C79 C80 -55(3) . . . . ?
C78 C79 C80 C81 -59(3) . . . . ?
C79 C80 C81 C82 -44(3) . . . . ?
C80 C81 C82 C83 177.6(15) . . . . ?
C81 C82 C83 C84 -62(2) . . . . ?
C82 C83 C84 P52 -164.9(10) . . . . ?
C85 P52 C84 C83 -48.2(14) . . . . ?
C68 P52 C84 C83 59.0(14) . . . . ?
Os2 P52 C84 C83 -175.5(11) . . . . ?
C68 P52 C85 C86 -170.2(13) . . . . ?
C84 P52 C85 C86 -59.3(14) . . . . ?
Os2 P52 C85 C86 67.3(14) . . . . ?
P52 C85 C86 C87 161.5(11) . . . . ?
C85 C86 C87 C88 52.5(18) . . . . ?
C86 C87 C88 C89 66(2) . . . . ?
C87 C88 C89 C90 -175.0(16) . . . . ?
C88 C89 C90 C91 168.9(16) . . . . ?
C89 C90 C91 C92 -70(2) . . . . ?
C90 C91 C92 C93 -150(2) . . . . ?
C91 C92 C93 C94 -162.6(19) . . . . ?
C92 C93 C94 C95 -44(3) . . . . ?
C93 C94 C95 C96 -158.6(19) . . . . ?
C94 C95 C96 C97 -75(3) . . . . ?
C95 C96 C97 C98 -44(2) . . . . ?
C96 C97 C98 C99 -74(2) . . . . ?
C97 C98 C99 C100 -171.8(16) . . . . ?
C98 C99 C100 P51 -160.4(17) . . . . ?
C53 P51 C100 C99 -57(2) . . . . ?
C69 P51 C100 C99 -166.8(16) . . . . ?
Os2 P51 C100 C99 69.6(19) . . . . ?
C1A Os2A P51A C50A -98.7(10) . . . . ?
C2A Os2A P51A C50A -8.2(10) . . . . ?
P52A Os2A P51A C50A 156.3(18) . . . . ?
Cl54 Os2A P51A C50A 78.9(9) . . . . ?
Cl53 Os2A P51A C50A 170.8(9) . . . . ?
C1A Os2A P51A C19A 157.4(7) . . . . ?
C2A Os2A P51A C19A -112.1(7) . . . . ?
P52A Os2A P51A C19A 52.4(19) . . . . ?
Cl54 Os2A P51A C19A -25.0(6) . . . . ?
Cl53 Os2A P51A C19A 67.0(6) . . . . ?
C1A Os2A P51A C3A 34(2) . . . . ?
C2A Os2A P51A C3A 124(2) . . . . ?
P52A Os2A P51A C3A -71(3) . . . . ?
Cl54 Os2A P51A C3A -149(2) . . . . ?
Cl53 Os2A P51A C3A -57(2) . . . . ?
C1A Os2A P52A C35A 106.8(7) . . . . ?
C2A Os2A P52A C35A 16.3(7) . . . . ?
P51A Os2A P52A C35A -148.3(17) . . . . ?
Cl54 Os2A P52A C35A -70.8(6) . . . . ?
Cl53 Os2A P52A C35A -162.8(6) . . . . ?
C1A Os2A P52A C34A -130.3(7) . . . . ?
C2A Os2A P52A C34A 139.2(7) . . . . ?
P51A Os2A P52A C34A -25(2) . . . . ?
Cl54 Os2A P52A C34A 52.1(6) . . . . ?
Cl53 Os2A P52A C34A -39.9(6) . . . . ?
C1A Os2A P52A C18A -12.9(10) . . . . ?
C2A Os2A P52A C18A -103.4(10) . . . . ?
P51A Os2A P52A C18A 92(2) . . . . ?
Cl54 Os2A P52A C18A 169.5(9) . . . . ?
Cl53 Os2A P52A C18A 77.5(9) . . . . ?
C2A Os2A C1A O1A 142(12) . . . . ?
P51A Os2A C1A O1A -124(12) . . . . ?
P52A Os2A C1A O1A 50(12) . . . . ?
Cl54 Os2A C1A O1A 145(11) . . . . ?
Cl53 Os2A C1A O1A -37(12) . . . . ?
C1A Os2A C2A O2A -15(7) . . . . ?
P51A Os2A C2A O2A -104(7) . . . . ?
P52A Os2A C2A O2A 77(7) . . . . ?
Cl54 Os2A C2A O2A 166(7) . . . . ?
Cl53 Os2A C2A O2A 116(14) . . . . ?
C50A P51A C3A C4A -56(5) . . . . ?
C19A P51A C3A C4A 43(5) . . . . ?
Os2A P51A C3A C4A 172(4) . . . . ?
P51A C3A C4A C5A -169(2) . . . . ?
C3A C4A C5A C6A 56(5) . . . . ?
C4A C5A C6A C7A 170(3) . . . . ?
C5A C6A C7A C8A -158(4) . . . . ?
C6A C7A C8A C9A -38(4) . . . . ?
C7A C8A C9A C10A -59(5) . . . . ?
C8A C9A C10A C11A 175(3) . . . . ?
C9A C10A C11A C12A -176(3) . . . . ?
C10A C11A C12A C13A 175(3) . . . . ?
C11A C12A C13A C14A -161(2) . . . . ?
C12A C13A C14A C15A 46(3) . . . . ?
C13A C14A C15A C16A 116.5(19) . . . . ?
C14A C15A C16A C17A -81(2) . . . . ?
C15A C16A C17A C18A -162(2) . . . . ?
C16A C17A C18A P52A 174.2(18) . . . . ?
C35A P52A C18A C17A 169(2) . . . . ?
C34A P52A C18A C17A 59(3) . . . . ?
Os2A P52A C18A C17A -63(3) . . . . ?
C50A P51A C19A C20A -162.7(18) . . . . ?
C3A P51A C19A C20A 80(2) . . . . ?
Os2A P51A C19A C20A -44.7(13) . . . . ?
P51A C19A C20A C21A -78(2) . . . . ?
C19A C20A C21A C22A 176(2) . . . . ?
C20A C21A C22A C23A -165(2) . . . . ?
C21A C22A C23A C24A 177(2) . . . . ?
C22A C23A C24A C25A -57(3) . . . . ?
C23A C24A C25A C26A -73(3) . . . . ?
C24A C25A C26A C27A -176(2) . . . . ?
C25A C26A C27A C28A 175(3) . . . . ?
C26A C27A C28A C29A 177(2) . . . . ?
C27A C28A C29A C30A -52(3) . . . . ?
C28A C29A C30A C31A -60(2) . . . . ?
C29A C30A C31A C32A 177.4(15) . . . . ?
C30A C31A C32A C33A -175.9(15) . . . . ?
C31A C32A C33A C34A 70.9(18) . . . . ?
C32A C33A C34A P52A -159.8(9) . . . . ?
C35A P52A C34A C33A -55.3(14) . . . . ?
C18A P52A C34A C33A 52.3(16) . . . . ?
Os2A P52A C34A C33A 176.3(10) . . . . ?
C34A P52A C35A C36A -61.9(15) . . . . ?
C18A P52A C35A C36A -170.1(18) . . . . ?
Os2A P52A C35A C36A 63.7(15) . . . . ?
P52A C35A C36A C37A 172.6(12) . . . . ?
C35A C36A C37A C38A 83.5(18) . . . . ?
C36A C37A C38A C39A 79(3) . . . . ?
C37A C38A C39A C40A 167(2) . . . . ?
C38A C39A C40A C41A 120(3) . . . . ?
C39A C40A C41A C42A -74(3) . . . . ?
C40A C41A C42A C43A -127(3) . . . . ?
C41A C42A C43A C44A -154(2) . . . . ?
C42A C43A C44A C45A 88(4) . . . . ?
C43A C44A C45A C46A -166.9(19) . . . . ?
C44A C45A C46A C47A 69(4) . . . . ?
C45A C46A C47A C48A 71(3) . . . . ?
C46A C47A C48A C49A -178(3) . . . . ?
C47A C48A C49A C50A 167(3) . . . . ?
C48A C49A C50A P51A -168(3) . . . . ?
C19A P51A C50A C49A -165(3) . . . . ?
C3A P51A C50A C49A -55(4) . . . . ?
Os2A P51A C50A C49A 75(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        60.00
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         2.007
_refine_diff_density_min         -1.736
_refine_diff_density_rms         0.118

# start Validation Reply Form
_vrf_SHFSU01_jgb                 
;
PROBLEM: The absolute value of parameter shift to su ratio > 0.20
RESPONSE: The structure has two molecules in the asymmetric uint:
One of them placed nicely, and the second one has a whole molecule
disorder. The latter is clearly seen with elongated thermal ellipsoids
for even the heavier atoms; OS, Cl, and P. The modelling of the  
disorder goes well for the heavier atoms, but large number of lighter
carbon and the oxygen atoms could be only done with a large number
of restraints. After modelling, the thermal ellipsoids of the lighter
atoms were elongated suggesting further disorder of these long
chains. However modeling further disorder would increase significantly,
the number of refined parameter along with the restraints. This fact 
could explain al the following cif-check errors.
;
_vrf_PLAT080_jgb                 
;
PROBLEM: Maximum Shift/Error ............................       2.79      
RESPONSE: see above
;
_vrf_PLAT213_jgb                 
;
PROBLEM: Atom C1A             has ADP max/min Ratio .....       9.60 prola
RESPONSE: see above
;
_vrf_PLAT220_jgb                 
;
PROBLEM: Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       6.49 Ratio
RESPONSE: see above
;
_vrf_PLAT222_jgb                 
;
PROBLEM: Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       6.09 Ratio
RESPONSE: see above
;
_vrf_PLAT241_jgb                 
;
PROBLEM: Check High      Ueq as Compared to Neighbors for        C41     
RESPONSE: see above
;
_vrf_PLAT242_jgb                 
;
PROBLEM: Check Low       Ueq as Compared to Neighbors for        C46     
RESPONSE: see above
;
_vrf_PLAT411_jgb                 
;
PROBLEM: Short Inter H...H Contact  H44A   ..  H45D    ..       1.68 Ang. 
RESPONSE: see above
;
_vrf_PLAT432_jgb                 
;
PROBLEM: Short Inter X...Y Contact  C87    ..  C87     ..       2.34 Ang. 
RESPONSE: see above
;
_vrf_PLAT770_jgb                 
;
PROBLEM: Suspect C-H Bond in CIF:   C99    --  H50C    ..       1.66 Ang. 
RESPONSE: see above
;
_vrf_PLAT234_jgb                 
;
PROBLEM: Large Hirshfeld Difference C42    --  C43     ..       0.31 Ang. 
RESPONSE: see above
;
_vrf_PLAT722_jgb                 
;
PROBLEM: Angle   Calc      109.00, Rep      105.90 Dev...       3.10 Deg. 
RESPONSE: see above
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: C6D6 and MeOH'
####################################################################### 
# 
# 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_jgb0211
_database_code_depnum_ccdc_archive 'CCDC 1446696'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H108 Cl2 O2 Os P2'
_chemical_formula_weight         1136.46

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'
O O 0.0106 0.0060 '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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.6538(15)
_cell_length_b                   15.7020(16)
_cell_length_c                   26.920(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2720(10)
_cell_angle_gamma                90.00
_cell_volume                     5975.4(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9958
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      28.26

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2400
_exptl_absorpt_coefficient_mu    2.313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4581
_exptl_absorpt_correction_T_max  0.8931
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            67050
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         27.50
_reflns_number_total             13559
_reflns_number_gt                10917
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX-II (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  APEX-II(BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        APEX-II
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0342P)²+0.7025P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13559
_refine_ls_number_parameters     578
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0288
_refine_ls_wR_factor_ref         0.0680
_refine_ls_wR_factor_gt          0.0637
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.262233(7) 0.555912(6) 0.473075(4) 0.01929(4) Uani 1 1 d D . .
Cl1 Cl 0.34270(7) 0.42342(6) 0.50386(4) 0.0282(3) Uani 0.798(3) 1 d PD A 1
C2 C 0.1977(3) 0.6568(2) 0.44653(15) 0.0214(8) Uani 0.798(3) 1 d PD A 1
O2 O 0.15854(19) 0.71605(18) 0.42866(11) 0.0315(7) Uani 0.798(3) 1 d PD A 1
Cl1A Cl 0.1815(5) 0.6869(3) 0.4416(2) 0.0282(3) Uani 0.202(3) 1 d PD A 2
C2A C 0.3232(12) 0.4514(6) 0.4959(7) 0.0214(8) Uani 0.202(3) 1 d PD A 2
O2A O 0.3609(8) 0.3884(5) 0.5074(5) 0.0315(7) Uani 0.202(3) 1 d PD A 2
Cl2 Cl 0.11991(5) 0.47778(4) 0.42897(2) 0.02583(14) Uani 1 1 d . A .
P1 P 0.19947(5) 0.55355(4) 0.54686(3) 0.02138(14) Uani 1 1 d . A .
P2 P 0.31510(5) 0.54757(4) 0.39615(3) 0.02213(14) Uani 1 1 d . A .
C1 C 0.3700(2) 0.61700(18) 0.50890(10) 0.0258(6) Uani 1 1 d . A .
O1 O 0.43345(14) 0.65387(13) 0.53079(8) 0.0379(5) Uani 1 1 d . . .
C3 C 0.10165(18) 0.62807(18) 0.54156(10) 0.0258(6) Uani 1 1 d . . .
H3A H 0.0574 0.6224 0.5069 0.031 Uiso 1 1 calc R A .
H3B H 0.0669 0.6123 0.5672 0.031 Uiso 1 1 calc R . .
C4 C 0.13244(19) 0.72065(18) 0.55001(11) 0.0311(7) Uani 1 1 d . A .
H4A H 0.1618 0.7299 0.5872 0.037 Uiso 1 1 calc R . .
H4B H 0.1811 0.7322 0.5314 0.037 Uiso 1 1 calc R . .
C5 C 0.0515(2) 0.7831(2) 0.53188(13) 0.0419(8) Uani 1 1 d . . .
H5A H 0.0062 0.7754 0.5531 0.050 Uiso 1 1 calc R A .
H5B H 0.0178 0.7695 0.4958 0.050 Uiso 1 1 calc R . .
C6 C 0.0823(3) 0.8761(2) 0.53477(14) 0.0562(11) Uani 1 1 d . A .
H6A H 0.0253 0.9124 0.5296 0.067 Uiso 1 1 calc R . .
H6B H 0.1227 0.8875 0.5698 0.067 Uiso 1 1 calc R . .
C7 C 0.1358(3) 0.9025(2) 0.49611(14) 0.0531(10) Uani 1 1 d . . .
H7A H 0.1860 0.8599 0.4969 0.064 Uiso 1 1 calc R A .
H7B H 0.1673 0.9576 0.5073 0.064 Uiso 1 1 calc R . .
C8 C 0.0764(2) 0.9116(2) 0.44083(14) 0.0479(9) Uani 1 1 d . A .
H8A H 0.0293 0.9575 0.4392 0.057 Uiso 1 1 calc R . .
H8B H 0.0413 0.8579 0.4301 0.057 Uiso 1 1 calc R . .
C9 C 0.1347(3) 0.9320(2) 0.40322(15) 0.0512(10) Uani 1 1 d . . .
H9A H 0.1755 0.9816 0.4165 0.061 Uiso 1 1 calc R A .
H9B H 0.1767 0.8830 0.4022 0.061 Uiso 1 1 calc R . .
C10 C 0.0783(3) 0.9513(2) 0.34902(16) 0.0541(10) Uani 1 1 d . A .
H10A H 0.0433 1.0052 0.3492 0.065 Uiso 1 1 calc R . .
H10B H 0.0310 0.9055 0.3373 0.065 Uiso 1 1 calc R . .
C11 C 0.1371(3) 0.9594(3) 0.31073(18) 0.0676(12) Uani 1 1 d . . .
H11A H 0.1656 0.9032 0.3075 0.081 Uiso 1 1 calc R A .
H11B H 0.1895 0.9996 0.3249 0.081 Uiso 1 1 calc R . .
C12 C 0.0842(3) 0.9898(3) 0.25688(17) 0.0739(13) Uani 1 1 d . A .
H12A H 0.0631 1.0491 0.2596 0.089 Uiso 1 1 calc R . .
H12B H 0.1292 0.9906 0.2352 0.089 Uiso 1 1 calc R . .
C13 C -0.0011(3) 0.9374(3) 0.22961(16) 0.0646(12) Uani 1 1 d . . .
H13A H -0.0265 0.9613 0.1947 0.077 Uiso 1 1 calc R A .
H13B H -0.0504 0.9447 0.2483 0.077 Uiso 1 1 calc R . .
C14 C 0.0146(3) 0.8422(3) 0.22426(15) 0.0598(11) Uani 1 1 d . A .
H14A H 0.0404 0.8179 0.2591 0.072 Uiso 1 1 calc R . .
H14B H -0.0475 0.8149 0.2092 0.072 Uiso 1 1 calc R . .
C15 C 0.0786(3) 0.8205(3) 0.19236(15) 0.0687(12) Uani 1 1 d . . .
H15A H 0.1390 0.8515 0.2057 0.082 Uiso 1 1 calc R A .
H15B H 0.0502 0.8405 0.1568 0.082 Uiso 1 1 calc R . .
C16 C 0.0993(3) 0.7268(3) 0.19100(13) 0.0601(11) Uani 1 1 d . A .
H16A H 0.1336 0.7162 0.1644 0.072 Uiso 1 1 calc R . .
H16B H 0.0388 0.6952 0.1809 0.072 Uiso 1 1 calc R . .
C17 C 0.1582(3) 0.6927(2) 0.24255(13) 0.0508(9) Uani 1 1 d . . .
H17A H 0.2170 0.7267 0.2537 0.061 Uiso 1 1 calc R A .
H17B H 0.1222 0.7002 0.2686 0.061 Uiso 1 1 calc R . .
C18 C 0.1837(3) 0.6013(2) 0.24071(12) 0.0513(9) Uani 1 1 d . A .
H18A H 0.2091 0.5922 0.2105 0.062 Uiso 1 1 calc R . .
H18B H 0.1254 0.5668 0.2354 0.062 Uiso 1 1 calc R . .
C19 C 0.2554(2) 0.56882(19) 0.28824(11) 0.0370(7) Uani 1 1 d . . .
H19A H 0.3151 0.6010 0.2924 0.044 Uiso 1 1 calc R A .
H19B H 0.2690 0.5083 0.2828 0.044 Uiso 1 1 calc R . .
C20 C 0.2240(2) 0.57630(18) 0.33825(10) 0.0284(6) Uani 1 1 d . A .
H20A H 0.1683 0.5391 0.3355 0.034 Uiso 1 1 calc R . .
H20B H 0.2039 0.6357 0.3418 0.034 Uiso 1 1 calc R . .
C21 C 0.1524(2) 0.45022(17) 0.55780(10) 0.0281(6) Uani 1 1 d . . .
H21A H 0.0948 0.4397 0.5295 0.034 Uiso 1 1 calc R A .
H21B H 0.1994 0.4064 0.5550 0.034 Uiso 1 1 calc R . .
C22 C 0.12702(19) 0.43627(17) 0.60883(10) 0.0263(6) Uani 1 1 d . A .
H22A H 0.1854 0.4364 0.6375 0.032 Uiso 1 1 calc R . .
H22B H 0.0860 0.4833 0.6146 0.032 Uiso 1 1 calc R . .
C23 C 0.07606(19) 0.35228(19) 0.60803(10) 0.0298(6) Uani 1 1 d . . .
H23A H 0.1147 0.3068 0.5982 0.036 Uiso 1 1 calc R A .
H23B H 0.0153 0.3550 0.5811 0.036 Uiso 1 1 calc R . .
C24 C 0.0557(2) 0.3276(2) 0.65923(10) 0.0337(7) Uani 1 1 d . A .
H24A H 0.0171 0.3731 0.6691 0.040 Uiso 1 1 calc R . .
H24B H 0.0174 0.2748 0.6539 0.040 Uiso 1 1 calc R . .
C25 C 0.1433(2) 0.3134(2) 0.70343(11) 0.0403(8) Uani 1 1 d . . .
H25A H 0.1762 0.3687 0.7121 0.048 Uiso 1 1 calc R A .
H25B H 0.1228 0.2946 0.7339 0.048 Uiso 1 1 calc R . .
C26 C 0.2136(2) 0.2489(2) 0.69343(12) 0.0386(8) Uani 1 1 d . A .
H26A H 0.2383 0.2698 0.6648 0.046 Uiso 1 1 calc R . .
H26B H 0.2675 0.2449 0.7245 0.046 Uiso 1 1 calc R . .
C27 C 0.1727(2) 0.1607(2) 0.68002(13) 0.0446(8) Uani 1 1 d . . .
H27A H 0.1203 0.1645 0.6482 0.054 Uiso 1 1 calc R A .
H27B H 0.1455 0.1409 0.7080 0.054 Uiso 1 1 calc R . .
C28 C 0.2437(3) 0.0942(2) 0.67187(14) 0.0546(10) Uani 1 1 d . A .
H28A H 0.2109 0.0387 0.6644 0.066 Uiso 1 1 calc R . .
H28B H 0.2941 0.0879 0.7044 0.066 Uiso 1 1 calc R . .
C29 C 0.2898(2) 0.1147(2) 0.62840(13) 0.0461(9) Uani 1 1 d . . .
H29A H 0.3280 0.1672 0.6376 0.055 Uiso 1 1 calc R A .
H29B H 0.3336 0.0678 0.6259 0.055 Uiso 1 1 calc R . .
C30 C 0.2210(2) 0.1271(2) 0.57609(12) 0.0389(7) Uani 1 1 d . A .
H30A H 0.1801 0.1768 0.5775 0.047 Uiso 1 1 calc R . .
H30B H 0.1799 0.0763 0.5675 0.047 Uiso 1 1 calc R . .
C31 C 0.2710(2) 0.1414(2) 0.53398(12) 0.0367(7) Uani 1 1 d . . .
H31A H 0.3180 0.1876 0.5449 0.044 Uiso 1 1 calc R A .
H31B H 0.3061 0.0889 0.5301 0.044 Uiso 1 1 calc R . .
C32 C 0.2056(2) 0.16441(19) 0.48188(12) 0.0348(7) Uani 1 1 d . A .
H32A H 0.1591 0.1180 0.4704 0.042 Uiso 1 1 calc R . .
H32B H 0.1701 0.2167 0.4855 0.042 Uiso 1 1 calc R . .
C33 C 0.2584(2) 0.17890(19) 0.44128(11) 0.0333(7) Uani 1 1 d . . .
H33A H 0.2932 0.1263 0.4376 0.040 Uiso 1 1 calc R A .
H33B H 0.3056 0.2246 0.4532 0.040 Uiso 1 1 calc R . .
C34 C 0.1950(2) 0.20324(19) 0.38889(12) 0.0366(7) Uani 1 1 d . A .
H34A H 0.1597 0.2556 0.3926 0.044 Uiso 1 1 calc R . .
H34B H 0.1482 0.1572 0.3768 0.044 Uiso 1 1 calc R . .
C35 C 0.2486(2) 0.2187(2) 0.34817(12) 0.0394(8) Uani 1 1 d . . .
H35A H 0.2023 0.2329 0.3152 0.047 Uiso 1 1 calc R A .
H35B H 0.2804 0.1651 0.3429 0.047 Uiso 1 1 calc R . .
C36 C 0.3227(2) 0.28947(19) 0.36118(12) 0.0354(7) Uani 1 1 d . A .
H36A H 0.3718 0.2736 0.3928 0.042 Uiso 1 1 calc R . .
H36B H 0.3538 0.2945 0.3328 0.042 Uiso 1 1 calc R . .
C37 C 0.2812(2) 0.37541(17) 0.36949(11) 0.0293(6) Uani 1 1 d . . .
H37A H 0.2508 0.3710 0.3982 0.035 Uiso 1 1 calc R A .
H37B H 0.2320 0.3916 0.3380 0.035 Uiso 1 1 calc R . .
C38 C 0.3575(2) 0.44408(17) 0.38194(11) 0.0280(6) Uani 1 1 d . A .
H38A H 0.3852 0.4500 0.3523 0.034 Uiso 1 1 calc R . .
H38B H 0.4085 0.4253 0.4119 0.034 Uiso 1 1 calc R . .
C39 C 0.28071(18) 0.58448(18) 0.60800(9) 0.0243(6) Uani 1 1 d . . .
H39A H 0.3051 0.6421 0.6039 0.029 Uiso 1 1 calc R A .
H39B H 0.2442 0.5886 0.6341 0.029 Uiso 1 1 calc R . .
C40 C 0.36550(19) 0.52582(18) 0.62927(10) 0.0273(6) Uani 1 1 d . A .
H40A H 0.3430 0.4706 0.6393 0.033 Uiso 1 1 calc R . .
H40B H 0.3982 0.5147 0.6021 0.033 Uiso 1 1 calc R . .
C41 C 0.43456(19) 0.56570(18) 0.67575(10) 0.0281(6) Uani 1 1 d . . .
H41A H 0.4578 0.6201 0.6650 0.034 Uiso 1 1 calc R A .
H41B H 0.4896 0.5273 0.6874 0.034 Uiso 1 1 calc R . .
C42 C 0.3927(2) 0.58310(19) 0.72111(10) 0.0290(6) Uani 1 1 d . A .
H42A H 0.3400 0.6243 0.7102 0.035 Uiso 1 1 calc R . .
H42B H 0.3662 0.5295 0.7307 0.035 Uiso 1 1 calc R . .
C43 C 0.4648(2) 0.6184(2) 0.76823(11) 0.0376(7) Uani 1 1 d . . .
H43A H 0.4339 0.6244 0.7966 0.045 Uiso 1 1 calc R A .
H43B H 0.5167 0.5766 0.7793 0.045 Uiso 1 1 calc R . .
C44 C 0.5073(2) 0.70403(19) 0.75983(12) 0.0370(7) Uani 1 1 d . A .
H44A H 0.5581 0.7185 0.7910 0.044 Uiso 1 1 calc R . .
H44B H 0.5366 0.6987 0.7308 0.044 Uiso 1 1 calc R . .
C45 C 0.4361(3) 0.7760(2) 0.74851(15) 0.0523(9) Uani 1 1 d . . .
H45A H 0.4016 0.7772 0.7755 0.063 Uiso 1 1 calc R A .
H45B H 0.3895 0.7648 0.7152 0.063 Uiso 1 1 calc R . .
C46 C 0.4812(3) 0.8627(2) 0.74620(15) 0.0583(10) Uani 1 1 d . A .
H46A H 0.4333 0.9075 0.7455 0.070 Uiso 1 1 calc R . .
H46B H 0.5331 0.8708 0.7779 0.070 Uiso 1 1 calc R . .
C47 C 0.5196(3) 0.8734(2) 0.70056(13) 0.0510(9) Uani 1 1 d . . .
H47A H 0.5643 0.8262 0.7004 0.061 Uiso 1 1 calc R A .
H47B H 0.5561 0.9272 0.7047 0.061 Uiso 1 1 calc R . .
C48 C 0.4478(3) 0.8752(2) 0.64933(14) 0.0567(10) Uani 1 1 d . A .
H48A H 0.4033 0.9228 0.6490 0.068 Uiso 1 1 calc R . .
H48B H 0.4110 0.8216 0.6448 0.068 Uiso 1 1 calc R . .
C49 C 0.4919(3) 0.8858(2) 0.60379(13) 0.0490(9) Uani 1 1 d . . .
H49A H 0.5299 0.9388 0.6091 0.059 Uiso 1 1 calc R A .
H49B H 0.5358 0.8377 0.6043 0.059 Uiso 1 1 calc R . .
C50 C 0.4241(3) 0.8896(2) 0.55188(13) 0.0471(9) Uani 1 1 d . A .
H50A H 0.3911 0.9452 0.5479 0.057 Uiso 1 1 calc R . .
H50B H 0.3759 0.8445 0.5494 0.057 Uiso 1 1 calc R . .
C51 C 0.4707(2) 0.87842(19) 0.50823(12) 0.0361(7) Uani 1 1 d . . .
H51A H 0.5006 0.8215 0.5111 0.043 Uiso 1 1 calc R A .
H51B H 0.5213 0.9215 0.5118 0.043 Uiso 1 1 calc R . .
C52 C 0.4018(2) 0.8871(2) 0.45530(12) 0.0363(7) Uani 1 1 d . A .
H52A H 0.3472 0.8490 0.4535 0.044 Uiso 1 1 calc R . .
H52B H 0.3777 0.9463 0.4511 0.044 Uiso 1 1 calc R . .
C53 C 0.4438(2) 0.86609(19) 0.41086(12) 0.0371(7) Uani 1 1 d . . .
H53A H 0.5007 0.9018 0.4140 0.044 Uiso 1 1 calc R A .
H53B H 0.3974 0.8818 0.3782 0.044 Uiso 1 1 calc R . .
C54 C 0.4715(2) 0.77265(18) 0.40757(11) 0.0309(6) Uani 1 1 d . A .
H54A H 0.5034 0.7663 0.3796 0.037 Uiso 1 1 calc R . .
H54B H 0.5173 0.7562 0.4403 0.037 Uiso 1 1 calc R . .
C55 C 0.38722(19) 0.71294(17) 0.39749(11) 0.0293(6) Uani 1 1 d . . .
H55A H 0.3430 0.7280 0.3640 0.035 Uiso 1 1 calc R A .
H55B H 0.3536 0.7216 0.4245 0.035 Uiso 1 1 calc R . .
C56 C 0.41362(19) 0.61897(18) 0.39653(11) 0.0281(6) Uani 1 1 d . A .
H56A H 0.4664 0.6063 0.4271 0.034 Uiso 1 1 calc R . .
H56B H 0.4361 0.6079 0.3655 0.034 Uiso 1 1 calc R . .


_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 C1 1.882(3) . ?
Os1 C2 1.887(3) . ?
Os1 C2A 1.892(5) . ?
Os1 P2 2.3981(7) . ?
Os1 P1 2.3989(7) . ?
Os1 Cl1A 2.413(4) . ?
Os1 Cl1 2.4270(9) . ?
Os1 Cl2 2.4414(7) . ?
C2 O2 1.132(4) . ?
C2A O2A 1.136(6) . ?
P1 C21 1.817(3) . ?
P1 C39 1.825(3) . ?
P1 C3 1.827(3) . ?
P2 C38 1.816(3) . ?
P2 C20 1.822(3) . ?
P2 C56 1.826(3) . ?
C1 O1 1.122(3) . ?
C3 C4 1.521(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.517(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.524(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.517(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.520(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.521(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.507(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.513(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.529(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.514(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.524(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.469(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.505(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.525(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.487(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.515(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.538(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.531(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.513(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.535(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.519(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.519(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.514(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.530(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.532(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.513(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.520(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.520(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.514(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.519(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.526(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.529(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.521(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.525(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.531(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.522(4) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.529(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.525(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.523(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.514(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.520(5) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.490(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.498(5) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.538(5) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.488(5) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.517(4) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.520(4) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.519(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.531(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.517(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.527(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Os1 C2 92.03(15) . . ?
C1 Os1 C2A 90.9(6) . . ?
C2 Os1 C2A 176.5(5) . . ?
C1 Os1 P2 92.98(8) . . ?
C2 Os1 P2 87.85(12) . . ?
C2A Os1 P2 90.0(6) . . ?
C1 Os1 P1 92.10(8) . . ?
C2 Os1 P1 93.63(12) . . ?
C2A Os1 P1 88.2(6) . . ?
P2 Os1 P1 174.66(2) . . ?
C1 Os1 Cl1A 90.75(19) . . ?
C2 Os1 Cl1A 1.7(3) . . ?
C2A Os1 Cl1A 178.2(6) . . ?
P2 Os1 Cl1A 89.07(16) . . ?
P1 Os1 Cl1A 92.52(16) . . ?
C1 Os1 Cl1 89.73(8) . . ?
C2 Os1 Cl1 177.69(13) . . ?
C2A Os1 Cl1 1.2(6) . . ?
P2 Os1 Cl1 90.56(3) . . ?
P1 Os1 Cl1 87.81(3) . . ?
Cl1A Os1 Cl1 179.41(17) . . ?
C1 Os1 Cl2 178.04(8) . . ?
C2 Os1 Cl2 87.65(13) . . ?
C2A Os1 Cl2 89.5(6) . . ?
P2 Os1 Cl2 88.94(2) . . ?
P1 Os1 Cl2 86.00(2) . . ?
Cl1A Os1 Cl2 88.89(18) . . ?
Cl1 Os1 Cl2 90.65(3) . . ?
O2 C2 Os1 177.2(3) . . ?
O2A C2A Os1 176.7(18) . . ?
C21 P1 C39 106.06(13) . . ?
C21 P1 C3 105.14(13) . . ?
C39 P1 C3 102.24(12) . . ?
C21 P1 Os1 113.12(9) . . ?
C39 P1 Os1 116.19(9) . . ?
C3 P1 Os1 112.93(9) . . ?
C38 P2 C20 104.81(13) . . ?
C38 P2 C56 103.70(13) . . ?
C20 P2 C56 104.65(13) . . ?
C38 P2 Os1 115.91(9) . . ?
C20 P2 Os1 113.24(9) . . ?
C56 P2 Os1 113.36(9) . . ?
O1 C1 Os1 178.9(2) . . ?
C4 C3 P1 113.88(18) . . ?
C4 C3 H3A 108.8 . . ?
P1 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
P1 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
C5 C4 C3 113.2(2) . . ?
C5 C4 H4A 108.9 . . ?
C3 C4 H4A 108.9 . . ?
C5 C4 H4B 108.9 . . ?
C3 C4 H4B 108.9 . . ?
H4A C4 H4B 107.8 . . ?
C4 C5 C6 114.0(3) . . ?
C4 C5 H5A 108.8 . . ?
C6 C5 H5A 108.8 . . ?
C4 C5 H5B 108.8 . . ?
C6 C5 H5B 108.8 . . ?
H5A C5 H5B 107.6 . . ?
C7 C6 C5 115.2(3) . . ?
C7 C6 H6A 108.5 . . ?
C5 C6 H6A 108.5 . . ?
C7 C6 H6B 108.5 . . ?
C5 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C6 C7 C8 115.5(3) . . ?
C6 C7 H7A 108.4 . . ?
C8 C7 H7A 108.4 . . ?
C6 C7 H7B 108.4 . . ?
C8 C7 H7B 108.4 . . ?
H7A C7 H7B 107.5 . . ?
C7 C8 C9 113.2(3) . . ?
C7 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
C7 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C8 115.2(3) . . ?
C10 C9 H9A 108.5 . . ?
C8 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
C8 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C11 114.3(3) . . ?
C9 C10 H10A 108.7 . . ?
C11 C10 H10A 108.7 . . ?
C9 C10 H10B 108.7 . . ?
C11 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C10 C11 C12 115.8(4) . . ?
C10 C11 H11A 108.3 . . ?
C12 C11 H11A 108.3 . . ?
C10 C11 H11B 108.3 . . ?
C12 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C13 C12 C11 115.9(3) . . ?
C13 C12 H12A 108.3 . . ?
C11 C12 H12A 108.3 . . ?
C13 C12 H12B 108.3 . . ?
C11 C12 H12B 108.3 . . ?
H12A C12 H12B 107.4 . . ?
C12 C13 C14 116.9(4) . . ?
C12 C13 H13A 108.1 . . ?
C14 C13 H13A 108.1 . . ?
C12 C13 H13B 108.1 . . ?
C14 C13 H13B 108.1 . . ?
H13A C13 H13B 107.3 . . ?
C15 C14 C13 114.7(3) . . ?
C15 C14 H14A 108.6 . . ?
C13 C14 H14A 108.6 . . ?
C15 C14 H14B 108.6 . . ?
C13 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
C14 C15 C16 113.9(3) . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
C16 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 C17 113.0(3) . . ?
C15 C16 H16A 109.0 . . ?
C17 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
C17 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17 C16 113.3(3) . . ?
C18 C17 H17A 108.9 . . ?
C16 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C17 C18 C19 114.9(3) . . ?
C17 C18 H18A 108.5 . . ?
C19 C18 H18A 108.5 . . ?
C17 C18 H18B 108.5 . . ?
C19 C18 H18B 108.5 . . ?
H18A C18 H18B 107.5 . . ?
C18 C19 C20 114.3(3) . . ?
C18 C19 H19A 108.7 . . ?
C20 C19 H19A 108.7 . . ?
C18 C19 H19B 108.7 . . ?
C20 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C19 C20 P2 114.1(2) . . ?
C19 C20 H20A 108.7 . . ?
P2 C20 H20A 108.7 . . ?
C19 C20 H20B 108.7 . . ?
P2 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
C22 C21 P1 117.75(19) . . ?
C22 C21 H21A 107.9 . . ?
P1 C21 H21A 107.9 . . ?
C22 C21 H21B 107.9 . . ?
P1 C21 H21B 107.9 . . ?
H21A C21 H21B 107.2 . . ?
C23 C22 C21 110.4(2) . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C22 C23 C24 114.8(2) . . ?
C22 C23 H23A 108.6 . . ?
C24 C23 H23A 108.6 . . ?
C22 C23 H23B 108.6 . . ?
C24 C23 H23B 108.6 . . ?
H23A C23 H23B 107.5 . . ?
C25 C24 C23 114.6(2) . . ?
C25 C24 H24A 108.6 . . ?
C23 C24 H24A 108.6 . . ?
C25 C24 H24B 108.6 . . ?
C23 C24 H24B 108.6 . . ?
H24A C24 H24B 107.6 . . ?
C26 C25 C24 115.6(3) . . ?
C26 C25 H25A 108.4 . . ?
C24 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C24 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C27 C26 C25 114.1(3) . . ?
C27 C26 H26A 108.7 . . ?
C25 C26 H26A 108.7 . . ?
C27 C26 H26B 108.7 . . ?
C25 C26 H26B 108.7 . . ?
H26A C26 H26B 107.6 . . ?
C26 C27 C28 114.7(3) . . ?
C26 C27 H27A 108.6 . . ?
C28 C27 H27A 108.6 . . ?
C26 C27 H27B 108.6 . . ?
C28 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C27 C28 C29 114.8(3) . . ?
C27 C28 H28A 108.6 . . ?
C29 C28 H28A 108.6 . . ?
C27 C28 H28B 108.6 . . ?
C29 C28 H28B 108.6 . . ?
H28A C28 H28B 107.5 . . ?
C30 C29 C28 114.7(3) . . ?
C30 C29 H29A 108.6 . . ?
C28 C29 H29A 108.6 . . ?
C30 C29 H29B 108.6 . . ?
C28 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
C29 C30 C31 112.2(3) . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
C31 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C32 C31 C30 114.3(3) . . ?
C32 C31 H31A 108.7 . . ?
C30 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
C30 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C33 C32 C31 112.6(2) . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
C31 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 C34 113.9(2) . . ?
C32 C33 H33A 108.8 . . ?
C34 C33 H33A 108.8 . . ?
C32 C33 H33B 108.8 . . ?
C34 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 C35 113.7(3) . . ?
C33 C34 H34A 108.8 . . ?
C35 C34 H34A 108.8 . . ?
C33 C34 H34B 108.8 . . ?
C35 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
C34 C35 C36 114.8(2) . . ?
C34 C35 H35A 108.6 . . ?
C36 C35 H35A 108.6 . . ?
C34 C35 H35B 108.6 . . ?
C36 C35 H35B 108.6 . . ?
H35A C35 H35B 107.5 . . ?
C37 C36 C35 113.0(2) . . ?
C37 C36 H36A 109.0 . . ?
C35 C36 H36A 109.0 . . ?
C37 C36 H36B 109.0 . . ?
C35 C36 H36B 109.0 . . ?
H36A C36 H36B 107.8 . . ?
C36 C37 C38 111.2(2) . . ?
C36 C37 H37A 109.4 . . ?
C38 C37 H37A 109.4 . . ?
C36 C37 H37B 109.4 . . ?
C38 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C37 C38 P2 114.06(19) . . ?
C37 C38 H38A 108.7 . . ?
P2 C38 H38A 108.7 . . ?
C37 C38 H38B 108.7 . . ?
P2 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 P1 116.71(19) . . ?
C40 C39 H39A 108.1 . . ?
P1 C39 H39A 108.1 . . ?
C40 C39 H39B 108.1 . . ?
P1 C39 H39B 108.1 . . ?
H39A C39 H39B 107.3 . . ?
C41 C40 C39 111.0(2) . . ?
C41 C40 H40A 109.4 . . ?
C39 C40 H40A 109.4 . . ?
C41 C40 H40B 109.4 . . ?
C39 C40 H40B 109.4 . . ?
H40A C40 H40B 108.0 . . ?
C40 C41 C42 114.2(2) . . ?
C40 C41 H41A 108.7 . . ?
C42 C41 H41A 108.7 . . ?
C40 C41 H41B 108.7 . . ?
C42 C41 H41B 108.7 . . ?
H41A C41 H41B 107.6 . . ?
C43 C42 C41 113.2(2) . . ?
C43 C42 H42A 108.9 . . ?
C41 C42 H42A 108.9 . . ?
C43 C42 H42B 108.9 . . ?
C41 C42 H42B 108.9 . . ?
H42A C42 H42B 107.8 . . ?
C44 C43 C42 114.7(2) . . ?
C44 C43 H43A 108.6 . . ?
C42 C43 H43A 108.6 . . ?
C44 C43 H43B 108.6 . . ?
C42 C43 H43B 108.6 . . ?
H43A C43 H43B 107.6 . . ?
C45 C44 C43 113.7(3) . . ?
C45 C44 H44A 108.8 . . ?
C43 C44 H44A 108.8 . . ?
C45 C44 H44B 108.8 . . ?
C43 C44 H44B 108.8 . . ?
H44A C44 H44B 107.7 . . ?
C44 C45 C46 113.1(3) . . ?
C44 C45 H45A 109.0 . . ?
C46 C45 H45A 109.0 . . ?
C44 C45 H45B 109.0 . . ?
C46 C45 H45B 109.0 . . ?
H45A C45 H45B 107.8 . . ?
C47 C46 C45 113.4(3) . . ?
C47 C46 H46A 108.9 . . ?
C45 C46 H46A 108.9 . . ?
C47 C46 H46B 108.9 . . ?
C45 C46 H46B 108.9 . . ?
H46A C46 H46B 107.7 . . ?
C46 C47 C48 115.8(3) . . ?
C46 C47 H47A 108.3 . . ?
C48 C47 H47A 108.3 . . ?
C46 C47 H47B 108.3 . . ?
C48 C47 H47B 108.3 . . ?
H47A C47 H47B 107.4 . . ?
C47 C48 C49 113.3(3) . . ?
C47 C48 H48A 108.9 . . ?
C49 C48 H48A 108.9 . . ?
C47 C48 H48B 108.9 . . ?
C49 C48 H48B 108.9 . . ?
H48A C48 H48B 107.7 . . ?
C50 C49 C48 115.8(3) . . ?
C50 C49 H49A 108.3 . . ?
C48 C49 H49A 108.3 . . ?
C50 C49 H49B 108.3 . . ?
C48 C49 H49B 108.3 . . ?
H49A C49 H49B 107.4 . . ?
C49 C50 C51 113.4(3) . . ?
C49 C50 H50A 108.9 . . ?
C51 C50 H50A 108.9 . . ?
C49 C50 H50B 108.9 . . ?
C51 C50 H50B 108.9 . . ?
H50A C50 H50B 107.7 . . ?
C50 C51 C52 113.1(3) . . ?
C50 C51 H51A 109.0 . . ?
C52 C51 H51A 109.0 . . ?
C50 C51 H51B 109.0 . . ?
C52 C51 H51B 109.0 . . ?
H51A C51 H51B 107.8 . . ?
C53 C52 C51 114.3(3) . . ?
C53 C52 H52A 108.7 . . ?
C51 C52 H52A 108.7 . . ?
C53 C52 H52B 108.7 . . ?
C51 C52 H52B 108.7 . . ?
H52A C52 H52B 107.6 . . ?
C52 C53 C54 115.0(2) . . ?
C52 C53 H53A 108.5 . . ?
C54 C53 H53A 108.5 . . ?
C52 C53 H53B 108.5 . . ?
C54 C53 H53B 108.5 . . ?
H53A C53 H53B 107.5 . . ?
C55 C54 C53 112.7(2) . . ?
C55 C54 H54A 109.0 . . ?
C53 C54 H54A 109.0 . . ?
C55 C54 H54B 109.0 . . ?
C53 C54 H54B 109.0 . . ?
H54A C54 H54B 107.8 . . ?
C54 C55 C56 113.7(2) . . ?
C54 C55 H55A 108.8 . . ?
C56 C55 H55A 108.8 . . ?
C54 C55 H55B 108.8 . . ?
C56 C55 H55B 108.8 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 P2 112.95(19) . . ?
C55 C56 H56A 109.0 . . ?
P2 C56 H56A 109.0 . . ?
C55 C56 H56B 109.0 . . ?
P2 C56 H56B 109.0 . . ?
H56A C56 H56B 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Os1 C2 O2 123(7) . . . . ?
C2A Os1 C2 O2 -22(11) . . . . ?
P2 Os1 C2 O2 30(7) . . . . ?
P1 Os1 C2 O2 -145(7) . . . . ?
Cl1A Os1 C2 O2 165(15) . . . . ?
Cl1 Os1 C2 O2 -16(10) . . . . ?
Cl2 Os1 C2 O2 -59(7) . . . . ?
C1 Os1 C2A O2A -97(32) . . . . ?
C2 Os1 C2A O2A 49(38) . . . . ?
P2 Os1 C2A O2A -4(32) . . . . ?
P1 Os1 C2A O2A 171(32) . . . . ?
Cl1A Os1 C2A O2A 56(45) . . . . ?
Cl1 Os1 C2A O2A -120(51) . . . . ?
Cl2 Os1 C2A O2A 85(32) . . . . ?
C1 Os1 P1 C21 -135.96(13) . . . . ?
C2 Os1 P1 C21 131.87(16) . . . . ?
C2A Os1 P1 C21 -45.2(6) . . . . ?
P2 Os1 P1 C21 25.9(3) . . . . ?
Cl1A Os1 P1 C21 133.2(2) . . . . ?
Cl1 Os1 P1 C21 -46.31(11) . . . . ?
Cl2 Os1 P1 C21 44.49(11) . . . . ?
C1 Os1 P1 C39 -12.92(13) . . . . ?
C2 Os1 P1 C39 -105.09(16) . . . . ?
C2A Os1 P1 C39 77.9(6) . . . . ?
P2 Os1 P1 C39 149.0(3) . . . . ?
Cl1A Os1 P1 C39 -103.8(2) . . . . ?
Cl1 Os1 P1 C39 76.73(10) . . . . ?
Cl2 Os1 P1 C39 167.53(10) . . . . ?
C1 Os1 P1 C3 104.76(13) . . . . ?
C2 Os1 P1 C3 12.60(16) . . . . ?
C2A Os1 P1 C3 -164.4(6) . . . . ?
P2 Os1 P1 C3 -93.4(3) . . . . ?
Cl1A Os1 P1 C3 13.9(2) . . . . ?
Cl1 Os1 P1 C3 -165.59(10) . . . . ?
Cl2 Os1 P1 C3 -74.79(10) . . . . ?
C1 Os1 P2 C38 106.42(13) . . . . ?
C2 Os1 P2 C38 -161.66(16) . . . . ?
C2A Os1 P2 C38 15.6(6) . . . . ?
P1 Os1 P2 C38 -55.4(3) . . . . ?
Cl1A Os1 P2 C38 -162.9(2) . . . . ?
Cl1 Os1 P2 C38 16.66(11) . . . . ?
Cl2 Os1 P2 C38 -73.97(11) . . . . ?
C1 Os1 P2 C20 -132.39(13) . . . . ?
C2 Os1 P2 C20 -40.47(16) . . . . ?
C2A Os1 P2 C20 136.7(6) . . . . ?
P1 Os1 P2 C20 65.7(3) . . . . ?
Cl1A Os1 P2 C20 -41.7(2) . . . . ?
Cl1 Os1 P2 C20 137.85(11) . . . . ?
Cl2 Os1 P2 C20 47.22(10) . . . . ?
C1 Os1 P2 C56 -13.35(13) . . . . ?
C2 Os1 P2 C56 78.57(16) . . . . ?
C2A Os1 P2 C56 -104.2(6) . . . . ?
P1 Os1 P2 C56 -175.2(2) . . . . ?
Cl1A Os1 P2 C56 77.3(2) . . . . ?
Cl1 Os1 P2 C56 -103.11(11) . . . . ?
Cl2 Os1 P2 C56 166.25(10) . . . . ?
C2 Os1 C1 O1 72(16) . . . . ?
C2A Os1 C1 O1 -110(16) . . . . ?
P2 Os1 C1 O1 160(16) . . . . ?
P1 Os1 C1 O1 -22(16) . . . . ?
Cl1A Os1 C1 O1 70(16) . . . . ?
Cl1 Os1 C1 O1 -110(16) . . . . ?
Cl2 Os1 C1 O1 -9(18) . . . . ?
C21 P1 C3 C4 160.79(19) . . . . ?
C39 P1 C3 C4 50.2(2) . . . . ?
Os1 P1 C3 C4 -75.4(2) . . . . ?
P1 C3 C4 C5 164.7(2) . . . . ?
C3 C4 C5 C6 -173.9(3) . . . . ?
C4 C5 C6 C7 70.3(4) . . . . ?
C5 C6 C7 C8 73.7(4) . . . . ?
C6 C7 C8 C9 -175.9(3) . . . . ?
C7 C8 C9 C10 -173.4(3) . . . . ?
C8 C9 C10 C11 -172.0(3) . . . . ?
C9 C10 C11 C12 -172.7(3) . . . . ?
C10 C11 C12 C13 -56.2(5) . . . . ?
C11 C12 C13 C14 -54.5(5) . . . . ?
C12 C13 C14 C15 -64.2(5) . . . . ?
C13 C14 C15 C16 175.4(4) . . . . ?
C14 C15 C16 C17 -68.2(5) . . . . ?
C15 C16 C17 C18 -176.6(3) . . . . ?
C16 C17 C18 C19 170.1(3) . . . . ?
C17 C18 C19 C20 60.1(4) . . . . ?
C18 C19 C20 P2 -173.9(2) . . . . ?
C38 P2 C20 C19 -51.0(2) . . . . ?
C56 P2 C20 C19 57.8(2) . . . . ?
Os1 P2 C20 C19 -178.27(17) . . . . ?
C39 P1 C21 C22 40.7(2) . . . . ?
C3 P1 C21 C22 -67.2(2) . . . . ?
Os1 P1 C21 C22 169.14(18) . . . . ?
P1 C21 C22 C23 171.7(2) . . . . ?
C21 C22 C23 C24 174.4(2) . . . . ?
C22 C23 C24 C25 -63.4(3) . . . . ?
C23 C24 C25 C26 -54.9(4) . . . . ?
C24 C25 C26 C27 -58.6(4) . . . . ?
C25 C26 C27 C28 -177.8(3) . . . . ?
C26 C27 C28 C29 -60.0(4) . . . . ?
C27 C28 C29 C30 -57.6(4) . . . . ?
C28 C29 C30 C31 -176.2(3) . . . . ?
C29 C30 C31 C32 -173.3(3) . . . . ?
C30 C31 C32 C33 179.4(3) . . . . ?
C31 C32 C33 C34 -179.2(3) . . . . ?
C32 C33 C34 C35 179.4(2) . . . . ?
C33 C34 C35 C36 -59.5(4) . . . . ?
C34 C35 C36 C37 -59.0(4) . . . . ?
C35 C36 C37 C38 -179.6(2) . . . . ?
C36 C37 C38 P2 -176.6(2) . . . . ?
C20 P2 C38 C37 -59.6(2) . . . . ?
C56 P2 C38 C37 -169.1(2) . . . . ?
Os1 P2 C38 C37 66.0(2) . . . . ?
C21 P1 C39 C40 60.9(2) . . . . ?
C3 P1 C39 C40 170.9(2) . . . . ?
Os1 P1 C39 C40 -65.7(2) . . . . ?
P1 C39 C40 C41 171.52(19) . . . . ?
C39 C40 C41 C42 61.0(3) . . . . ?
C40 C41 C42 C43 176.8(2) . . . . ?
C41 C42 C43 C44 62.0(3) . . . . ?
C42 C43 C44 C45 64.8(4) . . . . ?
C43 C44 C45 C46 173.5(3) . . . . ?
C44 C45 C46 C47 69.5(4) . . . . ?
C45 C46 C47 C48 66.8(4) . . . . ?
C46 C47 C48 C49 -179.6(3) . . . . ?
C47 C48 C49 C50 -179.0(3) . . . . ?
C48 C49 C50 C51 -165.9(3) . . . . ?
C49 C50 C51 C52 -176.9(3) . . . . ?
C50 C51 C52 C53 -173.2(3) . . . . ?
C51 C52 C53 C54 66.7(3) . . . . ?
C52 C53 C54 C55 63.9(3) . . . . ?
C53 C54 C55 C56 -177.3(2) . . . . ?
C54 C55 C56 P2 169.50(19) . . . . ?
C38 P2 C56 C55 168.9(2) . . . . ?
C20 P2 C56 C55 59.3(2) . . . . ?
Os1 P2 C56 C55 -64.6(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.090
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.084
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: C6D6 and MeOH'
####################################################################### 
# 
# 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_face
_database_code_depnum_ccdc_archive 'CCDC 1446697'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H84 Br2 O2 Os P2'
_chemical_formula_weight         1057.07

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'
O O 0.0106 0.0060 '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'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.1297(14)
_cell_length_b                   20.476(2)
_cell_length_c                   20.998(2)
_cell_angle_alpha                89.6590(10)
_cell_angle_beta                 73.2110(10)
_cell_angle_gamma                72.8080(10)
_cell_volume                     4751.8(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9905
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      22.37

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2160
_exptl_absorpt_coefficient_mu    4.465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2498
_exptl_absorpt_correction_T_max  0.8777
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31737
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.39
_diffrn_reflns_theta_max         22.40
_reflns_number_total             12121
_reflns_number_gt                10278
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX-II (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  APEX-II(BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        APEX-II
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; calc 
 [1.00000+-1.00000exp(-8.00(sinθ/λ)²)]/ 
   [σ²(Fo²)+0.0000+252.1994*P+(0.0289P)²+0.0000sinθ/λ] 
 where P = 0.33333Fo² + 0.66667Fc² 
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12121
_refine_ls_number_parameters     913
_refine_ls_number_restraints     696
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0845
_refine_ls_wR_factor_ref         0.2291
_refine_ls_wR_factor_gt          0.2209
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.60073(6) 0.13839(4) 0.36955(4) 0.0194(2) Uani 1 1 d . . .
Br1 Br 0.54819(18) 0.05502(10) 0.30056(10) 0.0318(5) Uani 1 1 d . . .
Br2 Br 0.80415(17) 0.12470(12) 0.27956(10) 0.0355(5) Uani 1 1 d . . .
P1 P 0.7073(4) 0.0462(2) 0.4218(2) 0.0201(10) Uani 1 1 d . . .
P2 P 0.5070(4) 0.2280(3) 0.3096(3) 0.0247(11) Uani 1 1 d . . .
C1 C 0.451(3) 0.1445(11) 0.4340(14) 0.039(6) Uani 1 1 d . . .
O1 O 0.3673(14) 0.1445(7) 0.4683(8) 0.028(3) Uani 1 1 d . . .
C2 C 0.629(2) 0.2034(12) 0.4203(11) 0.034(5) Uani 1 1 d . . .
O2 O 0.6365(16) 0.2458(8) 0.4532(9) 0.045(4) Uani 1 1 d . . .
C3 C 0.8664(17) 0.0380(10) 0.4137(10) 0.030(4) Uani 1 1 d DU . .
H3A H 0.8927 0.0030 0.4421 0.036 Uiso 1 1 d R . .
H3B H 0.9141 0.0214 0.3682 0.036 Uiso 1 1 d R . .
C4 C 0.8905(16) 0.1019(10) 0.4377(11) 0.035(3) Uani 1 1 d DU . .
H4A H 0.8832 0.1333 0.4032 0.042 Uiso 1 1 d R . .
H4B H 0.8318 0.1246 0.4790 0.042 Uiso 1 1 d R . .
C5 C 1.0197(16) 0.0869(10) 0.4410(12) 0.040(3) Uani 1 1 d DU . .
H5A H 1.0760 0.0563 0.4031 0.048 Uiso 1 1 d R . .
H5B H 1.0215 0.0623 0.4805 0.048 Uiso 1 1 d R . .
C6 C 1.0630(19) 0.1491(10) 0.4455(11) 0.044(4) Uani 1 1 d DU . .
H6A H 1.1443 0.1328 0.4486 0.053 Uiso 1 1 d R . .
H6B H 1.0662 0.1720 0.4047 0.053 Uiso 1 1 d R . .
C7 C 0.986(2) 0.1991(11) 0.5066(9) 0.046(4) Uani 1 1 d DU . .
H7A H 0.9019 0.2090 0.5089 0.055 Uiso 1 1 d R . .
H7B H 1.0067 0.2414 0.4989 0.055 Uiso 1 1 d R . .
C8 C 1.004(2) 0.1714(12) 0.5721(10) 0.050(4) Uani 1 1 d DU . .
H8A H 1.0886 0.1592 0.5687 0.060 Uiso 1 1 d R . .
H8B H 0.9795 0.1303 0.5805 0.060 Uiso 1 1 d R . .
C9 C 0.9312(18) 0.2250(13) 0.6326(13) 0.057(4) Uani 1 1 d DU . .
H9A H 0.9448 0.2054 0.6728 0.068 Uiso 1 1 d R . .
H9B H 0.9609 0.2645 0.6265 0.068 Uiso 1 1 d R . .
C10 C 0.7935(18) 0.2517(11) 0.6452(14) 0.055(4) Uani 1 1 d DU . .
H10A H 0.7810 0.2747 0.6062 0.066 Uiso 1 1 d R . .
H10B H 0.7547 0.2856 0.6831 0.066 Uiso 1 1 d R . .
C11 C 0.7345(18) 0.1943(11) 0.6517(13) 0.049(4) Uani 1 1 d DU . .
H11A H 0.7430 0.1725 0.6919 0.059 Uiso 1 1 d R . .
H11B H 0.7742 0.1594 0.6147 0.059 Uiso 1 1 d R . .
C12 C 0.6010(17) 0.2201(10) 0.6550(13) 0.045(4) Uani 1 1 d DU . .
H12A H 0.5630 0.2584 0.6888 0.054 Uiso 1 1 d R . .
H12B H 0.5929 0.2374 0.6130 0.054 Uiso 1 1 d R . .
C13 C 0.534(2) 0.1668(9) 0.6739(11) 0.043(4) Uani 1 1 d DU . .
H13A H 0.4522 0.1876 0.6726 0.052 Uiso 1 1 d R . .
H13B H 0.5298 0.1561 0.7194 0.052 Uiso 1 1 d R . .
C14 C 0.590(2) 0.1006(9) 0.6267(8) 0.036(3) Uani 1 1 d DU . .
H14A H 0.6699 0.0776 0.6295 0.043 Uiso 1 1 d R . .
H14B H 0.5405 0.0708 0.6427 0.043 Uiso 1 1 d R . .
C15 C 0.5948(18) 0.1129(9) 0.5544(8) 0.030(3) Uani 1 1 d DU . .
H15A H 0.6496 0.1393 0.5369 0.036 Uiso 1 1 d R . .
H15B H 0.5159 0.1389 0.5517 0.036 Uiso 1 1 d R . .
C16 C 0.6366(17) 0.0449(9) 0.5116(9) 0.027(4) Uani 1 1 d DU . .
H16A H 0.5685 0.0275 0.5181 0.032 Uiso 1 1 d R . .
H16B H 0.6944 0.0129 0.5294 0.032 Uiso 1 1 d R . .
C17 C 0.7197(18) -0.0393(11) 0.3927(10) 0.036(4) Uani 1 1 d DU . .
H17A H 0.7470 -0.0704 0.4239 0.043 Uiso 1 1 d R . .
H17B H 0.6397 -0.0405 0.3948 0.043 Uiso 1 1 d R . .
C18 C 0.804(2) -0.0651(12) 0.3220(11) 0.051(4) Uani 1 1 d DU . .
H18A H 0.8870 -0.0817 0.3231 0.061 Uiso 1 1 d R . .
H18B H 0.7982 -0.0284 0.2925 0.061 Uiso 1 1 d R . .
C19 C 0.773(3) -0.1231(15) 0.2930(14) 0.072(5) Uani 1 1 d DU . .
H19A H 0.7952 -0.1631 0.3170 0.087 Uiso 1 1 d R . .
H19B H 0.6862 -0.1096 0.3016 0.087 Uiso 1 1 d R . .
C20 C 0.850(3) -0.143(2) 0.2202(14) 0.095(5) Uani 1 1 d DU . .
H20A H 0.8534 -0.1010 0.1987 0.114 Uiso 1 1 d R . .
H20B H 0.9328 -0.1708 0.2141 0.114 Uiso 1 1 d R . .
C21 C 0.845(3) -0.177(2) 0.1573(18) 0.102(6) Uani 1 1 d DU . .
H21A H 0.9080 -0.2085 0.1226 0.123 Uiso 1 1 d R . .
H21B H 0.8035 -0.2033 0.1883 0.123 Uiso 1 1 d R . .
C22 C 0.712(3) -0.159(2) 0.1604(19) 0.104(6) Uani 1 1 d DU . .
H22A H 0.6668 -0.1189 0.1910 0.125 Uiso 1 1 d R . .
H22B H 0.6555 -0.1826 0.1558 0.125 Uiso 1 1 d R . .
C23 C 0.738(3) -0.121(2) 0.096(2) 0.110(6) Uani 1 1 d DU . .
H23A H 0.7872 -0.0918 0.0948 0.132 Uiso 1 1 d R . .
H23B H 0.7683 -0.1554 0.0583 0.132 Uiso 1 1 d R . .
C24 C 0.604(3) -0.0776(17) 0.115(2) 0.104(6) Uani 1 1 d DU . .
H24A H 0.5638 -0.1071 0.1021 0.125 Uiso 1 1 d R . .
H24B H 0.5767 -0.0698 0.1634 0.125 Uiso 1 1 d R . .
C25 C 0.578(4) -0.0123(15) 0.0774(19) 0.089(5) Uani 1 1 d DU . .
H25A H 0.4912 0.0065 0.0892 0.107 Uiso 1 1 d R . .
H25B H 0.6073 -0.0221 0.0294 0.107 Uiso 1 1 d R . .
C26 C 0.623(3) 0.0456(12) 0.0953(18) 0.074(5) Uani 1 1 d DU . .
H26A H 0.6268 0.0431 0.1407 0.089 Uiso 1 1 d R . .
H26B H 0.7041 0.0388 0.0661 0.089 Uiso 1 1 d R . .
C27 C 0.544(2) 0.1178(11) 0.0914(15) 0.060(4) Uani 1 1 d DU . .
H27A H 0.4649 0.1263 0.1237 0.072 Uiso 1 1 d R . .
H27B H 0.5335 0.1186 0.0473 0.072 Uiso 1 1 d R . .
C28 C 0.595(2) 0.1748(13) 0.1032(10) 0.049(4) Uani 1 1 d DU . .
H28A H 0.5433 0.2182 0.0953 0.059 Uiso 1 1 d R . .
H28B H 0.6724 0.1660 0.0695 0.059 Uiso 1 1 d R . .
C29 C 0.6161(16) 0.1813(12) 0.1712(8) 0.038(4) Uani 1 1 d DU . .
H29A H 0.6613 0.1371 0.1816 0.046 Uiso 1 1 d R . .
H29B H 0.6636 0.2124 0.1690 0.046 Uiso 1 1 d R . .
C30 C 0.4947(15) 0.2077(11) 0.2266(9) 0.030(4) Uani 1 1 d DU . .
H30A H 0.4512 0.1742 0.2312 0.036 Uiso 1 1 d R . .
H30B H 0.4463 0.2492 0.2134 0.036 Uiso 1 1 d R . .
C31 C 0.579(2) 0.2952(10) 0.2985(11) 0.035(4) Uani 1 1 d DU . .
H31A H 0.5803 0.3117 0.3412 0.042 Uiso 1 1 d R . .
H31B H 0.6617 0.2726 0.2729 0.042 Uiso 1 1 d R . .
C32 C 0.5329(19) 0.3567(9) 0.2611(10) 0.032(3) Uani 1 1 d DU . .
H32A H 0.5552 0.3439 0.2138 0.039 Uiso 1 1 d R . .
H32B H 0.4458 0.3733 0.2779 0.039 Uiso 1 1 d R . .
C33 C 0.583(2) 0.4145(9) 0.2741(11) 0.038(3) Uani 1 1 d DU . .
H33A H 0.6698 0.3958 0.2605 0.045 Uiso 1 1 d R . .
H33B H 0.5566 0.4280 0.3214 0.045 Uiso 1 1 d R . .
C34 C 0.5575(17) 0.4747(9) 0.2318(10) 0.036(3) Uani 1 1 d DU . .
H34A H 0.5907 0.5084 0.2446 0.043 Uiso 1 1 d R . .
H34B H 0.5935 0.4629 0.1843 0.043 Uiso 1 1 d R . .
C35 C 0.4225(16) 0.5088(11) 0.2443(10) 0.042(4) Uani 1 1 d DU . .
H35A H 0.3904 0.4767 0.2276 0.051 Uiso 1 1 d R . .
H35B H 0.4070 0.5499 0.2207 0.051 Uiso 1 1 d R . .
C36 C 0.3502(19) 0.5307(13) 0.3178(11) 0.055(4) Uani 1 1 d DU . .
H36A H 0.3657 0.4898 0.3417 0.066 Uiso 1 1 d R . .
H36B H 0.3809 0.5634 0.3346 0.066 Uiso 1 1 d R . .
C37 C 0.215(2) 0.5639(15) 0.3287(12) 0.067(5) Uani 1 1 d DU . .
H37A H 0.1869 0.5358 0.3041 0.080 Uiso 1 1 d R . .
H37B H 0.1980 0.6095 0.3130 0.080 Uiso 1 1 d R . .
C38 C 0.146(3) 0.5627(14) 0.4034(13) 0.077(5) Uani 1 1 d DU . .
H38A H 0.0613 0.5862 0.4102 0.092 Uiso 1 1 d R . .
H38B H 0.1759 0.5903 0.4274 0.092 Uiso 1 1 d R . .
C39 C 0.170(3) 0.4954(12) 0.4393(14) 0.076(5) Uani 1 1 d DU . .
H39A H 0.2504 0.4770 0.4434 0.092 Uiso 1 1 d R . .
H39B H 0.1135 0.5019 0.4836 0.092 Uiso 1 1 d R . .
C40 C 0.144(3) 0.4459(12) 0.3976(14) 0.068(5) Uani 1 1 d DU . .
H40A H 0.0764 0.4696 0.3822 0.082 Uiso 1 1 d R . .
H40B H 0.2138 0.4299 0.3586 0.082 Uiso 1 1 d R . .
C41 C 0.113(2) 0.3848(11) 0.4290(12) 0.053(4) Uani 1 1 d DU . .
H41A H 0.1075 0.3540 0.3960 0.063 Uiso 1 1 d R . .
H41B H 0.0348 0.3998 0.4624 0.063 Uiso 1 1 d R . .
C42 C 0.1979(16) 0.3390(12) 0.4632(11) 0.046(4) Uani 1 1 d DU . .
H42A H 0.1945 0.3671 0.5010 0.055 Uiso 1 1 d R . .
H42B H 0.1767 0.2986 0.4799 0.055 Uiso 1 1 d R . .
C43 C 0.3292(17) 0.3117(11) 0.4200(9) 0.039(4) Uani 1 1 d DU . .
H43A H 0.3825 0.2846 0.4435 0.046 Uiso 1 1 d R . .
H43B H 0.3538 0.3522 0.4075 0.046 Uiso 1 1 d R . .
C44 C 0.3480(18) 0.2721(10) 0.3546(9) 0.028(4) Uani 1 1 d DU . .
H44A H 0.3128 0.3025 0.3253 0.034 Uiso 1 1 d R . .
H44B H 0.3038 0.2391 0.3666 0.034 Uiso 1 1 d R . .
Os51 Os 0.10900(6) 0.36096(4) 0.12979(4) 0.0194(2) Uani 1 1 d . . .
Br51 Br 0.21033(19) 0.37344(12) 0.21936(10) 0.0351(5) Uani 1 1 d . . .
Br52 Br -0.09495(17) 0.44423(10) 0.19959(10) 0.0320(5) Uani 1 1 d . . .
P51 P 0.0449(4) 0.2709(3) 0.1895(2) 0.0240(11) Uani 1 1 d . . .
P52 P 0.1756(4) 0.4533(2) 0.0781(2) 0.0201(10) Uani 1 1 d . . .
C51 C 0.2506(18) 0.2960(10) 0.0793(11) 0.031(3) Uani 1 1 d . . .
O51 O 0.3340(14) 0.2542(7) 0.0455(8) 0.044(4) Uani 1 1 d . . .
C52 C 0.0280(19) 0.3564(10) 0.0650(12) 0.031(3) Uani 1 1 d . . .
O52 O -0.0222(12) 0.3571(7) 0.0325(8) 0.031(3) Uani 1 1 d . . .
C53 C -0.0243(17) 0.2272(10) 0.1436(9) 0.029(4) Uani 1 1 d DU . .
H53A H -0.0536 0.1943 0.1715 0.035 Uiso 1 1 d R . .
H53B H -0.0936 0.2619 0.1376 0.035 Uiso 1 1 d R . .
C54 C 0.0598(18) 0.1872(11) 0.0773(9) 0.038(4) Uani 1 1 d DU . .
H54A H 0.0944 0.2191 0.0505 0.046 Uiso 1 1 d R . .
H54B H 0.1255 0.1499 0.0836 0.046 Uiso 1 1 d R . .
C55 C -0.006(2) 0.1605(11) 0.0370(10) 0.046(4) Uani 1 1 d DU . .
H55A H 0.0496 0.1396 -0.0058 0.055 Uiso 1 1 d R . .
H55B H -0.0691 0.1982 0.0287 0.055 Uiso 1 1 d R . .
C56 C -0.068(2) 0.1090(11) 0.0718(12) 0.049(4) Uani 1 1 d DU . .
H56A H -0.1077 0.0934 0.0440 0.059 Uiso 1 1 d R . .
H56B H -0.1284 0.1305 0.1131 0.059 Uiso 1 1 d R . .
C57 C 0.023(2) 0.0456(11) 0.0874(15) 0.059(4) Uani 1 1 d DU . .
H57A H 0.0954 0.0346 0.0500 0.071 Uiso 1 1 d R . .
H57B H 0.0425 0.0589 0.1258 0.071 Uiso 1 1 d R . .
C58 C -0.019(2) -0.0181(11) 0.1013(16) 0.067(4) Uani 1 1 d DU . .
H58A H -0.0400 -0.0313 0.0632 0.081 Uiso 1 1 d R . .
H58B H -0.0910 -0.0075 0.1392 0.081 Uiso 1 1 d R . .
C59 C 0.082(3) -0.0765(14) 0.1133(13) 0.070(4) Uani 1 1 d DU . .
H59A H 0.1594 -0.0815 0.0808 0.084 Uiso 1 1 d R . .
H59B H 0.0608 -0.1180 0.1089 0.084 Uiso 1 1 d R . .
C60 C 0.100(3) -0.0682(15) 0.1814(12) 0.067(4) Uani 1 1 d DU . .
H60A H 0.1161 -0.1127 0.1994 0.080 Uiso 1 1 d R . .
H60B H 0.0239 -0.0390 0.2097 0.080 Uiso 1 1 d R . .
C61 C 0.197(2) -0.0352(14) 0.1844(11) 0.061(4) Uani 1 1 d DU . .
H61A H 0.2747 -0.0699 0.1685 0.074 Uiso 1 1 d R . .
H61B H 0.1963 0.0019 0.1554 0.074 Uiso 1 1 d R . .
C62 C 0.175(2) -0.0099(11) 0.2564(10) 0.044(4) Uani 1 1 d DU . .
H62A H 0.0961 0.0239 0.2722 0.053 Uiso 1 1 d R . .
H62B H 0.1759 -0.0475 0.2849 0.053 Uiso 1 1 d R . .
C63 C 0.2620(19) 0.0251(9) 0.2692(11) 0.039(3) Uani 1 1 d DU . .
H63A H 0.3401 -0.0094 0.2549 0.047 Uiso 1 1 d R . .
H63B H 0.2463 0.0394 0.3156 0.047 Uiso 1 1 d R . .
C64 C 0.2696(18) 0.0847(9) 0.2258(11) 0.042(4) Uani 1 1 d DU . .
H64A H 0.3243 0.1051 0.2375 0.051 Uiso 1 1 d R . .
H64B H 0.3043 0.0681 0.1792 0.051 Uiso 1 1 d R . .
C65 C 0.1501(16) 0.1429(9) 0.2376(11) 0.035(4) Uani 1 1 d DU . .
H65A H 0.1081 0.1564 0.2844 0.042 Uiso 1 1 d R . .
H65B H 0.0991 0.1262 0.2183 0.042 Uiso 1 1 d R . .
C66 C 0.1764(19) 0.2026(10) 0.1989(11) 0.034(4) Uani 1 1 d DU . .
H66A H 0.2320 0.1863 0.1549 0.040 Uiso 1 1 d R . .
H66B H 0.2167 0.2227 0.2232 0.040 Uiso 1 1 d R . .
C67 C -0.0686(19) 0.2911(12) 0.2716(10) 0.035(4) Uani 1 1 d DU . .
H67A H -0.1393 0.3266 0.2683 0.042 Uiso 1 1 d R . .
H67B H -0.0923 0.2503 0.2839 0.042 Uiso 1 1 d R . .
C68 C -0.0299(18) 0.3166(12) 0.3282(8) 0.039(4) Uani 1 1 d DU . .
H68A H 0.0431 0.2826 0.3307 0.046 Uiso 1 1 d R . .
H68B H -0.0122 0.3594 0.3183 0.046 Uiso 1 1 d R . .
C69 C -0.1240(17) 0.3236(12) 0.3964(10) 0.048(4) Uani 1 1 d DU . .
H69A H -0.1392 0.2799 0.4048 0.057 Uiso 1 1 d R . .
H69B H -0.0895 0.3333 0.4300 0.057 Uiso 1 1 d R . .
C70 C -0.245(2) 0.3778(11) 0.4057(15) 0.060(4) Uani 1 1 d DU . .
H70A H -0.2826 0.3687 0.3734 0.072 Uiso 1 1 d R . .
H70B H -0.2964 0.3748 0.4497 0.072 Uiso 1 1 d R . .
C71 C -0.234(2) 0.4505(11) 0.4004(16) 0.068(5) Uani 1 1 d DU . .
H71A H -0.1993 0.4569 0.3540 0.081 Uiso 1 1 d R . .
H71B H -0.1790 0.4555 0.4243 0.081 Uiso 1 1 d R . .
C72 C -0.357(3) 0.5051(13) 0.4311(18) 0.083(5) Uani 1 1 d DU . .
H72A H -0.3941 0.5008 0.4778 0.099 Uiso 1 1 d R . .
H72B H -0.4127 0.5039 0.4063 0.099 Uiso 1 1 d R . .
C73 C -0.332(4) 0.5740(15) 0.4178(16) 0.095(6) Uani 1 1 d DU . .
H73A H -0.3876 0.6098 0.4515 0.114 Uiso 1 1 d R . .
H73B H -0.2527 0.5649 0.4234 0.114 Uiso 1 1 d R . .
C74 C -0.320(4) 0.5986(17) 0.3475(16) 0.105(6) Uani 1 1 d DU . .
H74A H -0.3999 0.6079 0.3422 0.126 Uiso 1 1 d R . .
H74B H -0.2655 0.5623 0.3140 0.126 Uiso 1 1 d R . .
C75 C -0.278(3) 0.6628(16) 0.339(2) 0.106(6) Uani 1 1 d DU . .
H75A H -0.3216 0.6978 0.3757 0.128 Uiso 1 1 d R . .
H75B H -0.2873 0.6815 0.2978 0.128 Uiso 1 1 d R . .
C76 C -0.152(3) 0.6102(18) 0.328(2) 0.109(6) Uani 1 1 d DU . .
H76A H -0.1422 0.6273 0.3683 0.131 Uiso 1 1 d R . .
H76B H -0.1338 0.5608 0.3292 0.131 Uiso 1 1 d R . .
C77 C -0.070(4) 0.6452(19) 0.2804(13) 0.099(6) Uani 1 1 d DU . .
H77A H 0.0075 0.6207 0.2855 0.119 Uiso 1 1 d R . .
H77B H -0.0788 0.6937 0.2844 0.119 Uiso 1 1 d R . .
C78 C -0.055(3) 0.6214(15) 0.2084(14) 0.077(5) Uani 1 1 d DU . .
H78A H -0.1287 0.6124 0.2079 0.093 Uiso 1 1 d R . .
H78B H -0.0446 0.6585 0.1806 0.093 Uiso 1 1 d R . .
C79 C 0.063(2) 0.5641(11) 0.1790(10) 0.047(4) Uani 1 1 d DU . .
H79A H 0.0532 0.5276 0.2078 0.056 Uiso 1 1 d R . .
H79B H 0.1365 0.5736 0.1788 0.056 Uiso 1 1 d R . .
C80 C 0.072(2) 0.5397(10) 0.1083(9) 0.033(4) Uani 1 1 d DU . .
H80A H 0.0977 0.5724 0.0786 0.039 Uiso 1 1 d R . .
H80B H -0.0080 0.5414 0.1076 0.039 Uiso 1 1 d R . .
C81 C 0.1928(18) 0.4551(9) -0.0112(9) 0.028(4) Uani 1 1 d DU . .
H81A H 0.1129 0.4733 -0.0162 0.033 Uiso 1 1 d R . .
H81B H 0.2361 0.4875 -0.0283 0.033 Uiso 1 1 d R . .
C82 C 0.2598(18) 0.3875(9) -0.0554(8) 0.030(3) Uani 1 1 d DU . .
H82A H 0.3241 0.3598 -0.0392 0.037 Uiso 1 1 d R . .
H82B H 0.2031 0.3621 -0.0528 0.037 Uiso 1 1 d R . .
C83 C 0.315(2) 0.3999(9) -0.1280(8) 0.036(4) Uani 1 1 d DU . .
H83A H 0.3728 0.4248 -0.1300 0.043 Uiso 1 1 d R . .
H83B H 0.2509 0.4291 -0.1431 0.043 Uiso 1 1 d R . .
C84 C 0.3735(19) 0.3336(9) -0.1745(10) 0.043(4) Uani 1 1 d DU . .
H84A H 0.4063 0.3471 -0.2184 0.051 Uiso 1 1 d R . .
H84B H 0.3131 0.3126 -0.1771 0.051 Uiso 1 1 d R . .
C85 C 0.4765(17) 0.2806(10) -0.1562(12) 0.042(4) Uani 1 1 d DU . .
H85A H 0.4452 0.2655 -0.1128 0.051 Uiso 1 1 d R . .
H85B H 0.5073 0.2412 -0.1886 0.051 Uiso 1 1 d R . .
C86 C 0.5803(17) 0.3077(10) -0.1548(13) 0.047(4) Uani 1 1 d DU . .
H86A H 0.6016 0.3303 -0.1951 0.056 Uiso 1 1 d R . .
H86B H 0.5532 0.3416 -0.1172 0.056 Uiso 1 1 d R . .
C87 C 0.6883(18) 0.2504(11) -0.1468(14) 0.052(4) Uani 1 1 d DU . .
H87A H 0.7238 0.2210 -0.1880 0.063 Uiso 1 1 d R . .
H87B H 0.6642 0.2225 -0.1110 0.063 Uiso 1 1 d R . .
C88 C 0.787(2) 0.2779(13) -0.1354(12) 0.053(4) Uani 1 1 d DU . .
H88A H 0.8566 0.2399 -0.1351 0.064 Uiso 1 1 d R . .
H88B H 0.8122 0.3038 -0.1726 0.064 Uiso 1 1 d R . .
C89 C 0.746(2) 0.3291(11) -0.0737(9) 0.048(4) Uani 1 1 d DU . .
H89A H 0.6876 0.3717 -0.0772 0.057 Uiso 1 1 d R . .
H89B H 0.8162 0.3401 -0.0694 0.057 Uiso 1 1 d R . .
C90 C 0.691(2) 0.2990(11) -0.0095(9) 0.047(4) Uani 1 1 d DU . .
H90A H 0.7494 0.2562 -0.0057 0.056 Uiso 1 1 d R . .
H90B H 0.6201 0.2890 -0.0127 0.056 Uiso 1 1 d R . .
C91 C 0.6594(17) 0.3496(10) 0.0517(10) 0.043(4) Uani 1 1 d DU . .
H91A H 0.6443 0.3243 0.0909 0.051 Uiso 1 1 d R . .
H91B H 0.7279 0.3651 0.0504 0.051 Uiso 1 1 d R . .
C92 C 0.5477(14) 0.4117(11) 0.0593(12) 0.039(4) Uani 1 1 d DU . .
H92A H 0.5656 0.4392 0.0221 0.047 Uiso 1 1 d R . .
H92B H 0.5343 0.4393 0.0996 0.047 Uiso 1 1 d R . .
C93 C 0.4302(14) 0.3964(10) 0.0620(11) 0.036(4) Uani 1 1 d DU . .
H93A H 0.4357 0.3787 0.0183 0.043 Uiso 1 1 d R . .
H93B H 0.4203 0.3613 0.0925 0.043 Uiso 1 1 d R . .
C94 C 0.3195(15) 0.4605(10) 0.0862(10) 0.033(4) Uani 1 1 d DU . .
H94A H 0.3381 0.4975 0.0603 0.040 Uiso 1 1 d R . .
H94B H 0.3095 0.4735 0.1322 0.040 Uiso 1 1 d R . .


_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 C2 1.88(2) . ?
Os1 C1 1.89(3) . ?
Os1 P1 2.406(5) . ?
Os1 P2 2.411(5) . ?
Os1 Br1 2.574(2) . ?
Os1 Br2 2.577(2) . ?
P1 C17 1.81(2) . ?
P1 C16 1.836(19) . ?
P1 C3 1.844(19) . ?
P2 C31 1.82(2) . ?
P2 C44 1.83(2) . ?
P2 C30 1.85(2) . ?
C1 O1 1.07(3) . ?
C2 O2 1.15(3) . ?
C3 C4 1.538(17) . ?
C3 H3A 0.9704 . ?
C3 H3B 0.9650 . ?
C4 C5 1.527(17) . ?
C4 H4A 0.9706 . ?
C4 H4B 0.9644 . ?
C5 C6 1.528(17) . ?
C5 H5A 0.9647 . ?
C5 H5B 0.9699 . ?
C6 C7 1.525(18) . ?
C6 H6A 0.9651 . ?
C6 H6B 0.9697 . ?
C7 C8 1.533(18) . ?
C7 H7A 0.9647 . ?
C7 H7B 0.9710 . ?
C8 C9 1.547(18) . ?
C8 H8A 0.9646 . ?
C8 H8B 0.9708 . ?
C9 C10 1.539(18) . ?
C9 H9A 0.9692 . ?
C9 H9B 0.9705 . ?
C10 C11 1.534(18) . ?
C10 H10A 0.9696 . ?
C10 H10B 0.9658 . ?
C11 C12 1.528(18) . ?
C11 H11A 0.9695 . ?
C11 H11B 0.9658 . ?
C12 C13 1.531(18) . ?
C12 H12A 0.9662 . ?
C12 H12B 0.9691 . ?
C13 C14 1.538(17) . ?
C13 H13A 0.9651 . ?
C13 H13B 0.9683 . ?
C14 C15 1.526(17) . ?
C14 H14A 0.9653 . ?
C14 H14B 0.9693 . ?
C15 C16 1.529(17) . ?
C15 H15A 0.9687 . ?
C15 H15B 0.9656 . ?
C16 H16A 0.9670 . ?
C16 H16B 0.9682 . ?
C17 C18 1.531(18) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9653 . ?
C18 C19 1.530(18) . ?
C18 H18A 0.9649 . ?
C18 H18B 0.9711 . ?
C19 C20 1.530(19) . ?
C19 H19A 0.9709 . ?
C19 H19B 0.9642 . ?
C20 C21 1.522(19) . ?
C20 H20A 0.9716 . ?
C20 H20B 0.9648 . ?
C21 C22 1.525(19) . ?
C21 H21A 0.9645 . ?
C21 H21B 0.9695 . ?
C22 C23 1.55(2) . ?
C22 H21B 1.4707 . ?
C22 H22A 0.9662 . ?
C22 H22B 0.9677 . ?
C23 C24 1.534(19) . ?
C23 H23A 0.9688 . ?
C23 H23B 0.9662 . ?
C24 C25 1.550(19) . ?
C24 H24A 0.9683 . ?
C24 H24B 0.9663 . ?
C25 C26 1.536(19) . ?
C25 H25A 0.9640 . ?
C25 H25B 0.9661 . ?
C26 C27 1.524(18) . ?
C26 H26A 0.9677 . ?
C26 H26B 0.9642 . ?
C27 C28 1.529(18) . ?
C27 H27A 0.9641 . ?
C27 H27B 0.9676 . ?
C28 C29 1.536(17) . ?
C28 H28A 0.9690 . ?
C28 H28B 0.9641 . ?
C29 C30 1.536(17) . ?
C29 H29A 0.9696 . ?
C29 H29B 0.9690 . ?
C30 H30A 0.9694 . ?
C30 H30B 0.9694 . ?
C31 C32 1.529(17) . ?
C31 H31A 0.9668 . ?
C31 H31B 0.9636 . ?
C32 C33 1.539(17) . ?
C32 H32A 0.9663 . ?
C32 H32B 0.9638 . ?
C33 C34 1.523(17) . ?
C33 H33A 0.9639 . ?
C33 H33B 0.9661 . ?
C34 C35 1.522(17) . ?
C34 H34A 0.9688 . ?
C34 H34B 0.9658 . ?
C35 C36 1.533(18) . ?
C35 H35A 0.9685 . ?
C35 H35B 0.9713 . ?
C36 C37 1.527(18) . ?
C36 H36A 0.9712 . ?
C36 H36B 0.9686 . ?
C37 C38 1.553(18) . ?
C37 H37A 0.9679 . ?
C37 H37B 0.9714 . ?
C38 C39 1.561(19) . ?
C38 H38A 0.9645 . ?
C38 H38B 0.9679 . ?
C39 C40 1.498(19) . ?
C39 H39A 0.9652 . ?
C39 H39B 0.9652 . ?
C40 C41 1.509(18) . ?
C40 H40A 0.9668 . ?
C40 H40B 0.9641 . ?
C41 C42 1.520(18) . ?
C41 H41A 0.9675 . ?
C41 H41B 0.9638 . ?
C42 C43 1.522(17) . ?
C42 H42A 0.9670 . ?
C42 H42B 0.9712 . ?
C43 C44 1.524(17) . ?
C43 H43A 0.9682 . ?
C43 H43B 0.9710 . ?
C44 H44A 0.9696 . ?
C44 H44B 0.9697 . ?
Os51 C51 1.86(2) . ?
Os51 C52 1.91(3) . ?
Os51 P52 2.404(4) . ?
Os51 P51 2.415(5) . ?
Os51 Br52 2.572(2) . ?
Os51 Br51 2.577(2) . ?
P51 C67 1.83(2) . ?
P51 C53 1.83(2) . ?
P51 C66 1.843(19) . ?
P52 C81 1.829(19) . ?
P52 C80 1.83(2) . ?
P52 C94 1.849(19) . ?
C51 O51 1.16(2) . ?
C52 O52 1.03(3) . ?
C53 C54 1.532(17) . ?
C53 H53A 0.9705 . ?
C53 H53B 0.9669 . ?
C54 C55 1.519(18) . ?
C54 H54A 0.9703 . ?
C54 H54B 0.9674 . ?
C55 C56 1.532(18) . ?
C55 H55A 0.9646 . ?
C55 H55B 0.9678 . ?
C56 C57 1.537(18) . ?
C56 H56A 0.9672 . ?
C56 H56B 0.9643 . ?
C57 C58 1.530(18) . ?
C57 H57A 0.9642 . ?
C57 H57B 0.9671 . ?
C58 C59 1.520(18) . ?
C58 H58A 0.9671 . ?
C58 H58B 0.9642 . ?
C59 C60 1.527(18) . ?
C59 H59A 0.9644 . ?
C59 H59B 0.9701 . ?
C60 C61 1.530(19) . ?
C60 H60A 0.9714 . ?
C60 H60B 0.9639 . ?
C61 C62 1.524(18) . ?
C61 H61A 0.9648 . ?
C61 H61B 0.9713 . ?
C62 C63 1.523(18) . ?
C62 H62A 0.9647 . ?
C62 H62B 0.9713 . ?
C63 C64 1.526(17) . ?
C63 H63A 0.9649 . ?
C63 H63B 0.9664 . ?
C64 C65 1.536(17) . ?
C64 H64A 0.9674 . ?
C64 H64B 0.9656 . ?
C65 C66 1.525(17) . ?
C65 H65A 0.9654 . ?
C65 H65B 0.9672 . ?
C66 H66A 0.9647 . ?
C66 H66B 0.9674 . ?
C67 C68 1.541(17) . ?
C67 H67A 0.9667 . ?
C67 H67B 0.9710 . ?
C68 C69 1.528(17) . ?
C68 H68A 0.9664 . ?
C68 H68B 0.9712 . ?
C69 C70 1.515(18) . ?
C69 H69A 0.9712 . ?
C69 H69B 0.9671 . ?
C70 C71 1.536(18) . ?
C70 H70A 0.9672 . ?
C70 H70B 0.9663 . ?
C71 C72 1.541(19) . ?
C71 H71A 0.9673 . ?
C71 H71B 0.9667 . ?
C72 C73 1.540(19) . ?
C72 H72A 0.9670 . ?
C72 H72B 0.9667 . ?
C73 C74 1.538(19) . ?
C73 H73A 0.9651 . ?
C73 H73B 0.9653 . ?
C74 C75 1.539(19) . ?
C74 H74A 0.9652 . ?
C74 H74B 0.9652 . ?
C75 C76 1.542(19) . ?
C75 H75A 0.9656 . ?
C75 H75B 0.9692 . ?
C76 C77 1.525(19) . ?
C76 H76A 0.9670 . ?
C76 H76B 0.9708 . ?
C77 C78 1.533(19) . ?
C77 H77A 0.9657 . ?
C77 H77B 0.9706 . ?
C78 C79 1.522(18) . ?
C78 H78A 0.9660 . ?
C78 H78B 0.9713 . ?
C79 C80 1.530(17) . ?
C79 H79A 0.9712 . ?
C79 H79B 0.9661 . ?
C80 H80A 0.9706 . ?
C80 H80B 0.9652 . ?
C81 C82 1.532(17) . ?
C81 H81A 0.9653 . ?
C81 H81B 0.9698 . ?
C82 C83 1.532(17) . ?
C82 H82A 0.9673 . ?
C82 H82B 0.9681 . ?
C83 C84 1.532(17) . ?
C83 H83A 0.9680 . ?
C83 H83B 0.9674 . ?
C84 C85 1.534(18) . ?
C84 H84A 0.9682 . ?
C84 H84B 0.9675 . ?
C85 C86 1.526(17) . ?
C85 H85A 0.9684 . ?
C85 H85B 0.9668 . ?
C86 C87 1.529(18) . ?
C86 H86A 0.9695 . ?
C86 H86B 0.9663 . ?
C87 C88 1.540(18) . ?
C87 H87A 0.9656 . ?
C87 H87B 0.9701 . ?
C88 C89 1.537(18) . ?
C88 H88A 0.9668 . ?
C88 H88B 0.9699 . ?
C89 C90 1.534(18) . ?
C89 H89A 0.9681 . ?
C89 H89B 0.9663 . ?
C90 C91 1.539(18) . ?
C90 H90A 0.9683 . ?
C90 H90B 0.9662 . ?
C91 C92 1.529(17) . ?
C91 H91A 0.9699 . ?
C91 H91B 0.9667 . ?
C92 C93 1.533(17) . ?
C92 H92A 0.9702 . ?
C92 H92B 0.9666 . ?
C93 C94 1.535(17) . ?
C93 H93A 0.9666 . ?
C93 H93B 0.9711 . ?
C94 H94A 0.9712 . ?
C94 H94B 0.9666 . ?

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
C2 Os1 C1 91.9(10) . . ?
C2 Os1 P1 91.0(6) . . ?
C1 Os1 P1 91.5(6) . . ?
C2 Os1 P2 90.3(6) . . ?
C1 Os1 P2 92.6(6) . . ?
P1 Os1 P2 175.62(17) . . ?
C2 Os1 Br1 176.1(7) . . ?
C1 Os1 Br1 85.7(7) . . ?
P1 Os1 Br1 92.11(12) . . ?
P2 Os1 Br1 86.75(13) . . ?
C2 Os1 Br2 90.6(7) . . ?
C1 Os1 Br2 177.4(7) . . ?
P1 Os1 Br2 87.62(12) . . ?
P2 Os1 Br2 88.19(13) . . ?
Br1 Os1 Br2 91.83(7) . . ?
C17 P1 C16 100.0(9) . . ?
C17 P1 C3 101.5(9) . . ?
C16 P1 C3 104.6(9) . . ?
C17 P1 Os1 115.7(7) . . ?
C16 P1 Os1 115.4(6) . . ?
C3 P1 Os1 117.3(6) . . ?
C31 P2 C44 104.6(10) . . ?
C31 P2 C30 105.6(9) . . ?
C44 P2 C30 100.5(8) . . ?
C31 P2 Os1 111.2(6) . . ?
C44 P2 Os1 112.7(6) . . ?
C30 P2 Os1 120.6(7) . . ?
O1 C1 Os1 176(2) . . ?
O2 C2 Os1 175(2) . . ?
C4 C3 P1 116.2(13) . . ?
C4 C3 H3A 105.0 . . ?
P1 C3 H3A 107.1 . . ?
C4 C3 H3B 112.4 . . ?
P1 C3 H3B 108.2 . . ?
H3A C3 H3B 107.5 . . ?
C5 C4 C3 112.6(15) . . ?
C5 C4 H4A 106.0 . . ?
C3 C4 H4A 105.3 . . ?
C5 C4 H4B 111.5 . . ?
C3 C4 H4B 113.0 . . ?
H4A C4 H4B 107.8 . . ?
C4 C5 C6 116.3(17) . . ?
C4 C5 H5A 110.3 . . ?
C6 C5 H5A 108.2 . . ?
C4 C5 H5B 105.2 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 107.3 . . ?
C7 C6 C5 113.3(18) . . ?
C7 C6 H6A 107.6 . . ?
C5 C6 H6A 107.9 . . ?
C7 C6 H6B 111.0 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 107.6 . . ?
C6 C7 C8 113.1(18) . . ?
C6 C7 H7A 108.6 . . ?
C8 C7 H7A 109.1 . . ?
C6 C7 H7B 106.6 . . ?
C8 C7 H7B 111.6 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 C9 111.9(19) . . ?
C7 C8 H8A 109.0 . . ?
C9 C8 H8A 108.7 . . ?
C7 C8 H8B 111.2 . . ?
C9 C8 H8B 108.3 . . ?
H8A C8 H8B 107.5 . . ?
C10 C9 C8 116(2) . . ?
C10 C9 H9A 107.1 . . ?
C8 C9 H9A 109.2 . . ?
C10 C9 H9B 107.3 . . ?
C8 C9 H9B 108.8 . . ?
H9A C9 H9B 108.1 . . ?
C11 C10 C9 113.2(19) . . ?
C11 C10 H10A 107.0 . . ?
C9 C10 H10A 106.3 . . ?
C11 C10 H10B 111.4 . . ?
C9 C10 H10B 111.4 . . ?
H10A C10 H10B 107.1 . . ?
C12 C11 C10 113.0(17) . . ?
C12 C11 H11A 110.0 . . ?
C10 C11 H11A 107.6 . . ?
C12 C11 H11B 106.6 . . ?
C10 C11 H11B 112.1 . . ?
H11A C11 H11B 107.4 . . ?
C11 C12 C13 114.2(18) . . ?
C11 C12 H12A 106.7 . . ?
C13 C12 H12A 108.1 . . ?
C11 C12 H12B 110.1 . . ?
C13 C12 H12B 110.0 . . ?
H12A C12 H12B 107.4 . . ?
C12 C13 C14 114.0(18) . . ?
C12 C13 H13A 107.5 . . ?
C14 C13 H13A 108.1 . . ?
C12 C13 H13B 109.4 . . ?
C14 C13 H13B 110.1 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C13 113.3(16) . . ?
C15 C14 H14A 110.0 . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 107.5 . . ?
H14A C14 H14B 107.7 . . ?
C14 C15 C16 110.8(14) . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15A 110.0 . . ?
C14 C15 H15B 110.4 . . ?
C16 C15 H15B 108.4 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 P1 116.6(13) . . ?
C15 C16 H16A 108.8 . . ?
P1 C16 H16A 109.1 . . ?
C15 C16 H16B 106.5 . . ?
P1 C16 H16B 108.5 . . ?
H16A C16 H16B 106.9 . . ?
C18 C17 P1 115.8(15) . . ?
C18 C17 H17A 109.1 . . ?
P1 C17 H17A 107.5 . . ?
C18 C17 H17B 108.9 . . ?
P1 C17 H17B 108.1 . . ?
H17A C17 H17B 107.2 . . ?
C19 C18 C17 110.8(18) . . ?
C19 C18 H18A 109.3 . . ?
C17 C18 H18A 109.6 . . ?
C19 C18 H18B 108.1 . . ?
C17 C18 H18B 110.8 . . ?
H18A C18 H18B 108.2 . . ?
C18 C19 C20 110(2) . . ?
C18 C19 H19A 107.8 . . ?
C20 C19 H19A 106.4 . . ?
C18 C19 H19B 108.3 . . ?
C20 C19 H19B 116.8 . . ?
H19A C19 H19B 107.7 . . ?
C21 C20 C19 138(3) . . ?
C21 C20 H20A 91.4 . . ?
C19 C20 H20A 108.2 . . ?
C21 C20 H20B 92.8 . . ?
C19 C20 H20B 114.8 . . ?
H20A C20 H20B 107.4 . . ?
C20 C21 C22 108(3) . . ?
C20 C21 H21A 130.2 . . ?
C22 C21 H21A 121.6 . . ?
C20 C21 H21B 84.0 . . ?
C22 C21 H21B 68.1 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 C23 90(3) . . ?
C21 C22 H21B 37.7 . . ?
C23 C22 H21B 126.1 . . ?
C21 C22 H22A 108.2 . . ?
C23 C22 H22A 96.8 . . ?
H21B C22 H22A 108.3 . . ?
C21 C22 H22B 139.1 . . ?
C23 C22 H22B 105.0 . . ?
H21B C22 H22B 111.0 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C22 91(3) . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23A 115.2 . . ?
C24 C23 H23B 118.6 . . ?
C22 C23 H23B 107.5 . . ?
H23A C23 H23B 113.9 . . ?
C23 C24 C25 115(3) . . ?
C23 C24 H24A 104.3 . . ?
C25 C24 H24A 106.7 . . ?
C23 C24 H24B 106.5 . . ?
C25 C24 H24B 115.3 . . ?
H24A C24 H24B 108.3 . . ?
C26 C25 C24 116(3) . . ?
C26 C25 H25A 105.9 . . ?
C24 C25 H25A 106.3 . . ?
C26 C25 H25B 108.0 . . ?
C24 C25 H25B 112.8 . . ?
H25A C25 H25B 106.8 . . ?
C27 C26 C25 115(2) . . ?
C27 C26 H26A 106.6 . . ?
C25 C26 H26A 109.3 . . ?
C27 C26 H26B 109.6 . . ?
C25 C26 H26B 108.3 . . ?
H26A C26 H26B 108.1 . . ?
C26 C27 C28 114(2) . . ?
C26 C27 H27A 109.8 . . ?
C28 C27 H27A 108.3 . . ?
C26 C27 H27B 106.3 . . ?
C28 C27 H27B 109.9 . . ?
H27A C27 H27B 108.1 . . ?
C27 C28 C29 117(2) . . ?
C27 C28 H28A 108.8 . . ?
C29 C28 H28A 109.6 . . ?
C27 C28 H28B 106.9 . . ?
C29 C28 H28B 107.2 . . ?
H28A C28 H28B 106.9 . . ?
C28 C29 C30 110.4(16) . . ?
C28 C29 H29A 110.4 . . ?
C30 C29 H29A 108.6 . . ?
C28 C29 H29B 108.6 . . ?
C30 C29 H29B 110.7 . . ?
H29A C29 H29B 108.1 . . ?
C29 C30 P2 114.7(13) . . ?
C29 C30 H30A 110.0 . . ?
P2 C30 H30A 108.1 . . ?
C29 C30 H30B 108.2 . . ?
P2 C30 H30B 107.8 . . ?
H30A C30 H30B 107.8 . . ?
C32 C31 P2 119.3(14) . . ?
C32 C31 H31A 108.9 . . ?
P2 C31 H31A 109.9 . . ?
C32 C31 H31B 106.3 . . ?
P2 C31 H31B 104.8 . . ?
H31A C31 H31B 106.9 . . ?
C31 C32 C33 109.5(15) . . ?
C31 C32 H32A 111.3 . . ?
C33 C32 H32A 110.7 . . ?
C31 C32 H32B 108.9 . . ?
C33 C32 H32B 108.4 . . ?
H32A C32 H32B 108.0 . . ?
C34 C33 C32 114.2(15) . . ?
C34 C33 H33A 104.6 . . ?
C32 C33 H33A 107.3 . . ?
C34 C33 H33B 113.4 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 107.3 . . ?
C35 C34 C33 111.9(17) . . ?
C35 C34 H34A 107.9 . . ?
C33 C34 H34A 107.6 . . ?
C35 C34 H34B 107.3 . . ?
C33 C34 H34B 114.2 . . ?
H34A C34 H34B 107.7 . . ?
C34 C35 C36 114.5(18) . . ?
C34 C35 H35A 108.2 . . ?
C36 C35 H35A 108.4 . . ?
C34 C35 H35B 111.4 . . ?
C36 C35 H35B 106.2 . . ?
H35A C35 H35B 108.0 . . ?
C37 C36 C35 113.2(18) . . ?
C37 C36 H36A 111.5 . . ?
C35 C36 H36A 106.6 . . ?
C37 C36 H36B 108.4 . . ?
C35 C36 H36B 108.8 . . ?
H36A C36 H36B 108.2 . . ?
C36 C37 C38 109(2) . . ?
C36 C37 H37A 108.9 . . ?
C38 C37 H37A 105.5 . . ?
C36 C37 H37B 111.5 . . ?
C38 C37 H37B 113.5 . . ?
H37A C37 H37B 108.2 . . ?
C37 C38 C39 121(2) . . ?
C37 C38 H38A 108.1 . . ?
C39 C38 H38A 113.7 . . ?
C37 C38 H38B 104.7 . . ?
C39 C38 H38B 100.3 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 C38 103(2) . . ?
C40 C39 H39A 110.7 . . ?
C38 C39 H39A 115.7 . . ?
C40 C39 H39B 108.7 . . ?
C38 C39 H39B 110.6 . . ?
H39A C39 H39B 107.5 . . ?
C39 C40 C41 118(2) . . ?
C39 C40 H40A 109.8 . . ?
C41 C40 H40A 104.7 . . ?
C39 C40 H40B 107.4 . . ?
C41 C40 H40B 108.9 . . ?
H40A C40 H40B 107.1 . . ?
C40 C41 C42 118(2) . . ?
C40 C41 H41A 110.8 . . ?
C42 C41 H41A 104.4 . . ?
C40 C41 H41B 109.8 . . ?
C42 C41 H41B 105.6 . . ?
H41A C41 H41B 107.3 . . ?
C41 C42 C43 114.7(18) . . ?
C41 C42 H42A 105.8 . . ?
C43 C42 H42A 108.1 . . ?
C41 C42 H42B 115.1 . . ?
C43 C42 H42B 104.9 . . ?
H42A C42 H42B 107.8 . . ?
C42 C43 C44 114.4(17) . . ?
C42 C43 H43A 113.4 . . ?
C44 C43 H43A 109.5 . . ?
C42 C43 H43B 105.3 . . ?
C44 C43 H43B 105.6 . . ?
H43A C43 H43B 108.1 . . ?
C43 C44 P2 114.0(13) . . ?
C43 C44 H44A 110.4 . . ?
P2 C44 H44A 108.5 . . ?
C43 C44 H44B 105.5 . . ?
P2 C44 H44B 110.3 . . ?
H44A C44 H44B 108.1 . . ?
C51 Os51 C52 92.3(9) . . ?
C51 Os51 P52 91.6(6) . . ?
C52 Os51 P52 91.1(6) . . ?
C51 Os51 P51 89.8(6) . . ?
C52 Os51 P51 93.1(6) . . ?
P52 Os51 P51 175.52(17) . . ?
C51 Os51 Br52 175.8(6) . . ?
C52 Os51 Br52 85.4(6) . . ?
P52 Os51 Br52 92.02(12) . . ?
P51 Os51 Br52 86.83(13) . . ?
C51 Os51 Br51 90.4(7) . . ?
C52 Os51 Br51 177.0(6) . . ?
P52 Os51 Br51 87.62(12) . . ?
P51 Os51 Br51 88.10(13) . . ?
Br52 Os51 Br51 91.89(7) . . ?
C67 P51 C53 101.4(8) . . ?
C67 P51 C66 106.7(10) . . ?
C53 P51 C66 104.4(10) . . ?
C67 P51 Os51 120.2(7) . . ?
C53 P51 Os51 112.2(6) . . ?
C66 P51 Os51 110.5(6) . . ?
C81 P52 C80 100.2(8) . . ?
C81 P52 C94 104.7(9) . . ?
C80 P52 C94 102.0(9) . . ?
C81 P52 Os51 115.2(6) . . ?
C80 P52 Os51 115.6(7) . . ?
C94 P52 Os51 116.9(6) . . ?
O51 C51 Os51 175(2) . . ?
O52 C52 Os51 175.2(19) . . ?
C54 C53 P51 115.7(13) . . ?
C54 C53 H53A 106.6 . . ?
P51 C53 H53A 108.2 . . ?
C54 C53 H53B 111.8 . . ?
P51 C53 H53B 106.3 . . ?
H53A C53 H53B 107.9 . . ?
C55 C54 C53 113.3(17) . . ?
C55 C54 H54A 106.2 . . ?
C53 C54 H54A 107.0 . . ?
C55 C54 H54B 110.0 . . ?
C53 C54 H54B 112.0 . . ?
H54A C54 H54B 108.0 . . ?
C54 C55 C56 114.0(18) . . ?
C54 C55 H55A 109.7 . . ?
C56 C55 H55A 109.2 . . ?
C54 C55 H55B 110.0 . . ?
C56 C55 H55B 106.4 . . ?
H55A C55 H55B 107.3 . . ?
C55 C56 C57 112.0(19) . . ?
C55 C56 H56A 110.6 . . ?
C57 C56 H56A 107.7 . . ?
C55 C56 H56B 109.9 . . ?
C57 C56 H56B 108.5 . . ?
H56A C56 H56B 107.9 . . ?
C58 C57 C56 116.3(19) . . ?
C58 C57 H57A 109.6 . . ?
C56 C57 H57A 107.0 . . ?
C58 C57 H57B 108.9 . . ?
C56 C57 H57B 107.3 . . ?
H57A C57 H57B 107.3 . . ?
C59 C58 C57 110(2) . . ?
C59 C58 H58A 109.6 . . ?
C57 C58 H58A 109.2 . . ?
C59 C58 H58B 111.2 . . ?
C57 C58 H58B 109.8 . . ?
H58A C58 H58B 107.5 . . ?
C58 C59 C60 113(2) . . ?
C58 C59 H59A 112.6 . . ?
C60 C59 H59A 106.0 . . ?
C58 C59 H59B 106.0 . . ?
C60 C59 H59B 110.6 . . ?
H59A C59 H59B 108.1 . . ?
C59 C60 C61 117(2) . . ?
C59 C60 H60A 108.6 . . ?
C61 C60 H60A 110.2 . . ?
C59 C60 H60B 105.8 . . ?
C61 C60 H60B 107.2 . . ?
H60A C60 H60B 107.7 . . ?
C62 C61 C60 109.3(18) . . ?
C62 C61 H61A 109.5 . . ?
C60 C61 H61A 107.8 . . ?
C62 C61 H61B 111.2 . . ?
C60 C61 H61B 110.6 . . ?
H61A C61 H61B 108.3 . . ?
C63 C62 C61 116.9(19) . . ?
C63 C62 H62A 105.0 . . ?
C61 C62 H62A 109.0 . . ?
C63 C62 H62B 106.8 . . ?
C61 C62 H62B 110.7 . . ?
H62A C62 H62B 108.0 . . ?
C62 C63 C64 111.6(18) . . ?
C62 C63 H63A 104.7 . . ?
C64 C63 H63A 107.2 . . ?
C62 C63 H63B 114.4 . . ?
C64 C63 H63B 111.0 . . ?
H63A C63 H63B 107.4 . . ?
C63 C64 C65 114.9(16) . . ?
C63 C64 H64A 106.9 . . ?
C65 C64 H64A 105.6 . . ?
C63 C64 H64B 110.5 . . ?
C65 C64 H64B 111.0 . . ?
H64A C64 H64B 107.4 . . ?
C66 C65 C64 108.5(15) . . ?
C66 C65 H65A 112.7 . . ?
C64 C65 H65A 112.7 . . ?
C66 C65 H65B 107.1 . . ?
C64 C65 H65B 107.1 . . ?
H65A C65 H65B 108.4 . . ?
C65 C66 P51 116.7(13) . . ?
C65 C66 H66A 110.7 . . ?
P51 C66 H66A 107.9 . . ?
C65 C66 H66B 105.4 . . ?
P51 C66 H66B 108.2 . . ?
H66A C66 H66B 107.5 . . ?
C68 C67 P51 115.9(13) . . ?
C68 C67 H67A 107.1 . . ?
P51 C67 H67A 108.7 . . ?
C68 C67 H67B 109.2 . . ?
P51 C67 H67B 107.9 . . ?
H67A C67 H67B 107.7 . . ?
C69 C68 C67 112.3(17) . . ?
C69 C68 H68A 106.5 . . ?
C67 C68 H68A 108.1 . . ?
C69 C68 H68B 111.2 . . ?
C67 C68 H68B 110.3 . . ?
H68A C68 H68B 108.2 . . ?
C70 C69 C68 116(2) . . ?
C70 C69 H69A 107.6 . . ?
C68 C69 H69A 109.2 . . ?
C70 C69 H69B 108.9 . . ?
C68 C69 H69B 108.0 . . ?
H69A C69 H69B 106.8 . . ?
C69 C70 C71 112(2) . . ?
C69 C70 H70A 110.8 . . ?
C71 C70 H70A 109.2 . . ?
C69 C70 H70B 107.2 . . ?
C71 C70 H70B 109.3 . . ?
H70A C70 H70B 107.9 . . ?
C70 C71 C72 111(2) . . ?
C70 C71 H71A 109.1 . . ?
C72 C71 H71A 111.0 . . ?
C70 C71 H71B 109.1 . . ?
C72 C71 H71B 108.6 . . ?
H71A C71 H71B 107.9 . . ?
C73 C72 C71 104(2) . . ?
C73 C72 H72A 113.6 . . ?
C71 C72 H72A 113.5 . . ?
C73 C72 H72B 104.6 . . ?
C71 C72 H72B 110.9 . . ?
H72A C72 H72B 109.4 . . ?
C74 C73 C72 118(3) . . ?
C74 C73 H73A 110.8 . . ?
C72 C73 H73A 111.1 . . ?
C74 C73 H73B 105.7 . . ?
C72 C73 H73B 102.4 . . ?
H73A C73 H73B 107.8 . . ?
C73 C74 C75 112(3) . . ?
C73 C74 H74A 105.4 . . ?
C75 C74 H74A 111.3 . . ?
C73 C74 H74B 110.5 . . ?
C75 C74 H74B 109.9 . . ?
H74A C74 H74B 107.6 . . ?
C74 C75 C76 84(3) . . ?
C74 C75 H75A 113.1 . . ?
C76 C75 H75A 127.2 . . ?
C74 C75 H75B 108.8 . . ?
C76 C75 H75B 111.5 . . ?
H75A C75 H75B 109.3 . . ?
C77 C76 C75 102(3) . . ?
C77 C76 H76A 95.7 . . ?
C75 C76 H76A 93.3 . . ?
C77 C76 H76B 124.2 . . ?
C75 C76 H76B 126.2 . . ?
H76A C76 H76B 106.9 . . ?
C76 C77 C78 109(3) . . ?
C76 C77 H77A 100.9 . . ?
C78 C77 H77A 102.0 . . ?
C76 C77 H77B 124.7 . . ?
C78 C77 H77B 110.5 . . ?
H77A C77 H77B 107.0 . . ?
C79 C78 C77 111(2) . . ?
C79 C78 H78A 117.1 . . ?
C77 C78 H78A 107.7 . . ?
C79 C78 H78B 103.0 . . ?
C77 C78 H78B 108.3 . . ?
H78A C78 H78B 108.9 . . ?
C78 C79 C80 109.8(18) . . ?
C78 C79 H79A 102.7 . . ?
C80 C79 H79A 108.4 . . ?
C78 C79 H79B 116.8 . . ?
C80 C79 H79B 110.0 . . ?
H79A C79 H79B 108.7 . . ?
C79 C80 P52 114.9(14) . . ?
C79 C80 H80A 107.4 . . ?
P52 C80 H80A 109.5 . . ?
C79 C80 H80B 108.0 . . ?
P52 C80 H80B 109.1 . . ?
H80A C80 H80B 107.7 . . ?
C82 C81 P52 117.7(13) . . ?
C82 C81 H81A 109.3 . . ?
P52 C81 H81A 107.6 . . ?
C82 C81 H81B 107.2 . . ?
P52 C81 H81B 107.7 . . ?
H81A C81 H81B 106.9 . . ?
C83 C82 C81 111.7(14) . . ?
C83 C82 H82A 108.2 . . ?
C81 C82 H82A 110.6 . . ?
C83 C82 H82B 110.3 . . ?
C81 C82 H82B 108.3 . . ?
H82A C82 H82B 107.7 . . ?
C82 C83 C84 112.8(16) . . ?
C82 C83 H83A 109.6 . . ?
C84 C83 H83A 111.4 . . ?
C82 C83 H83B 107.5 . . ?
C84 C83 H83B 108.0 . . ?
H83A C83 H83B 107.3 . . ?
C83 C84 C85 114.7(18) . . ?
C83 C84 H84A 106.0 . . ?
C85 C84 H84A 108.2 . . ?
C83 C84 H84B 110.7 . . ?
C85 C84 H84B 109.5 . . ?
H84A C84 H84B 107.4 . . ?
C86 C85 C84 113.6(17) . . ?
C86 C85 H85A 108.5 . . ?
C84 C85 H85A 109.6 . . ?
C86 C85 H85B 109.1 . . ?
C84 C85 H85B 108.1 . . ?
H85A C85 H85B 107.8 . . ?
C85 C86 C87 111.5(16) . . ?
C85 C86 H86A 108.2 . . ?
C87 C86 H86A 112.2 . . ?
C85 C86 H86B 109.3 . . ?
C87 C86 H86B 107.9 . . ?
H86A C86 H86B 107.8 . . ?
C86 C87 C88 112.3(18) . . ?
C86 C87 H87A 107.4 . . ?
C88 C87 H87A 107.4 . . ?
C86 C87 H87B 112.1 . . ?
C88 C87 H87B 109.6 . . ?
H87A C87 H87B 107.8 . . ?
C89 C88 C87 115.6(19) . . ?
C89 C88 H88A 111.2 . . ?
C87 C88 H88A 109.6 . . ?
C89 C88 H88B 104.1 . . ?
C87 C88 H88B 108.2 . . ?
H88A C88 H88B 107.6 . . ?
C90 C89 C88 111.7(18) . . ?
C90 C89 H89A 108.0 . . ?
C88 C89 H89A 112.6 . . ?
C90 C89 H89B 108.4 . . ?
C88 C89 H89B 108.6 . . ?
H89A C89 H89B 107.4 . . ?
C89 C90 C91 110.5(18) . . ?
C89 C90 H90A 108.7 . . ?
C91 C90 H90A 110.2 . . ?
C89 C90 H90B 109.1 . . ?
C91 C90 H90B 110.4 . . ?
H90A C90 H90B 107.8 . . ?
C92 C91 C90 114.5(17) . . ?
C92 C91 H91A 108.3 . . ?
C90 C91 H91A 107.0 . . ?
C92 C91 H91B 109.4 . . ?
C90 C91 H91B 109.6 . . ?
H91A C91 H91B 107.6 . . ?
C91 C92 C93 116.4(17) . . ?
C91 C92 H92A 108.2 . . ?
C93 C92 H92A 108.0 . . ?
C91 C92 H92B 107.9 . . ?
C93 C92 H92B 108.6 . . ?
H92A C92 H92B 107.3 . . ?
C92 C93 C94 111.7(16) . . ?
C92 C93 H93A 109.5 . . ?
C94 C93 H93A 109.9 . . ?
C92 C93 H93B 108.8 . . ?
C94 C93 H93B 108.9 . . ?
H93A C93 H93B 107.9 . . ?
C93 C94 P52 116.2(14) . . ?
C93 C94 H94A 107.3 . . ?
P52 C94 H94A 107.8 . . ?
C93 C94 H94B 108.3 . . ?
P52 C94 H94B 109.8 . . ?
H94A C94 H94B 107.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Os1 P1 C17 -178.5(10) . . . . ?
C1 Os1 P1 C17 89.5(10) . . . . ?
P2 Os1 P1 C17 -71(2) . . . . ?
Br1 Os1 P1 C17 3.7(7) . . . . ?
Br2 Os1 P1 C17 -88.0(7) . . . . ?
C2 Os1 P1 C16 65.3(10) . . . . ?
C1 Os1 P1 C16 -26.7(10) . . . . ?
P2 Os1 P1 C16 173(2) . . . . ?
Br1 Os1 P1 C16 -112.5(7) . . . . ?
Br2 Os1 P1 C16 155.8(7) . . . . ?
C2 Os1 P1 C3 -58.7(10) . . . . ?
C1 Os1 P1 C3 -150.6(10) . . . . ?
P2 Os1 P1 C3 49(2) . . . . ?
Br1 Os1 P1 C3 123.6(7) . . . . ?
Br2 Os1 P1 C3 31.8(7) . . . . ?
C2 Os1 P2 C31 34.4(11) . . . . ?
C1 Os1 P2 C31 126.3(11) . . . . ?
P1 Os1 P2 C31 -73(2) . . . . ?
Br1 Os1 P2 C31 -148.1(8) . . . . ?
Br2 Os1 P2 C31 -56.2(8) . . . . ?
C2 Os1 P2 C44 -82.7(9) . . . . ?
C1 Os1 P2 C44 9.3(9) . . . . ?
P1 Os1 P2 C44 170(2) . . . . ?
Br1 Os1 P2 C44 94.9(6) . . . . ?
Br2 Os1 P2 C44 -173.2(6) . . . . ?
C2 Os1 P2 C30 158.8(10) . . . . ?
C1 Os1 P2 C30 -109.3(9) . . . . ?
P1 Os1 P2 C30 51(2) . . . . ?
Br1 Os1 P2 C30 -23.7(7) . . . . ?
Br2 Os1 P2 C30 68.2(7) . . . . ?
C2 Os1 C1 O1 -168(24) . . . . ?
P1 Os1 C1 O1 -77(24) . . . . ?
P2 Os1 C1 O1 101(24) . . . . ?
Br1 Os1 C1 O1 15(24) . . . . ?
Br2 Os1 C1 O1 -7(35) . . . . ?
C1 Os1 C2 O2 -33(19) . . . . ?
P1 Os1 C2 O2 -124(19) . . . . ?
P2 Os1 C2 O2 60(19) . . . . ?
Br1 Os1 C2 O2 20(27) . . . . ?
Br2 Os1 C2 O2 148(19) . . . . ?
C17 P1 C3 C4 -177.3(15) . . . . ?
C16 P1 C3 C4 -73.6(15) . . . . ?
Os1 P1 C3 C4 55.6(16) . . . . ?
P1 C3 C4 C5 169.6(14) . . . . ?
C3 C4 C5 C6 163.8(18) . . . . ?
C4 C5 C6 C7 59(3) . . . . ?
C5 C6 C7 C8 72(3) . . . . ?
C6 C7 C8 C9 176.2(19) . . . . ?
C7 C8 C9 C10 58(3) . . . . ?
C8 C9 C10 C11 55(3) . . . . ?
C9 C10 C11 C12 -172(2) . . . . ?
C10 C11 C12 C13 -170(2) . . . . ?
C11 C12 C13 C14 -58(3) . . . . ?
C12 C13 C14 C15 -59(3) . . . . ?
C13 C14 C15 C16 -173.2(18) . . . . ?
C14 C15 C16 P1 -155.6(15) . . . . ?
C17 P1 C16 C15 -172.2(15) . . . . ?
C3 P1 C16 C15 83.0(16) . . . . ?
Os1 P1 C16 C15 -47.3(16) . . . . ?
C16 P1 C17 C18 -164.7(16) . . . . ?
C3 P1 C17 C18 -57.5(18) . . . . ?
Os1 P1 C17 C18 70.7(17) . . . . ?
P1 C17 C18 C19 -158.4(19) . . . . ?
C17 C18 C19 C20 174(3) . . . . ?
C18 C19 C20 C21 -156(5) . . . . ?
C19 C20 C21 C22 31(7) . . . . ?
C20 C21 C22 C23 118(4) . . . . ?
C21 C22 C23 C24 -156(3) . . . . ?
C22 C23 C24 C25 163(4) . . . . ?
C23 C24 C25 C26 -71(5) . . . . ?
C24 C25 C26 C27 -147(3) . . . . ?
C25 C26 C27 C28 -175(3) . . . . ?
C26 C27 C28 C29 -61(3) . . . . ?
C27 C28 C29 C30 -70(3) . . . . ?
C28 C29 C30 P2 -172.9(15) . . . . ?
C31 P2 C30 C29 60.9(18) . . . . ?
C44 P2 C30 C29 169.5(16) . . . . ?
Os1 P2 C30 C29 -66.0(17) . . . . ?
C44 P2 C31 C32 -58(2) . . . . ?
C30 P2 C31 C32 47(2) . . . . ?
Os1 P2 C31 C32 179.7(15) . . . . ?
P2 C31 C32 C33 165.0(16) . . . . ?
C31 C32 C33 C34 171.9(19) . . . . ?
C32 C33 C34 C35 60(3) . . . . ?
C33 C34 C35 C36 54(3) . . . . ?
C34 C35 C36 C37 -179(2) . . . . ?
C35 C36 C37 C38 162(2) . . . . ?
C36 C37 C38 C39 -50(4) . . . . ?
C37 C38 C39 C40 -57(4) . . . . ?
C38 C39 C40 C41 -158(2) . . . . ?
C39 C40 C41 C42 -53(3) . . . . ?
C40 C41 C42 C43 -54(3) . . . . ?
C41 C42 C43 C44 -56(3) . . . . ?
C42 C43 C44 P2 -170.7(15) . . . . ?
C31 P2 C44 C43 -56.0(17) . . . . ?
C30 P2 C44 C43 -165.4(15) . . . . ?
Os1 P2 C44 C43 64.9(16) . . . . ?
C51 Os51 P51 C67 158.9(10) . . . . ?
C52 Os51 P51 C67 -108.8(9) . . . . ?
P52 Os51 P51 C67 52(2) . . . . ?
Br52 Os51 P51 C67 -23.6(7) . . . . ?
Br51 Os51 P51 C67 68.4(7) . . . . ?
C51 Os51 P51 C53 -82.1(10) . . . . ?
C52 Os51 P51 C53 10.2(9) . . . . ?
P52 Os51 P51 C53 171(2) . . . . ?
Br52 Os51 P51 C53 95.4(6) . . . . ?
Br51 Os51 P51 C53 -172.6(6) . . . . ?
C51 Os51 P51 C66 33.9(11) . . . . ?
C52 Os51 P51 C66 126.2(10) . . . . ?
P52 Os51 P51 C66 -73(2) . . . . ?
Br52 Os51 P51 C66 -148.5(8) . . . . ?
Br51 Os51 P51 C66 -56.5(8) . . . . ?
C51 Os51 P52 C81 65.1(10) . . . . ?
C52 Os51 P52 C81 -27.3(9) . . . . ?
P51 Os51 P52 C81 172(2) . . . . ?
Br52 Os51 P52 C81 -112.7(7) . . . . ?
Br51 Os51 P52 C81 155.5(7) . . . . ?
C51 Os51 P52 C80 -178.7(10) . . . . ?
C52 Os51 P52 C80 89.0(9) . . . . ?
P51 Os51 P52 C80 -71(2) . . . . ?
Br52 Os51 P52 C80 3.5(7) . . . . ?
Br51 Os51 P52 C80 -88.3(7) . . . . ?
C51 Os51 P52 C94 -58.5(10) . . . . ?
C52 Os51 P52 C94 -150.9(9) . . . . ?
P51 Os51 P52 C94 49(2) . . . . ?
Br52 Os51 P52 C94 123.6(7) . . . . ?
Br51 Os51 P52 C94 31.8(7) . . . . ?
C52 Os51 C51 O51 -20(20) . . . . ?
P52 Os51 C51 O51 -111(20) . . . . ?
P51 Os51 C51 O51 73(20) . . . . ?
Br52 Os51 C51 O51 38(27) . . . . ?
Br51 Os51 C51 O51 161(20) . . . . ?
C51 Os51 C52 O52 -178(100) . . . . ?
P52 Os51 C52 O52 -87(21) . . . . ?
P51 Os51 C52 O52 92(21) . . . . ?
Br52 Os51 C52 O52 5(21) . . . . ?
Br51 Os51 C52 O52 -21(30) . . . . ?
C67 P51 C53 C54 -165.5(16) . . . . ?
C66 P51 C53 C54 -54.8(17) . . . . ?
Os51 P51 C53 C54 64.9(16) . . . . ?
P51 C53 C54 C55 -171.9(15) . . . . ?
C53 C54 C55 C56 -63(3) . . . . ?
C54 C55 C56 C57 -59(3) . . . . ?
C55 C56 C57 C58 -161(2) . . . . ?
C56 C57 C58 C59 178(2) . . . . ?
C57 C58 C59 C60 75(3) . . . . ?
C58 C59 C60 C61 -95(3) . . . . ?
C59 C60 C61 C62 162(2) . . . . ?
C60 C61 C62 C63 -180(2) . . . . ?
C61 C62 C63 C64 54(3) . . . . ?
C62 C63 C64 C65 62(3) . . . . ?
C63 C64 C65 C66 171(2) . . . . ?
C64 C65 C66 P51 166.7(17) . . . . ?
C67 P51 C66 C65 46(2) . . . . ?
C53 P51 C66 C65 -61.1(19) . . . . ?
Os51 P51 C66 C65 178.1(15) . . . . ?
C53 P51 C67 C68 168.9(16) . . . . ?
C66 P51 C67 C68 59.9(19) . . . . ?
Os51 P51 C67 C68 -66.8(18) . . . . ?
P51 C67 C68 C69 -172.9(16) . . . . ?
C67 C68 C69 C70 -65(3) . . . . ?
C68 C69 C70 C71 -63(3) . . . . ?
C69 C70 C71 C72 -162(3) . . . . ?
C70 C71 C72 C73 -176(3) . . . . ?
C71 C72 C73 C74 79(4) . . . . ?
C72 C73 C74 C75 -172(3) . . . . ?
C73 C74 C75 C76 81(4) . . . . ?
C74 C75 C76 C77 149(3) . . . . ?
C75 C76 C77 C78 -91(4) . . . . ?
C76 C77 C78 C79 -98(3) . . . . ?
C77 C78 C79 C80 178(2) . . . . ?
C78 C79 C80 P52 -158(2) . . . . ?
C81 P52 C80 C79 -164.3(16) . . . . ?
C94 P52 C80 C79 -56.7(17) . . . . ?
Os51 P52 C80 C79 71.2(16) . . . . ?
C80 P52 C81 C82 -171.3(15) . . . . ?
C94 P52 C81 C82 83.2(16) . . . . ?
Os51 P52 C81 C82 -46.6(17) . . . . ?
P52 C81 C82 C83 -155.2(15) . . . . ?
C81 C82 C83 C84 -175.0(18) . . . . ?
C82 C83 C84 C85 -60(3) . . . . ?
C83 C84 C85 C86 -58(3) . . . . ?
C84 C85 C86 C87 -171(2) . . . . ?
C85 C86 C87 C88 -172(2) . . . . ?
C86 C87 C88 C89 59(3) . . . . ?
C87 C88 C89 C90 56(3) . . . . ?
C88 C89 C90 C91 176.4(19) . . . . ?
C89 C90 C91 C92 74(2) . . . . ?
C90 C91 C92 C93 56(3) . . . . ?
C91 C92 C93 C94 166.3(18) . . . . ?
C92 C93 C94 P52 169.9(15) . . . . ?
C81 P52 C94 C93 -73.6(16) . . . . ?
C80 P52 C94 C93 -177.6(15) . . . . ?
Os51 P52 C94 C93 55.3(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        22.40
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         2.337
_refine_diff_density_min         -4.271
_refine_diff_density_rms         0.286
# start Validation Reply Form
_vrf_THETM01_face                
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: No observable reflections were seen above 45 degrees 
2-theta. This could be due to the expected disorder in the long
hydrocarbon chains present.
;
_vrf_PLAT023_face                
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..      22.40 Deg. 
RESPONSE: No observable reflections were seen above 45 degrees 
2-theta. This could be due to the expected disorder in the long
hydrocarbon chains present.
;
_vrf_PLAT410_face                
;
PROBLEM: Short Intra H...H Contact  H22A   ..  H24B    ..       1.50 Ang. 
RESPONSE: Several Q-peaks were seen in the Fourier Difference map, along
the long hydrocarbon chains. Efforts to model this disorder resulted in 
a large increase in the number of parameters as well as the number of 
restraints with no significant improvement in the reliability factors.
Restraints were used to keep the bond distances and the thermal 
ellipsoids meaningful. This resulted in some of the C-C-C angles in 
the long hydrocarbon chains deviate from the ideal values resulting 
in this alert.
;
_vrf_PLAT770_face                
;
PROBLEM: Suspect C-H Bond in CIF:   C22    --  H21B    ..       1.47 Ang. 
RESPONSE: Several Q-peaks were seen in the Fourier Difference map, along
the long hydrocarbon chains. Efforts to model this disorder resulted in 
a large increase in the number of parameters as well as the number of 
restraints with no significant improvement in the reliability factors.
Restraints were used to keep the bond distances and the thermal 
ellipsoids meaningful. This resulted in some of the C-C-C angles in 
the long hydrocarbon chains deviate from the ideal values resulting 
in this alert.
;
# start Validation Reply Form
_vrf_PLAT972_face                
;
PROBLEM: Check Calcd Residual Density  1.64A From      C6      -4.77 eA-3  
RESPONSE: Several Q-peaks were seen in the Fourier Difference map, along
the long hydrocarbon chains. Efforts to model this disorder resulted in 
a large increase in the number of parameters as well as the number of 
restraints with no significant improvement in the reliability factors.
Restraints were used to keep the bond distances and the thermal 
ellipsoids meaningful. Several positive and negative residual
densities resulted and were not tried to account with more 
disorder.
;
_vrf_PLAT342_face                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0347 Ang.  
RESPONSE: No observable reflections were seen above 45 degrees 
2-theta. This could be due to the expected disorder in the long
hydrocarbon chains present.
;
_vrf_PLAT919_face                
;
PROBLEM: Reflection # Likely Affected by the Beamstop ...          8 Check 
RESPONSE: Several reflections were omitted with 
larger differences from the list 
of most disagreeable reflections list. 
No efforts were made to check the reflections
affected by the beamstop.
;
_vrf_PLAT939_face                
;
PROBLEM: Large Value of Not (SHELXL) Weight Optimized S .     169.00       
RESPONSE: The data obtained did not show  any reflections above 45 degrees
2-theta; also the disorder model could not be fully completed, caused by
the poor quality of the crystal and data.
;
_vrf_PLAT971_face                
;
PROBLEM: Check Calcd Residual Density  2.20A From     C63       2.76 eA-3  
RESPONSE: Several Q-peaks were seen in the Fourier Difference map, along
the long hydrocarbon chains. Efforts to model this disorder resulted in 
a large increase in the number of parameters as well as the number of 
restraints with no significant improvement in the reliability factors.
Restraints were used to keep the bond distances and the thermal 
ellipsoids meaningful. Several positive and negative residual
densities resulted and were not tried to account with more 
disorder.
;


# end Validation Reply Form_exptl_crystal_recrystallization_method 
####################################################################### 
# 
# 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_face1
_database_code_depnum_ccdc_archive 'CCDC 1446698'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H96 Br2 O2 Os P2'
_chemical_formula_weight         1141.23

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'
O O 0.0106 0.0060 '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'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   P4(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z+1/4'
'-x, -y, z+1/2'
'y, -x, z+3/4'

_cell_length_a                   16.9141(7)
_cell_length_b                   16.9141(7)
_cell_length_c                   19.2307(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5501.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9890
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      28.82

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_exptl_absorpt_coefficient_mu    3.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4575
_exptl_absorpt_correction_T_max  0.5597
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            103619
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0543
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         27.50
_reflns_number_total             12592
_reflns_number_gt                11199
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX-II (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  APEX-II(BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        APEX-II
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0469P)²+16.6414P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(8)
_refine_ls_number_reflns         12592
_refine_ls_number_parameters     514
_refine_ls_number_restraints     49
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1076
_refine_ls_wR_factor_gt          0.0989
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.765410(13) 0.243909(14) 0.146712(12) 0.02437(6) Uani 1 1 d . . .
Br1 Br 0.76894(4) 0.13794(4) 0.24341(3) 0.02999(14) Uani 1 1 d . . .
Br2 Br 0.77487(4) 0.35161(4) 0.24139(4) 0.03288(14) Uani 1 1 d . . .
P1 P 0.62263(9) 0.24362(10) 0.15382(9) 0.0295(3) Uani 1 1 d . . .
P2 P 0.90793(9) 0.24160(9) 0.14078(9) 0.0264(3) Uani 1 1 d . . .
C1 C 0.7581(4) 0.1623(4) 0.0807(4) 0.0333(15) Uani 1 1 d . . .
O1 O 0.7534(3) 0.1123(3) 0.0440(3) 0.0357(11) Uani 1 1 d . . .
C2 C 0.7613(4) 0.3246(5) 0.0800(4) 0.0357(15) Uani 1 1 d . . .
O2 O 0.7592(3) 0.3748(3) 0.0423(3) 0.0397(12) Uani 1 1 d . . .
C3 C 0.5745(4) 0.2900(4) 0.2291(4) 0.0347(15) Uani 1 1 d . . .
H3A H 0.5939 0.3451 0.2327 0.042 Uiso 1 1 calc R . .
H3B H 0.5170 0.2926 0.2197 0.042 Uiso 1 1 calc R . .
C4 C 0.5860(4) 0.2509(4) 0.2980(4) 0.0370(15) Uani 1 1 d . . .
H4A H 0.6430 0.2501 0.3097 0.044 Uiso 1 1 calc R . .
H4B H 0.5672 0.1955 0.2955 0.044 Uiso 1 1 calc R . .
C5 C 0.5407(5) 0.2950(5) 0.3545(4) 0.0425(18) Uani 1 1 d . . .
H5A H 0.5618 0.3495 0.3578 0.051 Uiso 1 1 calc R . .
H5B H 0.4845 0.2989 0.3404 0.051 Uiso 1 1 calc R . .
C6 C 0.5448(5) 0.2568(5) 0.4264(4) 0.0472(19) Uani 1 1 d . . .
H6A H 0.5215 0.2032 0.4236 0.057 Uiso 1 1 calc R . .
H6B H 0.5121 0.2882 0.4590 0.057 Uiso 1 1 calc R . .
C7 C 0.6284(5) 0.2502(5) 0.4559(4) 0.0435(17) Uani 1 1 d . . .
H7A H 0.6598 0.2149 0.4255 0.052 Uiso 1 1 calc R . .
H7B H 0.6255 0.2253 0.5024 0.052 Uiso 1 1 calc R . .
C8 C 0.6720(5) 0.3296(5) 0.4625(4) 0.0440(18) Uani 1 1 d . . .
H8A H 0.6789 0.3529 0.4157 0.053 Uiso 1 1 calc R . .
H8B H 0.6393 0.3665 0.4903 0.053 Uiso 1 1 calc R . .
C9 C 0.7527(4) 0.3211(5) 0.4968(4) 0.0406(16) Uani 1 1 d . . .
H9A H 0.7463 0.2929 0.5416 0.049 Uiso 1 1 calc R . .
H9B H 0.7739 0.3744 0.5071 0.049 Uiso 1 1 calc R . .
C10 C 0.8125(5) 0.2760(4) 0.4514(4) 0.0394(15) Uani 1 1 d . . .
H10A H 0.7932 0.2212 0.4447 0.047 Uiso 1 1 calc R . .
H10B H 0.8149 0.3015 0.4051 0.047 Uiso 1 1 calc R . .
C11 C 0.8951(5) 0.2730(4) 0.4818(4) 0.0394(16) Uani 1 1 d . . .
H11A H 0.8925 0.2526 0.5300 0.047 Uiso 1 1 calc R . .
H11B H 0.9172 0.3272 0.4835 0.047 Uiso 1 1 calc R . .
C12 C 0.9496(4) 0.2200(4) 0.4385(4) 0.0378(15) Uani 1 1 d . . .
H12A H 0.9369 0.1641 0.4488 0.045 Uiso 1 1 calc R . .
H12B H 0.9385 0.2292 0.3886 0.045 Uiso 1 1 calc R . .
C13 C 1.0375(5) 0.2336(4) 0.4515(4) 0.0411(16) Uani 1 1 d . . .
H13A H 1.0477 0.2303 0.5021 0.049 Uiso 1 1 calc R . .
H13B H 1.0515 0.2876 0.4361 0.049 Uiso 1 1 calc R . .
C14 C 1.0913(5) 0.1738(5) 0.4138(4) 0.0463(19) Uani 1 1 d . . .
H14A H 1.1470 0.1908 0.4193 0.056 Uiso 1 1 calc R . .
H14B H 1.0856 0.1215 0.4365 0.056 Uiso 1 1 calc R . .
C15 C 1.0733(4) 0.1651(4) 0.3370(4) 0.0391(16) Uani 1 1 d . . .
H15A H 1.0184 0.1457 0.3314 0.047 Uiso 1 1 calc R . .
H15B H 1.1092 0.1250 0.3168 0.047 Uiso 1 1 calc R . .
C16 C 1.0826(4) 0.2424(4) 0.2973(4) 0.0360(15) Uani 1 1 d . . .
H16A H 1.1395 0.2556 0.2943 0.043 Uiso 1 1 calc R . .
H16B H 1.0562 0.2852 0.3237 0.043 Uiso 1 1 calc R . .
C17 C 1.0479(4) 0.2395(4) 0.2235(4) 0.0340(14) Uani 1 1 d . . .
H17A H 1.0682 0.2849 0.1964 0.041 Uiso 1 1 calc R . .
H17B H 1.0657 0.1904 0.2002 0.041 Uiso 1 1 calc R . .
C18 C 0.9580(4) 0.2419(4) 0.2239(3) 0.0315(14) Uani 1 1 d . . .
H18A H 0.9415 0.2900 0.2494 0.038 Uiso 1 1 calc R . .
H18B H 0.9389 0.1959 0.2509 0.038 Uiso 1 1 calc R . .
C19 C 0.5834(3) 0.1427(4) 0.1477(4) 0.0326(12) Uani 1 1 d . . .
H19A H 0.6040 0.1187 0.1044 0.039 Uiso 1 1 calc R . .
H19B H 0.6052 0.1118 0.1871 0.039 Uiso 1 1 calc R . .
C20 C 0.4937(4) 0.1326(5) 0.1481(5) 0.0412(15) Uani 1 1 d . . .
H20A H 0.4728 0.1465 0.1946 0.049 Uiso 1 1 calc R . .
H20B H 0.4699 0.1693 0.1138 0.049 Uiso 1 1 calc R . .
C21 C 0.4700(5) 0.0477(5) 0.1302(5) 0.052(2) Uani 1 1 d . . .
H21A H 0.5012 0.0109 0.1594 0.062 Uiso 1 1 calc R . .
H21B H 0.4135 0.0401 0.1420 0.062 Uiso 1 1 calc R . .
C22 C 0.4823(5) 0.0266(5) 0.0547(4) 0.0435(17) Uani 1 1 d . . .
H22A H 0.5372 0.0405 0.0416 0.052 Uiso 1 1 calc R . .
H22B H 0.4464 0.0594 0.0261 0.052 Uiso 1 1 calc R . .
C23 C 0.4680(5) -0.0613(5) 0.0365(5) 0.0478(19) Uani 1 1 d . . .
H23A H 0.4156 -0.0769 0.0548 0.057 Uiso 1 1 calc R . .
H23B H 0.4662 -0.0666 -0.0147 0.057 Uiso 1 1 calc R . .
C24 C 0.5287(5) -0.1176(5) 0.0642(4) 0.0417(17) Uani 1 1 d . . .
H24A H 0.5088 -0.1722 0.0584 0.050 Uiso 1 1 calc R . .
H24B H 0.5353 -0.1080 0.1146 0.050 Uiso 1 1 calc R . .
C25 C 0.6092(5) -0.1114(5) 0.0293(4) 0.0475(19) Uani 1 1 d . . .
H25A H 0.6278 -0.0561 0.0326 0.057 Uiso 1 1 calc R . .
H25B H 0.6033 -0.1244 -0.0206 0.057 Uiso 1 1 calc R . .
C26 C 0.6720(5) -0.1661(5) 0.0612(4) 0.0464(19) Uani 1 1 d . . .
H26A H 0.6534 -0.2214 0.0579 0.056 Uiso 1 1 calc R . .
H26B H 0.7212 -0.1617 0.0335 0.056 Uiso 1 1 calc R . .
C27 C 0.6907(5) -0.1477(5) 0.1361(4) 0.0440(17) Uani 1 1 d . . .
H27A H 0.6440 -0.1610 0.1648 0.053 Uiso 1 1 calc R . .
H27B H 0.7000 -0.0901 0.1406 0.053 Uiso 1 1 calc R . .
C28 C 0.7617(5) -0.1909(5) 0.1654(5) 0.0465(19) Uani 1 1 d . . .
H28A H 0.7508 -0.2484 0.1634 0.056 Uiso 1 1 calc R . .
H28B H 0.7673 -0.1763 0.2150 0.056 Uiso 1 1 calc R . .
C29 C 0.8405(5) -0.1755(4) 0.1292(4) 0.0392(16) Uani 1 1 d . . .
H29A H 0.8832 -0.2012 0.1562 0.047 Uiso 1 1 calc R . .
H29B H 0.8393 -0.2002 0.0826 0.047 Uiso 1 1 calc R . .
C30 C 0.8599(5) -0.0888(4) 0.1211(4) 0.0393(16) Uani 1 1 d . . .
H30A H 0.8233 -0.0656 0.0865 0.047 Uiso 1 1 calc R . .
H30B H 0.8501 -0.0620 0.1661 0.047 Uiso 1 1 calc R . .
C31 C 0.9432(4) -0.0716(4) 0.0988(4) 0.0367(15) Uani 1 1 d . . .
H31A H 0.9584 -0.1099 0.0622 0.044 Uiso 1 1 calc R . .
H31B H 0.9788 -0.0802 0.1390 0.044 Uiso 1 1 calc R . .
C32 C 0.9562(4) 0.0111(4) 0.0714(4) 0.0358(15) Uani 1 1 d . . .
H32A H 0.9232 0.0187 0.0294 0.043 Uiso 1 1 calc R . .
H32B H 1.0122 0.0167 0.0573 0.043 Uiso 1 1 calc R . .
C33 C 0.9361(4) 0.0761(4) 0.1244(4) 0.0325(14) Uani 1 1 d . . .
H33A H 0.8803 0.0708 0.1392 0.039 Uiso 1 1 calc R . .
H33B H 0.9701 0.0701 0.1660 0.039 Uiso 1 1 calc R . .
C34 C 0.9490(4) 0.1572(4) 0.0926(3) 0.0296(13) Uani 1 1 d . . .
H34A H 0.9257 0.1572 0.0454 0.036 Uiso 1 1 calc R . .
H34B H 1.0066 0.1657 0.0874 0.036 Uiso 1 1 calc R . .
C35 C 0.5750(4) 0.2977(5) 0.0824(4) 0.0393(17) Uani 1 1 d . . .
H35A H 0.5176 0.3003 0.0920 0.047 Uiso 1 1 calc R . .
H35B H 0.5953 0.3526 0.0825 0.047 Uiso 1 1 calc R . .
C36 C 0.5865(6) 0.2637(6) 0.0099(4) 0.051(2) Uani 1 1 d DU . .
H36A H 0.5640 0.2097 0.0088 0.062 Uiso 1 1 calc R . .
H36B H 0.6439 0.2593 0.0006 0.062 Uiso 1 1 calc R . .
C37 C 0.5485(8) 0.3124(6) -0.0483(5) 0.090(3) Uani 1 1 d DU . .
H37B H 0.5476 0.2811 -0.0918 0.108 Uiso 1 1 calc R . .
H37A H 0.4933 0.3255 -0.0357 0.108 Uiso 1 1 calc R . .
C38 C 0.5953(7) 0.3886(6) -0.0599(6) 0.087(3) Uani 1 1 d DU . .
H38A H 0.6467 0.3770 -0.0821 0.104 Uiso 1 1 calc R . .
H38B H 0.6050 0.4158 -0.0151 0.104 Uiso 1 1 calc R . .
C39 C 0.5435(7) 0.4405(5) -0.1081(6) 0.089(3) Uani 1 1 d DU . .
H39A H 0.5272 0.4111 -0.1502 0.107 Uiso 1 1 calc R . .
H39B H 0.4958 0.4598 -0.0835 0.107 Uiso 1 1 calc R . .
C40 C 0.5994(7) 0.5091(5) -0.1265(4) 0.073(3) Uani 1 1 d DU . .
H40A H 0.6522 0.4879 -0.1384 0.087 Uiso 1 1 calc R . .
H40B H 0.5787 0.5377 -0.1676 0.087 Uiso 1 1 calc R . .
C41 C 0.6067(7) 0.5665(5) -0.0650(4) 0.072(3) Uani 1 1 d DU . .
H41A H 0.6271 0.5372 -0.0243 0.086 Uiso 1 1 calc R . .
H41B H 0.5534 0.5864 -0.0530 0.086 Uiso 1 1 calc R . .
C42 C 0.6611(5) 0.6377(6) -0.0788(6) 0.078(3) Uani 1 1 d D . .
H42A H 0.6532 0.6563 -0.1271 0.093 Uiso 1 1 calc R . .
H42B H 0.6466 0.6814 -0.0470 0.093 Uiso 1 1 calc R . .
C43 C 0.7485(6) 0.6168(8) -0.0682(4) 0.073(3) Uani 1 1 d D . .
H43A H 0.7817 0.6582 -0.0900 0.088 Uiso 1 1 calc R . .
H43B H 0.7600 0.5661 -0.0919 0.088 Uiso 1 1 calc R . .
C44 C 0.7704(7) 0.6096(7) 0.0091(4) 0.079(4) Uani 1 1 d D . .
H44A H 0.7678 0.6624 0.0312 0.095 Uiso 1 1 calc R . .
H44B H 0.7318 0.5747 0.0328 0.095 Uiso 1 1 calc R . .
C45 C 0.8537(5) 0.5756(6) 0.0175(5) 0.064(3) Uani 1 1 d D . .
H45A H 0.8901 0.6050 -0.0134 0.076 Uiso 1 1 calc R . .
H45B H 0.8533 0.5198 0.0019 0.076 Uiso 1 1 calc R . .
C46 C 0.8854(6) 0.5789(5) 0.0910(5) 0.058(2) Uani 1 1 d . . .
H46A H 0.8518 0.5455 0.1212 0.069 Uiso 1 1 calc R . .
H46B H 0.8816 0.6339 0.1082 0.069 Uiso 1 1 calc R . .
C47 C 0.9719(6) 0.5510(5) 0.0977(6) 0.059(2) Uani 1 1 d . . .
H47A H 1.0061 0.5863 0.0697 0.070 Uiso 1 1 calc R . .
H47B H 0.9885 0.5559 0.1469 0.070 Uiso 1 1 calc R . .
C48 C 0.9848(6) 0.4658(5) 0.0740(5) 0.053(2) Uani 1 1 d . . .
H48A H 0.9654 0.4601 0.0257 0.063 Uiso 1 1 calc R . .
H48B H 1.0422 0.4544 0.0738 0.063 Uiso 1 1 calc R . .
C49 C 0.9435(4) 0.4054(4) 0.1196(4) 0.0355(14) Uani 1 1 d . . .
H49A H 0.8867 0.4188 0.1232 0.043 Uiso 1 1 calc R . .
H49B H 0.9664 0.4070 0.1670 0.043 Uiso 1 1 calc R . .
C50 C 0.9525(4) 0.3222(4) 0.0895(3) 0.0298(13) Uani 1 1 d . . .
H50A H 1.0096 0.3110 0.0840 0.036 Uiso 1 1 calc R . .
H50B H 0.9286 0.3216 0.0425 0.036 Uiso 1 1 calc R . .


_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 C1 1.879(8) . ?
Os1 C2 1.875(8) . ?
Os1 P2 2.4137(15) . ?
Os1 P1 2.4188(15) . ?
Os1 Br2 2.5805(7) . ?
Os1 Br1 2.5835(7) . ?
P1 C3 1.837(7) . ?
P1 C19 1.836(6) . ?
P1 C35 1.837(7) . ?
P2 C18 1.810(7) . ?
P2 C34 1.837(6) . ?
P2 C50 1.843(6) . ?
C1 O1 1.105(9) . ?
C2 O2 1.116(9) . ?
C3 C4 1.494(11) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.525(10) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.526(11) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.529(12) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.537(11) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.522(12) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.539(10) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.515(11) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.532(10) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.525(11) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.541(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.515(11) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.523(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.536(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.521(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.527(8) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.531(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.511(11) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.545(11) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.499(11) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.520(11) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.536(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.508(11) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.513(11) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.527(11) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.510(10) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.502(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.510(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.538(9) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.518(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.520(11) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.532(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.528(5) . ?
C37 H37B 0.9900 . ?
C37 H37A 0.9900 . ?
C38 C39 1.547(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.538(5) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.534(5) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.538(5) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.532(5) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.537(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.531(5) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.514(13) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.543(14) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.527(12) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.517(10) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.529(10) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Os1 C2 94.0(3) . . ?
C1 Os1 P2 91.3(2) . . ?
C2 Os1 P2 91.0(2) . . ?
C1 Os1 P1 88.3(2) . . ?
C2 Os1 P1 90.2(2) . . ?
P2 Os1 P1 178.83(6) . . ?
C1 Os1 Br2 177.6(2) . . ?
C2 Os1 Br2 88.3(2) . . ?
P2 Os1 Br2 89.01(4) . . ?
P1 Os1 Br2 91.34(4) . . ?
C1 Os1 Br1 88.7(2) . . ?
C2 Os1 Br1 177.0(2) . . ?
P2 Os1 Br1 89.98(4) . . ?
P1 Os1 Br1 88.91(4) . . ?
Br2 Os1 Br1 88.88(2) . . ?
C3 P1 C19 106.7(3) . . ?
C3 P1 C35 100.5(3) . . ?
C19 P1 C35 104.9(4) . . ?
C3 P1 Os1 119.1(2) . . ?
C19 P1 Os1 111.0(2) . . ?
C35 P1 Os1 113.2(3) . . ?
C18 P2 C34 105.7(3) . . ?
C18 P2 C50 106.2(3) . . ?
C34 P2 C50 98.6(3) . . ?
C18 P2 Os1 115.2(2) . . ?
C34 P2 Os1 114.4(2) . . ?
C50 P2 Os1 114.9(2) . . ?
O1 C1 Os1 177.3(6) . . ?
O2 C2 Os1 177.3(7) . . ?
C4 C3 P1 116.8(5) . . ?
C4 C3 H3A 108.1 . . ?
P1 C3 H3A 108.1 . . ?
C4 C3 H3B 108.1 . . ?
P1 C3 H3B 108.1 . . ?
H3A C3 H3B 107.3 . . ?
C3 C4 C5 110.5(6) . . ?
C3 C4 H4A 109.6 . . ?
C5 C4 H4A 109.6 . . ?
C3 C4 H4B 109.6 . . ?
C5 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
C6 C5 C4 114.6(7) . . ?
C6 C5 H5A 108.6 . . ?
C4 C5 H5A 108.6 . . ?
C6 C5 H5B 108.6 . . ?
C4 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
C5 C6 C7 114.1(7) . . ?
C5 C6 H6A 108.7 . . ?
C7 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
C7 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C6 C7 C8 114.3(7) . . ?
C6 C7 H7A 108.7 . . ?
C8 C7 H7A 108.7 . . ?
C6 C7 H7B 108.7 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C9 C8 C7 112.5(7) . . ?
C9 C8 H8A 109.1 . . ?
C7 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C7 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C8 C9 C10 112.9(7) . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9B 109.0 . . ?
C10 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C9 113.8(6) . . ?
C11 C10 H10A 108.8 . . ?
C9 C10 H10A 108.8 . . ?
C11 C10 H10B 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
C10 C11 C12 111.4(6) . . ?
C10 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
C10 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C13 C12 C11 114.2(6) . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C12 C13 C14 113.6(6) . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C15 C14 C13 113.8(6) . . ?
C15 C14 H14A 108.8 . . ?
C13 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C14 C15 C16 112.6(6) . . ?
C14 C15 H15A 109.1 . . ?
C16 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C16 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C15 C16 C17 113.3(6) . . ?
C15 C16 H16A 108.9 . . ?
C17 C16 H16A 108.9 . . ?
C15 C16 H16B 108.9 . . ?
C17 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C18 C17 C16 112.1(6) . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
C16 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
C17 C18 P2 117.6(5) . . ?
C17 C18 H18A 107.9 . . ?
P2 C18 H18A 107.9 . . ?
C17 C18 H18B 107.9 . . ?
P2 C18 H18B 107.9 . . ?
H18A C18 H18B 107.2 . . ?
C20 C19 P1 117.5(5) . . ?
C20 C19 H19A 107.9 . . ?
P1 C19 H19A 107.9 . . ?
C20 C19 H19B 107.9 . . ?
P1 C19 H19B 107.9 . . ?
H19A C19 H19B 107.2 . . ?
C21 C20 C19 111.3(6) . . ?
C21 C20 H20A 109.4 . . ?
C19 C20 H20A 109.4 . . ?
C21 C20 H20B 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C22 C21 C20 113.6(7) . . ?
C22 C21 H21A 108.8 . . ?
C20 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
C20 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C21 C22 C23 115.0(7) . . ?
C21 C22 H22A 108.5 . . ?
C23 C22 H22A 108.5 . . ?
C21 C22 H22B 108.5 . . ?
C23 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C24 C23 C22 115.1(6) . . ?
C24 C23 H23A 108.5 . . ?
C22 C23 H23A 108.5 . . ?
C24 C23 H23B 108.5 . . ?
C22 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 C25 114.4(7) . . ?
C23 C24 H24A 108.7 . . ?
C25 C24 H24A 108.7 . . ?
C23 C24 H24B 108.7 . . ?
C25 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
C24 C25 C26 113.7(7) . . ?
C24 C25 H25A 108.8 . . ?
C26 C25 H25A 108.8 . . ?
C24 C25 H25B 108.8 . . ?
C26 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
C27 C26 C25 113.7(7) . . ?
C27 C26 H26A 108.8 . . ?
C25 C26 H26A 108.8 . . ?
C27 C26 H26B 108.8 . . ?
C25 C26 H26B 108.8 . . ?
H26A C26 H26B 107.7 . . ?
C26 C27 C28 115.0(7) . . ?
C26 C27 H27A 108.5 . . ?
C28 C27 H27A 108.5 . . ?
C26 C27 H27B 108.5 . . ?
C28 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C27 C28 C29 116.1(7) . . ?
C27 C28 H28A 108.2 . . ?
C29 C28 H28A 108.2 . . ?
C27 C28 H28B 108.2 . . ?
C29 C28 H28B 108.2 . . ?
H28A C28 H28B 107.4 . . ?
C30 C29 C28 113.7(6) . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29B 108.8 . . ?
C28 C29 H29B 108.8 . . ?
H29A C29 H29B 107.7 . . ?
C31 C30 C29 114.9(6) . . ?
C31 C30 H30A 108.5 . . ?
C29 C30 H30A 108.5 . . ?
C31 C30 H30B 108.5 . . ?
C29 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
C30 C31 C32 114.5(6) . . ?
C30 C31 H31A 108.6 . . ?
C32 C31 H31A 108.6 . . ?
C30 C31 H31B 108.6 . . ?
C32 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C31 C32 C33 113.5(6) . . ?
C31 C32 H32A 108.9 . . ?
C33 C32 H32A 108.9 . . ?
C31 C32 H32B 108.9 . . ?
C33 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C34 C33 C32 110.4(6) . . ?
C34 C33 H33A 109.6 . . ?
C32 C33 H33A 109.6 . . ?
C34 C33 H33B 109.6 . . ?
C32 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 P2 116.4(4) . . ?
C33 C34 H34A 108.2 . . ?
P2 C34 H34A 108.2 . . ?
C33 C34 H34B 108.2 . . ?
P2 C34 H34B 108.2 . . ?
H34A C34 H34B 107.3 . . ?
C36 C35 P1 116.2(5) . . ?
C36 C35 H35A 108.2 . . ?
P1 C35 H35A 108.2 . . ?
C36 C35 H35B 108.2 . . ?
P1 C35 H35B 108.2 . . ?
H35A C35 H35B 107.4 . . ?
C35 C36 C37 114.4(8) . . ?
C35 C36 H36A 108.7 . . ?
C37 C36 H36A 108.7 . . ?
C35 C36 H36B 108.7 . . ?
C37 C36 H36B 108.7 . . ?
H36A C36 H36B 107.6 . . ?
C38 C37 C36 110.1(9) . . ?
C38 C37 H37B 109.6 . . ?
C36 C37 H37B 109.6 . . ?
C38 C37 H37A 109.6 . . ?
C36 C37 H37A 109.6 . . ?
H37B C37 H37A 108.2 . . ?
C37 C38 C39 105.8(7) . . ?
C37 C38 H38A 110.6 . . ?
C39 C38 H38A 110.6 . . ?
C37 C38 H38B 110.6 . . ?
C39 C38 H38B 110.6 . . ?
H38A C38 H38B 108.7 . . ?
C40 C39 C38 102.6(8) . . ?
C40 C39 H39A 111.2 . . ?
C38 C39 H39A 111.2 . . ?
C40 C39 H39B 111.2 . . ?
C38 C39 H39B 111.2 . . ?
H39A C39 H39B 109.2 . . ?
C41 C40 C39 110.5(8) . . ?
C41 C40 H40A 109.6 . . ?
C39 C40 H40A 109.6 . . ?
C41 C40 H40B 109.6 . . ?
C39 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C40 C41 C42 114.3(9) . . ?
C40 C41 H41A 108.7 . . ?
C42 C41 H41A 108.7 . . ?
C40 C41 H41B 108.7 . . ?
C42 C41 H41B 108.7 . . ?
H41A C41 H41B 107.6 . . ?
C43 C42 C41 112.0(9) . . ?
C43 C42 H42A 109.2 . . ?
C41 C42 H42A 109.2 . . ?
C43 C42 H42B 109.2 . . ?
C41 C42 H42B 109.2 . . ?
H42A C42 H42B 107.9 . . ?
C42 C43 C44 112.2(8) . . ?
C42 C43 H43A 109.2 . . ?
C44 C43 H43A 109.2 . . ?
C42 C43 H43B 109.2 . . ?
C44 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?
C45 C44 C43 110.7(8) . . ?
C45 C44 H44A 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 108.1 . . ?
C44 C45 C46 114.3(8) . . ?
C44 C45 H45A 108.7 . . ?
C46 C45 H45A 108.7 . . ?
C44 C45 H45B 108.7 . . ?
C46 C45 H45B 108.7 . . ?
H45A C45 H45B 107.6 . . ?
C45 C46 C47 113.8(9) . . ?
C45 C46 H46A 108.8 . . ?
C47 C46 H46A 108.8 . . ?
C45 C46 H46B 108.8 . . ?
C47 C46 H46B 108.8 . . ?
H46A C46 H46B 107.7 . . ?
C48 C47 C46 113.5(8) . . ?
C48 C47 H47A 108.9 . . ?
C46 C47 H47A 108.9 . . ?
C48 C47 H47B 108.9 . . ?
C46 C47 H47B 108.9 . . ?
H47A C47 H47B 107.7 . . ?
C49 C48 C47 113.4(7) . . ?
C49 C48 H48A 108.9 . . ?
C47 C48 H48A 108.9 . . ?
C49 C48 H48B 108.9 . . ?
C47 C48 H48B 108.9 . . ?
H48A C48 H48B 107.7 . . ?
C48 C49 C50 110.8(6) . . ?
C48 C49 H49A 109.5 . . ?
C50 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C50 C49 H49B 109.5 . . ?
H49A C49 H49B 108.1 . . ?
C49 C50 P2 116.0(5) . . ?
C49 C50 H50A 108.3 . . ?
P2 C50 H50A 108.3 . . ?
C49 C50 H50B 108.3 . . ?
P2 C50 H50B 108.3 . . ?
H50A C50 H50B 107.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Os1 P1 C3 162.1(4) . . . . ?
C2 Os1 P1 C3 -103.9(4) . . . . ?
P2 Os1 P1 C3 92(3) . . . . ?
Br2 Os1 P1 C3 -15.6(3) . . . . ?
Br1 Os1 P1 C3 73.3(3) . . . . ?
C1 Os1 P1 C19 37.5(3) . . . . ?
C2 Os1 P1 C19 131.6(4) . . . . ?
P2 Os1 P1 C19 -32(3) . . . . ?
Br2 Os1 P1 C19 -140.1(3) . . . . ?
Br1 Os1 P1 C19 -51.2(3) . . . . ?
C1 Os1 P1 C35 -80.2(4) . . . . ?
C2 Os1 P1 C35 13.9(4) . . . . ?
P2 Os1 P1 C35 -150(3) . . . . ?
Br2 Os1 P1 C35 102.2(3) . . . . ?
Br1 Os1 P1 C35 -169.0(3) . . . . ?
C1 Os1 P2 C18 -133.3(3) . . . . ?
C2 Os1 P2 C18 132.6(3) . . . . ?
P1 Os1 P2 C18 -64(3) . . . . ?
Br2 Os1 P2 C18 44.3(3) . . . . ?
Br1 Os1 P2 C18 -44.6(3) . . . . ?
C1 Os1 P2 C34 -10.4(3) . . . . ?
C2 Os1 P2 C34 -104.5(3) . . . . ?
P1 Os1 P2 C34 59(3) . . . . ?
Br2 Os1 P2 C34 167.2(2) . . . . ?
Br1 Os1 P2 C34 78.3(2) . . . . ?
C1 Os1 P2 C50 102.7(3) . . . . ?
C2 Os1 P2 C50 8.7(3) . . . . ?
P1 Os1 P2 C50 172(18) . . . . ?
Br2 Os1 P2 C50 -79.7(2) . . . . ?
Br1 Os1 P2 C50 -168.5(2) . . . . ?
C2 Os1 C1 O1 -170(13) . . . . ?
P2 Os1 C1 O1 99(13) . . . . ?
P1 Os1 C1 O1 -80(13) . . . . ?
Br2 Os1 C1 O1 2(17) . . . . ?
Br1 Os1 C1 O1 9(13) . . . . ?
C1 Os1 C2 O2 -176(100) . . . . ?
P2 Os1 C2 O2 -85(13) . . . . ?
P1 Os1 C2 O2 96(13) . . . . ?
Br2 Os1 C2 O2 4(13) . . . . ?
Br1 Os1 C2 O2 24(17) . . . . ?
C19 P1 C3 C4 59.1(6) . . . . ?
C35 P1 C3 C4 168.3(6) . . . . ?
Os1 P1 C3 C4 -67.4(6) . . . . ?
P1 C3 C4 C5 -178.4(5) . . . . ?
C3 C4 C5 C6 176.6(7) . . . . ?
C4 C5 C6 C7 60.7(10) . . . . ?
C5 C6 C7 C8 58.1(9) . . . . ?
C6 C7 C8 C9 175.9(6) . . . . ?
C7 C8 C9 C10 68.3(9) . . . . ?
C8 C9 C10 C11 175.0(6) . . . . ?
C9 C10 C11 C12 173.8(6) . . . . ?
C10 C11 C12 C13 162.0(6) . . . . ?
C11 C12 C13 C14 173.6(6) . . . . ?
C12 C13 C14 C15 50.6(9) . . . . ?
C13 C14 C15 C16 60.1(9) . . . . ?
C14 C15 C16 C17 -167.6(6) . . . . ?
C15 C16 C17 C18 74.2(8) . . . . ?
C16 C17 C18 P2 178.4(5) . . . . ?
C34 P2 C18 C17 51.9(6) . . . . ?
C50 P2 C18 C17 -52.3(6) . . . . ?
Os1 P2 C18 C17 179.3(4) . . . . ?
C3 P1 C19 C20 51.5(7) . . . . ?
C35 P1 C19 C20 -54.6(7) . . . . ?
Os1 P1 C19 C20 -177.3(5) . . . . ?
P1 C19 C20 C21 170.2(6) . . . . ?
C19 C20 C21 C22 -72.2(9) . . . . ?
C20 C21 C22 C23 173.4(6) . . . . ?
C21 C22 C23 C24 -70.4(10) . . . . ?
C22 C23 C24 C25 -70.0(10) . . . . ?
C23 C24 C25 C26 176.5(7) . . . . ?
C24 C25 C26 C27 -62.9(10) . . . . ?
C25 C26 C27 C28 -170.1(7) . . . . ?
C26 C27 C28 C29 60.3(10) . . . . ?
C27 C28 C29 C30 51.4(10) . . . . ?
C28 C29 C30 C31 168.5(7) . . . . ?
C29 C30 C31 C32 163.5(6) . . . . ?
C30 C31 C32 C33 59.5(9) . . . . ?
C31 C32 C33 C34 -178.8(6) . . . . ?
C32 C33 C34 P2 167.0(5) . . . . ?
C18 P2 C34 C33 61.9(6) . . . . ?
C50 P2 C34 C33 171.5(5) . . . . ?
Os1 P2 C34 C33 -66.0(5) . . . . ?
C3 P1 C35 C36 -167.2(7) . . . . ?
C19 P1 C35 C36 -56.6(7) . . . . ?
Os1 P1 C35 C36 64.7(7) . . . . ?
P1 C35 C36 C37 -177.7(7) . . . . ?
C35 C36 C37 C38 72.2(13) . . . . ?
C36 C37 C38 C39 -168.8(9) . . . . ?
C37 C38 C39 C40 -171.4(9) . . . . ?
C38 C39 C40 C41 -75.8(11) . . . . ?
C39 C40 C41 C42 -179.6(9) . . . . ?
C40 C41 C42 C43 -81.9(11) . . . . ?
C41 C42 C43 C44 -74.7(13) . . . . ?
C42 C43 C44 C45 170.6(9) . . . . ?
C43 C44 C45 C46 170.4(9) . . . . ?
C44 C45 C46 C47 -175.1(8) . . . . ?
C45 C46 C47 C48 -59.7(11) . . . . ?
C46 C47 C48 C49 -66.0(11) . . . . ?
C47 C48 C49 C50 174.9(7) . . . . ?
C48 C49 C50 P2 178.1(6) . . . . ?
C18 P2 C50 C49 -61.4(6) . . . . ?
C34 P2 C50 C49 -170.7(5) . . . . ?
Os1 P2 C50 C49 67.2(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.745
_refine_diff_density_min         -1.489
_refine_diff_density_rms         0.126
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: C6D6 and MeOH'
####################################################################### 
# 
# 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_jgb0205
_database_code_depnum_ccdc_archive 'CCDC 1446699'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H108 Br2 O2 Os P2'
_chemical_formula_weight         1225.38

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'
O O 0.0106 0.0060 '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'
Br Br -0.2901 2.4595 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.087(5)
_cell_length_b                   14.893(6)
_cell_length_c                   16.063(6)
_cell_angle_alpha                87.847(7)
_cell_angle_beta                 68.832(6)
_cell_angle_gamma                73.272(6)
_cell_volume                     3001.1(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1797
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      27.16

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1272
_exptl_absorpt_coefficient_mu    3.545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2249
_exptl_absorpt_correction_T_max  0.9325
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31866
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0734
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         27.50
_reflns_number_total             13513
_reflns_number_gt                10795
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX-II (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  APEX-II(BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        APEX-II
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; calc 
 [0.00000+1.00000exp(1.00(sinθ/λ)²)]/ 
   [σ²(Fo²)+0.0000+0.0000*P+(0.0360P)²+0.0000sinθ/λ] 
 where P = 0.33333Fo² + 0.66667Fc² 
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13513
_refine_ls_number_parameters     568
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.0923
_refine_ls_wR_factor_gt          0.0854
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os -0.049111(11) 0.786915(10) 0.569545(10) 0.01881(5) Uani 1 1 d . . .
Br1 Br -0.00412(3) 0.85781(3) 0.41594(3) 0.02960(10) Uani 1 1 d . . .
Br2 Br -0.16198(3) 0.69934(3) 0.52873(3) 0.02621(10) Uani 1 1 d . . .
P1 P 0.10140(7) 0.65290(7) 0.49968(7) 0.0197(2) Uani 1 1 d . . .
P2 P -0.20634(7) 0.91838(7) 0.63059(7) 0.0216(2) Uani 1 1 d . . .
C1 C 0.0368(3) 0.8467(3) 0.5980(3) 0.0248(9) Uani 1 1 d . . .
O1 O 0.0891(2) 0.8804(2) 0.6158(2) 0.0366(7) Uani 1 1 d . . .
C2 C -0.0882(3) 0.7343(3) 0.6836(3) 0.0261(10) Uani 1 1 d . . .
O2 O -0.1117(2) 0.7064(2) 0.7465(2) 0.0283(6) Uani 1 1 d . . .
C3 C 0.1096(3) 0.6095(3) 0.3922(3) 0.0240(9) Uani 1 1 d . . .
H3A H 0.0484 0.5849 0.4026 0.029 Uiso 1 1 calc R . .
H3B H 0.1018 0.6634 0.3547 0.029 Uiso 1 1 calc R . .
C4 C 0.2114(3) 0.5328(3) 0.3393(3) 0.0249(9) Uani 1 1 d . . .
H4A H 0.2719 0.5597 0.3180 0.030 Uiso 1 1 calc R . .
H4B H 0.2268 0.4827 0.3790 0.030 Uiso 1 1 calc R . .
C5 C 0.2006(3) 0.4907(3) 0.2597(3) 0.0286(9) Uani 1 1 d . . .
H5A H 0.1737 0.5426 0.2260 0.034 Uiso 1 1 calc R . .
H5B H 0.1467 0.4564 0.2822 0.034 Uiso 1 1 calc R . .
C6 C 0.3033(3) 0.4241(3) 0.1959(3) 0.0354(11) Uani 1 1 d . . .
H6A H 0.2869 0.3954 0.1501 0.043 Uiso 1 1 calc R . .
H6B H 0.3304 0.3728 0.2299 0.043 Uiso 1 1 calc R . .
C7 C 0.3917(3) 0.4691(4) 0.1480(3) 0.0400(12) Uani 1 1 d . . .
H7A H 0.4204 0.4838 0.1920 0.048 Uiso 1 1 calc R . .
H7B H 0.4502 0.4224 0.1018 0.048 Uiso 1 1 calc R . .
C8 C 0.3582(3) 0.5582(3) 0.1035(3) 0.0379(11) Uani 1 1 d . . .
H8A H 0.3051 0.6071 0.1505 0.045 Uiso 1 1 calc R . .
H8B H 0.4212 0.5808 0.0741 0.045 Uiso 1 1 calc R . .
C9 C 0.3110(4) 0.5478(4) 0.0345(3) 0.0399(12) Uani 1 1 d . . .
H9A H 0.2452 0.5295 0.0649 0.048 Uiso 1 1 calc R . .
H9B H 0.3620 0.4957 -0.0100 0.048 Uiso 1 1 calc R . .
C10 C 0.2839(4) 0.6353(4) -0.0155(3) 0.0434(12) Uani 1 1 d . . .
H10A H 0.3503 0.6517 -0.0484 0.052 Uiso 1 1 calc R . .
H10B H 0.2569 0.6194 -0.0603 0.052 Uiso 1 1 calc R . .
C11 C 0.2021(4) 0.7213(3) 0.0430(3) 0.0430(12) Uani 1 1 d . . .
H11A H 0.1926 0.7742 0.0046 0.052 Uiso 1 1 calc R . .
H11B H 0.2303 0.7393 0.0860 0.052 Uiso 1 1 calc R . .
C12 C 0.0931(4) 0.7073(3) 0.0954(3) 0.0416(12) Uani 1 1 d . . .
H12A H 0.0659 0.6866 0.0530 0.050 Uiso 1 1 calc R . .
H12B H 0.1016 0.6569 0.1365 0.050 Uiso 1 1 calc R . .
C13 C 0.0128(4) 0.7956(3) 0.1491(3) 0.0411(12) Uani 1 1 d . . .
H13A H 0.0034 0.8450 0.1074 0.049 Uiso 1 1 calc R . .
H13B H 0.0422 0.8174 0.1893 0.049 Uiso 1 1 calc R . .
C14 C -0.0965(4) 0.7854(3) 0.2056(3) 0.0408(12) Uani 1 1 d . . .
H14A H -0.1251 0.7610 0.1663 0.049 Uiso 1 1 calc R . .
H14B H -0.0883 0.7388 0.2500 0.049 Uiso 1 1 calc R . .
C15 C -0.1753(3) 0.8768(3) 0.2543(3) 0.0373(11) Uani 1 1 d . . .
H15A H -0.1867 0.9220 0.2096 0.045 Uiso 1 1 calc R . .
H15B H -0.1442 0.9033 0.2903 0.045 Uiso 1 1 calc R . .
C16 C -0.2826(4) 0.8676(4) 0.3158(3) 0.0406(12) Uani 1 1 d . . .
H16A H -0.2709 0.8211 0.3594 0.049 Uiso 1 1 calc R . .
H16B H -0.3145 0.8428 0.2795 0.049 Uiso 1 1 calc R . .
C17 C -0.3615(4) 0.9592(4) 0.3670(3) 0.0424(12) Uani 1 1 d . . .
H17A H -0.4284 0.9462 0.4052 0.051 Uiso 1 1 calc R . .
H17B H -0.3783 1.0037 0.3234 0.051 Uiso 1 1 calc R . .
C18 C -0.3232(3) 1.0068(3) 0.4262(3) 0.0349(10) Uani 1 1 d . . .
H18A H -0.2604 1.0257 0.3875 0.042 Uiso 1 1 calc R . .
H18B H -0.3801 1.0647 0.4572 0.042 Uiso 1 1 calc R . .
C19 C -0.2935(3) 0.9454(3) 0.4954(3) 0.0287(9) Uani 1 1 d . . .
H19A H -0.2380 0.8867 0.4646 0.034 Uiso 1 1 calc R . .
H19B H -0.3569 0.9280 0.5352 0.034 Uiso 1 1 calc R . .
C20 C -0.2524(3) 0.9925(3) 0.5522(3) 0.0269(9) Uani 1 1 d . . .
H20A H -0.3101 1.0486 0.5862 0.032 Uiso 1 1 calc R . .
H20B H -0.1930 1.0145 0.5117 0.032 Uiso 1 1 calc R . .
C21 C 0.1000(3) 0.5514(3) 0.5673(3) 0.0232(8) Uani 1 1 d . . .
H21A H 0.0270 0.5451 0.5896 0.028 Uiso 1 1 calc R . .
H21B H 0.1479 0.4943 0.5280 0.028 Uiso 1 1 calc R . .
C22 C 0.1337(3) 0.5548(3) 0.6477(3) 0.0268(9) Uani 1 1 d . . .
H22A H 0.2107 0.5487 0.6259 0.032 Uiso 1 1 calc R . .
H22B H 0.0946 0.6164 0.6822 0.032 Uiso 1 1 calc R . .
C23 C 0.1115(3) 0.4764(3) 0.7092(3) 0.0315(10) Uani 1 1 d . . .
H23A H 0.0354 0.4801 0.7273 0.038 Uiso 1 1 calc R . .
H23B H 0.1541 0.4150 0.6752 0.038 Uiso 1 1 calc R . .
C24 C 0.1371(4) 0.4804(3) 0.7931(3) 0.0363(11) Uani 1 1 d . . .
H24A H 0.1304 0.4226 0.8243 0.044 Uiso 1 1 calc R . .
H24B H 0.2123 0.4799 0.7746 0.044 Uiso 1 1 calc R . .
C25 C 0.0684(4) 0.5644(4) 0.8589(3) 0.0383(11) Uani 1 1 d . . .
H25A H 0.0688 0.6221 0.8264 0.046 Uiso 1 1 calc R . .
H25B H 0.1008 0.5666 0.9039 0.046 Uiso 1 1 calc R . .
C26 C -0.0472(3) 0.5654(3) 0.9082(3) 0.0349(10) Uani 1 1 d . . .
H26A H -0.0791 0.5594 0.8637 0.042 Uiso 1 1 calc R . .
H26B H -0.0486 0.5105 0.9447 0.042 Uiso 1 1 calc R . .
C27 C -0.1140(4) 0.6547(4) 0.9686(3) 0.0471(13) Uani 1 1 d . . .
H27A H -0.0783 0.6629 1.0096 0.056 Uiso 1 1 calc R . .
H27B H -0.1159 0.7089 0.9310 0.056 Uiso 1 1 calc R . .
C28 C -0.2276(4) 0.6568(4) 1.0243(3) 0.0440(12) Uani 1 1 d . . .
H28A H -0.2607 0.6405 0.9844 0.053 Uiso 1 1 calc R . .
H28B H -0.2262 0.6080 1.0678 0.053 Uiso 1 1 calc R . .
C29 C -0.2964(4) 0.7510(5) 1.0749(4) 0.0612(17) Uani 1 1 d . . .
H29A H -0.2548 0.7733 1.1034 0.073 Uiso 1 1 calc R . .
H29B H -0.3093 0.7963 1.0306 0.073 Uiso 1 1 calc R . .
C30 C -0.4025(5) 0.7549(5) 1.1460(4) 0.0706(18) Uani 1 1 d . . .
H30A H -0.3892 0.7225 1.1974 0.085 Uiso 1 1 calc R . .
H30B H -0.4413 0.8217 1.1669 0.085 Uiso 1 1 calc R . .
C31 C -0.4725(5) 0.7145(5) 1.1216(4) 0.0742(19) Uani 1 1 d . . .
H31A H -0.5394 0.7232 1.1741 0.089 Uiso 1 1 calc R . .
H31B H -0.4379 0.6460 1.1075 0.089 Uiso 1 1 calc R . .
C32 C -0.5013(6) 0.7579(5) 1.0390(4) 0.077(2) Uani 1 1 d . . .
H32A H -0.4348 0.7511 0.9865 0.092 Uiso 1 1 calc R . .
H32B H -0.5433 0.7226 1.0237 0.092 Uiso 1 1 calc R . .
C33 C -0.5587(5) 0.8513(5) 1.0576(5) 0.077(2) Uani 1 1 d . . .
H33A H -0.5166 0.8869 1.0721 0.093 Uiso 1 1 calc R . .
H33B H -0.6251 0.8584 1.1103 0.093 Uiso 1 1 calc R . .
C34 C -0.5879(4) 0.8931(6) 0.9723(4) 0.075(2) Uani 1 1 d . . .
H34A H -0.6236 0.8533 0.9543 0.090 Uiso 1 1 calc R . .
H34B H -0.6383 0.9572 0.9898 0.090 Uiso 1 1 calc R . .
C35 C -0.4889(4) 0.8970(4) 0.8928(4) 0.0501(14) Uani 1 1 d . . .
H35A H -0.4397 0.8326 0.8741 0.060 Uiso 1 1 calc R . .
H35B H -0.4518 0.9349 0.9117 0.060 Uiso 1 1 calc R . .
C36 C -0.5156(3) 0.9399(4) 0.8125(3) 0.0440(12) Uani 1 1 d . . .
H36A H -0.5337 0.8936 0.7828 0.053 Uiso 1 1 calc R . .
H36B H -0.5787 0.9961 0.8340 0.053 Uiso 1 1 calc R . .
C37 C -0.4232(3) 0.9675(3) 0.7457(3) 0.0336(10) Uani 1 1 d . . .
H37A H -0.4053 1.0133 0.7761 0.040 Uiso 1 1 calc R . .
H37B H -0.4456 0.9993 0.6977 0.040 Uiso 1 1 calc R . .
C38 C -0.3227(3) 0.8844(3) 0.7028(3) 0.0263(9) Uani 1 1 d . . .
H38A H -0.3386 0.8420 0.6671 0.032 Uiso 1 1 calc R . .
H38B H -0.3049 0.8486 0.7511 0.032 Uiso 1 1 calc R . .
C39 C 0.2328(3) 0.6658(3) 0.4806(3) 0.0229(8) Uani 1 1 d . . .
H39A H 0.2322 0.6881 0.5381 0.027 Uiso 1 1 calc R . .
H39B H 0.2856 0.6028 0.4631 0.027 Uiso 1 1 calc R . .
C40 C 0.2715(3) 0.7323(3) 0.4099(3) 0.0293(9) Uani 1 1 d . . .
H40A H 0.2177 0.7949 0.4242 0.035 Uiso 1 1 calc R . .
H40B H 0.2797 0.7076 0.3505 0.035 Uiso 1 1 calc R . .
C41 C 0.3785(3) 0.7422(3) 0.4063(3) 0.0332(10) Uani 1 1 d . . .
H41A H 0.3970 0.7905 0.3646 0.040 Uiso 1 1 calc R . .
H41B H 0.3696 0.7652 0.4665 0.040 Uiso 1 1 calc R . .
C42 C 0.4705(3) 0.6528(3) 0.3773(3) 0.0372(11) Uani 1 1 d . . .
H42A H 0.4836 0.6322 0.3152 0.045 Uiso 1 1 calc R . .
H42B H 0.4505 0.6029 0.4162 0.045 Uiso 1 1 calc R . .
C43 C 0.5747(4) 0.6640(4) 0.3813(4) 0.0541(15) Uani 1 1 d . . .
H43A H 0.6322 0.6045 0.3566 0.065 Uiso 1 1 calc R . .
H43B H 0.5943 0.7137 0.3419 0.065 Uiso 1 1 calc R . .
C44 C 0.5707(4) 0.6884(4) 0.4730(4) 0.0564(15) Uani 1 1 d . . .
H44A H 0.5154 0.7492 0.4971 0.068 Uiso 1 1 calc R . .
H44B H 0.6400 0.6967 0.4672 0.068 Uiso 1 1 calc R . .
C45 C 0.5469(4) 0.6156(5) 0.5394(4) 0.0619(16) Uani 1 1 d . . .
H45A H 0.4740 0.6131 0.5503 0.074 Uiso 1 1 calc R . .
H45B H 0.5967 0.5534 0.5116 0.074 Uiso 1 1 calc R . .
C46 C 0.5550(5) 0.6315(5) 0.6284(5) 0.079(2) Uani 1 1 d . . .
H46A H 0.5489 0.5753 0.6624 0.095 Uiso 1 1 calc R . .
H46B H 0.6263 0.6382 0.6177 0.095 Uiso 1 1 calc R . .
C47 C 0.4749(5) 0.7134(5) 0.6826(5) 0.078(2) Uani 1 1 d . . .
H47A H 0.4782 0.7687 0.6466 0.094 Uiso 1 1 calc R . .
H47B H 0.4937 0.7240 0.7344 0.094 Uiso 1 1 calc R . .
C48 C 0.3590(4) 0.7094(5) 0.7184(4) 0.0688(18) Uani 1 1 d . . .
H48A H 0.3401 0.6967 0.6673 0.083 Uiso 1 1 calc R . .
H48B H 0.3538 0.6566 0.7573 0.083 Uiso 1 1 calc R . .
C49 C 0.2794(4) 0.7995(4) 0.7710(4) 0.0584(15) Uani 1 1 d . . .
H49A H 0.3005 0.8137 0.8203 0.070 Uiso 1 1 calc R . .
H49B H 0.2827 0.8518 0.7311 0.070 Uiso 1 1 calc R . .
C50 C 0.1672(4) 0.7957(4) 0.8097(4) 0.0491(13) Uani 1 1 d . . .
H50A H 0.1608 0.7520 0.8580 0.059 Uiso 1 1 calc R . .
H50B H 0.1503 0.7700 0.7625 0.059 Uiso 1 1 calc R . .
C51 C 0.0870(4) 0.8897(4) 0.8468(4) 0.0456(12) Uani 1 1 d . . .
H51A H 0.0864 0.9311 0.7972 0.055 Uiso 1 1 calc R . .
H51B H 0.1085 0.9191 0.8886 0.055 Uiso 1 1 calc R . .
C52 C -0.0246(4) 0.8818(4) 0.8958(3) 0.0463(13) Uani 1 1 d . . .
H52A H -0.0381 0.8382 0.8596 0.056 Uiso 1 1 calc R . .
H52B H -0.0274 0.8538 0.9532 0.056 Uiso 1 1 calc R . .
C53 C -0.1130(4) 0.9739(4) 0.9154(3) 0.0495(14) Uani 1 1 d . . .
H53A H -0.0956 1.0198 0.9462 0.059 Uiso 1 1 calc R . .
H53B H -0.1798 0.9635 0.9571 0.059 Uiso 1 1 calc R . .
C54 C -0.1326(4) 1.0172(3) 0.8329(3) 0.0396(12) Uani 1 1 d . . .
H54A H -0.1851 1.0803 0.8514 0.048 Uiso 1 1 calc R . .
H54B H -0.0652 1.0254 0.7899 0.048 Uiso 1 1 calc R . .
C55 C -0.1730(3) 0.9591(3) 0.7864(3) 0.0320(10) Uani 1 1 d . . .
H55A H -0.2415 0.9526 0.8289 0.038 Uiso 1 1 calc R . .
H55B H -0.1216 0.8953 0.7698 0.038 Uiso 1 1 calc R . .
C56 C -0.1896(3) 1.0001(3) 0.7019(3) 0.0289(10) Uani 1 1 d . . .
H56A H -0.1277 1.0218 0.6665 0.035 Uiso 1 1 calc R . .
H56B H -0.2535 1.0558 0.7201 0.035 Uiso 1 1 calc R . .


_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 C1 1.875(4) . ?
Os1 C2 1.920(5) . ?
Os1 P1 2.3983(11) . ?
Os1 P2 2.4041(12) . ?
Os1 Br1 2.5816(9) . ?
Os1 Br2 2.5826(7) . ?
P1 C3 1.819(4) . ?
P1 C21 1.828(4) . ?
P1 C39 1.830(4) . ?
P2 C20 1.816(4) . ?
P2 C56 1.820(4) . ?
P2 C38 1.830(4) . ?
C1 O1 1.119(5) . ?
C2 O2 1.053(5) . ?
C3 C4 1.527(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.519(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.519(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.530(6) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.519(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.516(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.531(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.520(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.532(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.509(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.526(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.510(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.519(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.525(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.528(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.512(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.525(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.536(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.528(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.522(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.511(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.527(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.521(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.518(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.518(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.505(7) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.458(9) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.586(9) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.374(9) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.621(9) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.528(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.537(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.511(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.536(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.531(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.537(5) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.512(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.549(6) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.508(8) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.511(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.507(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.449(9) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.541(8) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.519(8) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.492(7) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.502(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.519(7) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.516(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.531(7) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.507(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.535(6) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Os1 C2 92.97(16) . . ?
C1 Os1 P1 91.15(12) . . ?
C2 Os1 P1 93.73(11) . . ?
C1 Os1 P2 93.10(12) . . ?
C2 Os1 P2 88.55(11) . . ?
P1 Os1 P2 175.07(3) . . ?
C1 Os1 Br1 89.14(12) . . ?
C2 Os1 Br1 177.58(11) . . ?
P1 Os1 Br1 87.41(3) . . ?
P2 Os1 Br1 90.15(3) . . ?
C1 Os1 Br2 178.05(11) . . ?
C2 Os1 Br2 86.84(11) . . ?
P1 Os1 Br2 86.93(4) . . ?
P2 Os1 Br2 88.84(4) . . ?
Br1 Os1 Br2 91.09(2) . . ?
C3 P1 C21 104.23(19) . . ?
C3 P1 C39 105.52(18) . . ?
C21 P1 C39 102.34(18) . . ?
C3 P1 Os1 114.38(13) . . ?
C21 P1 Os1 112.32(13) . . ?
C39 P1 Os1 116.65(13) . . ?
C20 P2 C56 103.8(2) . . ?
C20 P2 C38 104.57(19) . . ?
C56 P2 C38 104.41(19) . . ?
C20 P2 Os1 117.55(14) . . ?
C56 P2 Os1 111.99(14) . . ?
C38 P2 Os1 113.23(14) . . ?
O1 C1 Os1 178.2(4) . . ?
O2 C2 Os1 178.6(4) . . ?
C4 C3 P1 116.3(3) . . ?
C4 C3 H3A 108.2 . . ?
P1 C3 H3A 108.2 . . ?
C4 C3 H3B 108.2 . . ?
P1 C3 H3B 108.2 . . ?
H3A C3 H3B 107.4 . . ?
C5 C4 C3 111.1(3) . . ?
C5 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
C5 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C4 C5 C6 114.4(3) . . ?
C4 C5 H5A 108.7 . . ?
C6 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
C6 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C5 C6 C7 115.2(4) . . ?
C5 C6 H6A 108.5 . . ?
C7 C6 H6A 108.5 . . ?
C5 C6 H6B 108.5 . . ?
C7 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
C8 C7 C6 115.2(4) . . ?
C8 C7 H7A 108.5 . . ?
C6 C7 H7A 108.5 . . ?
C8 C7 H7B 108.5 . . ?
C6 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C9 C8 C7 115.1(4) . . ?
C9 C8 H8A 108.5 . . ?
C7 C8 H8A 108.5 . . ?
C9 C8 H8B 108.5 . . ?
C7 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C8 C9 C10 115.6(4) . . ?
C8 C9 H9A 108.4 . . ?
C10 C9 H9A 108.4 . . ?
C8 C9 H9B 108.4 . . ?
C10 C9 H9B 108.4 . . ?
H9A C9 H9B 107.4 . . ?
C11 C10 C9 115.3(4) . . ?
C11 C10 H10A 108.4 . . ?
C9 C10 H10A 108.4 . . ?
C11 C10 H10B 108.4 . . ?
C9 C10 H10B 108.4 . . ?
H10A C10 H10B 107.5 . . ?
C10 C11 C12 114.3(4) . . ?
C10 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
C10 C11 H11B 108.7 . . ?
C12 C11 H11B 108.7 . . ?
H11A C11 H11B 107.6 . . ?
C13 C12 C11 112.6(4) . . ?
C13 C12 H12A 109.1 . . ?
C11 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 C14 115.3(4) . . ?
C12 C13 H13A 108.5 . . ?
C14 C13 H13A 108.5 . . ?
C12 C13 H13B 108.5 . . ?
C14 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C13 113.1(4) . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C16 114.2(4) . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15B 108.7 . . ?
C16 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 C17 114.4(4) . . ?
C15 C16 H16A 108.7 . . ?
C17 C16 H16A 108.7 . . ?
C15 C16 H16B 108.7 . . ?
C17 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C16 C17 C18 115.0(4) . . ?
C16 C17 H17A 108.5 . . ?
C18 C17 H17A 108.5 . . ?
C16 C17 H17B 108.5 . . ?
C18 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C17 113.8(4) . . ?
C19 C18 H18A 108.8 . . ?
C17 C18 H18A 108.8 . . ?
C19 C18 H18B 108.8 . . ?
C17 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
C18 C19 C20 113.4(4) . . ?
C18 C19 H19A 108.9 . . ?
C20 C19 H19A 108.9 . . ?
C18 C19 H19B 108.9 . . ?
C20 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C19 C20 P2 115.0(3) . . ?
C19 C20 H20A 108.5 . . ?
P2 C20 H20A 108.5 . . ?
C19 C20 H20B 108.5 . . ?
P2 C20 H20B 108.5 . . ?
H20A C20 H20B 107.5 . . ?
C22 C21 P1 115.7(3) . . ?
C22 C21 H21A 108.4 . . ?
P1 C21 H21A 108.4 . . ?
C22 C21 H21B 108.4 . . ?
P1 C21 H21B 108.4 . . ?
H21A C21 H21B 107.4 . . ?
C23 C22 C21 111.9(3) . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
C21 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 113.9(4) . . ?
C24 C23 H23A 108.8 . . ?
C22 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C25 C24 C23 115.6(4) . . ?
C25 C24 H24A 108.4 . . ?
C23 C24 H24A 108.4 . . ?
C25 C24 H24B 108.4 . . ?
C23 C24 H24B 108.4 . . ?
H24A C24 H24B 107.4 . . ?
C24 C25 C26 115.2(4) . . ?
C24 C25 H25A 108.5 . . ?
C26 C25 H25A 108.5 . . ?
C24 C25 H25B 108.5 . . ?
C26 C25 H25B 108.5 . . ?
H25A C25 H25B 107.5 . . ?
C27 C26 C25 112.6(4) . . ?
C27 C26 H26A 109.1 . . ?
C25 C26 H26A 109.1 . . ?
C27 C26 H26B 109.1 . . ?
C25 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
C28 C27 C26 115.0(4) . . ?
C28 C27 H27A 108.5 . . ?
C26 C27 H27A 108.5 . . ?
C28 C27 H27B 108.5 . . ?
C26 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C29 C28 C27 113.8(4) . . ?
C29 C28 H28A 108.8 . . ?
C27 C28 H28A 108.8 . . ?
C29 C28 H28B 108.8 . . ?
C27 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C30 C29 C28 117.7(5) . . ?
C30 C29 H29A 107.9 . . ?
C28 C29 H29A 107.9 . . ?
C30 C29 H29B 107.9 . . ?
C28 C29 H29B 107.9 . . ?
H29A C29 H29B 107.2 . . ?
C31 C30 C29 117.5(5) . . ?
C31 C30 H30A 107.9 . . ?
C29 C30 H30A 107.9 . . ?
C31 C30 H30B 107.9 . . ?
C29 C30 H30B 107.9 . . ?
H30A C30 H30B 107.2 . . ?
C30 C31 C32 114.7(6) . . ?
C30 C31 H31A 108.6 . . ?
C32 C31 H31A 108.6 . . ?
C30 C31 H31B 108.6 . . ?
C32 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C33 C32 C31 111.6(6) . . ?
C33 C32 H32A 109.3 . . ?
C31 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
C31 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C32 C33 C34 110.3(6) . . ?
C32 C33 H33A 109.6 . . ?
C34 C33 H33A 109.6 . . ?
C32 C33 H33B 109.6 . . ?
C34 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
C35 C34 C33 111.9(4) . . ?
C35 C34 H34A 109.2 . . ?
C33 C34 H34A 109.2 . . ?
C35 C34 H34B 109.2 . . ?
C33 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C34 C35 C36 112.5(4) . . ?
C34 C35 H35A 109.1 . . ?
C36 C35 H35A 109.1 . . ?
C34 C35 H35B 109.1 . . ?
C36 C35 H35B 109.1 . . ?
H35A C35 H35B 107.8 . . ?
C37 C36 C35 111.3(4) . . ?
C37 C36 H36A 109.4 . . ?
C35 C36 H36A 109.4 . . ?
C37 C36 H36B 109.4 . . ?
C35 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
C36 C37 C38 114.0(4) . . ?
C36 C37 H37A 108.8 . . ?
C38 C37 H37A 108.8 . . ?
C36 C37 H37B 108.8 . . ?
C38 C37 H37B 108.8 . . ?
H37A C37 H37B 107.6 . . ?
C37 C38 P2 114.3(3) . . ?
C37 C38 H38A 108.7 . . ?
P2 C38 H38A 108.7 . . ?
C37 C38 H38B 108.7 . . ?
P2 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 P1 116.9(3) . . ?
C40 C39 H39A 108.1 . . ?
P1 C39 H39A 108.1 . . ?
C40 C39 H39B 108.1 . . ?
P1 C39 H39B 108.1 . . ?
H39A C39 H39B 107.3 . . ?
C39 C40 C41 111.1(3) . . ?
C39 C40 H40A 109.4 . . ?
C41 C40 H40A 109.4 . . ?
C39 C40 H40B 109.4 . . ?
C41 C40 H40B 109.4 . . ?
H40A C40 H40B 108.0 . . ?
C42 C41 C40 114.9(3) . . ?
C42 C41 H41A 108.5 . . ?
C40 C41 H41A 108.5 . . ?
C42 C41 H41B 108.5 . . ?
C40 C41 H41B 108.5 . . ?
H41A C41 H41B 107.5 . . ?
C41 C42 C43 113.3(4) . . ?
C41 C42 H42A 108.9 . . ?
C43 C42 H42A 108.9 . . ?
C41 C42 H42B 108.9 . . ?
C43 C42 H42B 108.9 . . ?
H42A C42 H42B 107.7 . . ?
C44 C43 C42 115.7(4) . . ?
C44 C43 H43A 108.3 . . ?
C42 C43 H43A 108.3 . . ?
C44 C43 H43B 108.3 . . ?
C42 C43 H43B 108.3 . . ?
H43A C43 H43B 107.4 . . ?
C43 C44 C45 114.2(5) . . ?
C43 C44 H44A 108.7 . . ?
C45 C44 H44A 108.7 . . ?
C43 C44 H44B 108.7 . . ?
C45 C44 H44B 108.7 . . ?
H44A C44 H44B 107.6 . . ?
C46 C45 C44 115.9(6) . . ?
C46 C45 H45A 108.3 . . ?
C44 C45 H45A 108.3 . . ?
C46 C45 H45B 108.3 . . ?
C44 C45 H45B 108.3 . . ?
H45A C45 H45B 107.4 . . ?
C47 C46 C45 114.2(6) . . ?
C47 C46 H46A 108.7 . . ?
C45 C46 H46A 108.7 . . ?
C47 C46 H46B 108.7 . . ?
C45 C46 H46B 108.7 . . ?
H46A C46 H46B 107.6 . . ?
C46 C47 C48 116.4(6) . . ?
C46 C47 H47A 108.2 . . ?
C48 C47 H47A 108.2 . . ?
C46 C47 H47B 108.2 . . ?
C48 C47 H47B 108.2 . . ?
H47A C47 H47B 107.3 . . ?
C49 C48 C47 113.2(5) . . ?
C49 C48 H48A 108.9 . . ?
C47 C48 H48A 108.9 . . ?
C49 C48 H48B 108.9 . . ?
C47 C48 H48B 108.9 . . ?
H48A C48 H48B 107.8 . . ?
C50 C49 C48 114.1(5) . . ?
C50 C49 H49A 108.7 . . ?
C48 C49 H49A 108.7 . . ?
C50 C49 H49B 108.7 . . ?
C48 C49 H49B 108.7 . . ?
H49A C49 H49B 107.6 . . ?
C49 C50 C51 113.6(4) . . ?
C49 C50 H50A 108.9 . . ?
C51 C50 H50A 108.9 . . ?
C49 C50 H50B 108.9 . . ?
C51 C50 H50B 108.9 . . ?
H50A C50 H50B 107.7 . . ?
C50 C51 C52 112.3(4) . . ?
C50 C51 H51A 109.1 . . ?
C52 C51 H51A 109.1 . . ?
C50 C51 H51B 109.1 . . ?
C52 C51 H51B 109.1 . . ?
H51A C51 H51B 107.9 . . ?
C53 C52 C51 115.0(4) . . ?
C53 C52 H52A 108.5 . . ?
C51 C52 H52A 108.5 . . ?
C53 C52 H52B 108.5 . . ?
C51 C52 H52B 108.5 . . ?
H52A C52 H52B 107.5 . . ?
C52 C53 C54 114.9(4) . . ?
C52 C53 H53A 108.5 . . ?
C54 C53 H53A 108.5 . . ?
C52 C53 H53B 108.5 . . ?
C54 C53 H53B 108.5 . . ?
H53A C53 H53B 107.5 . . ?
C55 C54 C53 113.7(4) . . ?
C55 C54 H54A 108.8 . . ?
C53 C54 H54A 108.8 . . ?
C55 C54 H54B 108.8 . . ?
C53 C54 H54B 108.8 . . ?
H54A C54 H54B 107.7 . . ?
C54 C55 C56 114.2(4) . . ?
C54 C55 H55A 108.7 . . ?
C56 C55 H55A 108.7 . . ?
C54 C55 H55B 108.7 . . ?
C56 C55 H55B 108.7 . . ?
H55A C55 H55B 107.6 . . ?
C55 C56 P2 114.4(3) . . ?
C55 C56 H56A 108.7 . . ?
P2 C56 H56A 108.7 . . ?
C55 C56 H56B 108.7 . . ?
P2 C56 H56B 108.7 . . ?
H56A C56 H56B 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Os1 P1 C3 -134.99(19) . . . . ?
C2 Os1 P1 C3 131.96(18) . . . . ?
P2 Os1 P1 C3 14.4(5) . . . . ?
Br1 Os1 P1 C3 -45.91(15) . . . . ?
Br2 Os1 P1 C3 45.33(15) . . . . ?
C1 Os1 P1 C21 106.47(18) . . . . ?
C2 Os1 P1 C21 13.42(17) . . . . ?
P2 Os1 P1 C21 -104.1(4) . . . . ?
Br1 Os1 P1 C21 -164.45(13) . . . . ?
Br2 Os1 P1 C21 -73.21(13) . . . . ?
C1 Os1 P1 C39 -11.21(19) . . . . ?
C2 Os1 P1 C39 -104.26(18) . . . . ?
P2 Os1 P1 C39 138.2(4) . . . . ?
Br1 Os1 P1 C39 77.88(15) . . . . ?
Br2 Os1 P1 C39 169.11(15) . . . . ?
C1 Os1 P2 C20 104.48(19) . . . . ?
C2 Os1 P2 C20 -162.62(18) . . . . ?
P1 Os1 P2 C20 -44.9(5) . . . . ?
Br1 Os1 P2 C20 15.34(15) . . . . ?
Br2 Os1 P2 C20 -75.75(15) . . . . ?
C1 Os1 P2 C56 -15.6(2) . . . . ?
C2 Os1 P2 C56 77.3(2) . . . . ?
P1 Os1 P2 C56 -165.0(4) . . . . ?
Br1 Os1 P2 C56 -104.73(16) . . . . ?
Br2 Os1 P2 C56 164.19(16) . . . . ?
C1 Os1 P2 C38 -133.33(19) . . . . ?
C2 Os1 P2 C38 -40.43(18) . . . . ?
P1 Os1 P2 C38 77.3(5) . . . . ?
Br1 Os1 P2 C38 137.53(15) . . . . ?
Br2 Os1 P2 C38 46.44(15) . . . . ?
C2 Os1 C1 O1 46(12) . . . . ?
P1 Os1 C1 O1 -48(12) . . . . ?
P2 Os1 C1 O1 135(12) . . . . ?
Br1 Os1 C1 O1 -135(12) . . . . ?
Br2 Os1 C1 O1 -39(15) . . . . ?
C1 Os1 C2 O2 115(15) . . . . ?
P1 Os1 C2 O2 -154(15) . . . . ?
P2 Os1 C2 O2 22(15) . . . . ?
Br1 Os1 C2 O2 -36(17) . . . . ?
Br2 Os1 C2 O2 -67(15) . . . . ?
C21 P1 C3 C4 -64.8(3) . . . . ?
C39 P1 C3 C4 42.6(3) . . . . ?
Os1 P1 C3 C4 172.1(2) . . . . ?
P1 C3 C4 C5 170.0(3) . . . . ?
C3 C4 C5 C6 171.5(4) . . . . ?
C4 C5 C6 C7 -64.1(5) . . . . ?
C5 C6 C7 C8 -49.8(5) . . . . ?
C6 C7 C8 C9 -57.5(5) . . . . ?
C7 C8 C9 C10 -176.0(4) . . . . ?
C8 C9 C10 C11 -60.8(5) . . . . ?
C9 C10 C11 C12 -60.6(6) . . . . ?
C10 C11 C12 C13 -177.2(4) . . . . ?
C11 C12 C13 C14 -177.9(4) . . . . ?
C12 C13 C14 C15 -177.1(4) . . . . ?
C13 C14 C15 C16 -176.3(4) . . . . ?
C14 C15 C16 C17 178.4(4) . . . . ?
C15 C16 C17 C18 -58.1(6) . . . . ?
C16 C17 C18 C19 -57.6(5) . . . . ?
C17 C18 C19 C20 178.3(3) . . . . ?
C18 C19 C20 P2 -175.6(3) . . . . ?
C56 P2 C20 C19 -168.7(3) . . . . ?
C38 P2 C20 C19 -59.5(3) . . . . ?
Os1 P2 C20 C19 67.0(3) . . . . ?
C3 P1 C21 C22 158.7(3) . . . . ?
C39 P1 C21 C22 48.9(3) . . . . ?
Os1 P1 C21 C22 -77.0(3) . . . . ?
P1 C21 C22 C23 170.0(3) . . . . ?
C21 C22 C23 C24 -176.4(3) . . . . ?
C22 C23 C24 C25 66.2(5) . . . . ?
C23 C24 C25 C26 69.6(5) . . . . ?
C24 C25 C26 C27 -176.1(4) . . . . ?
C25 C26 C27 C28 -175.9(4) . . . . ?
C26 C27 C28 C29 -172.6(4) . . . . ?
C27 C28 C29 C30 -167.8(5) . . . . ?
C28 C29 C30 C31 -50.5(8) . . . . ?
C29 C30 C31 C32 -57.2(8) . . . . ?
C30 C31 C32 C33 -64.1(8) . . . . ?
C31 C32 C33 C34 -179.4(5) . . . . ?
C32 C33 C34 C35 -67.5(8) . . . . ?
C33 C34 C35 C36 -177.9(5) . . . . ?
C34 C35 C36 C37 164.4(5) . . . . ?
C35 C36 C37 C38 63.0(6) . . . . ?
C36 C37 C38 P2 -174.0(3) . . . . ?
C20 P2 C38 C37 -53.1(3) . . . . ?
C56 P2 C38 C37 55.6(3) . . . . ?
Os1 P2 C38 C37 177.7(3) . . . . ?
C3 P1 C39 C40 59.1(3) . . . . ?
C21 P1 C39 C40 167.9(3) . . . . ?
Os1 P1 C39 C40 -69.1(3) . . . . ?
P1 C39 C40 C41 175.5(3) . . . . ?
C39 C40 C41 C42 64.1(5) . . . . ?
C40 C41 C42 C43 -175.7(4) . . . . ?
C41 C42 C43 C44 62.9(6) . . . . ?
C42 C43 C44 C45 61.0(6) . . . . ?
C43 C44 C45 C46 173.0(5) . . . . ?
C44 C45 C46 C47 67.1(7) . . . . ?
C45 C46 C47 C48 67.3(9) . . . . ?
C46 C47 C48 C49 -177.4(6) . . . . ?
C47 C48 C49 C50 -177.5(5) . . . . ?
C48 C49 C50 C51 -169.4(5) . . . . ?
C49 C50 C51 C52 -172.9(4) . . . . ?
C50 C51 C52 C53 -165.9(4) . . . . ?
C51 C52 C53 C54 69.2(6) . . . . ?
C52 C53 C54 C55 65.4(6) . . . . ?
C53 C54 C55 C56 -178.2(4) . . . . ?
C54 C55 C56 P2 165.7(3) . . . . ?
C20 P2 C56 C55 168.1(3) . . . . ?
C38 P2 C56 C55 58.8(3) . . . . ?
Os1 P2 C56 C55 -64.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.546
_refine_diff_density_min         -1.896
_refine_diff_density_rms         0.125
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: C6D6 and MeOH'
####################################################################### 
# 
# 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_tf03
_database_code_depnum_ccdc_archive 'CCDC 1446700'
_audit_update_record             
;
2016-01-14 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45 H84 O3 Os P2'
_chemical_formula_weight         925.26

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'
O O 0.0106 0.0060 '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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.6848(5)
_cell_length_b                   14.0336(2)
_cell_length_c                   18.2091(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.109(1)
_cell_angle_gamma                90.00
_cell_volume                     4693.71(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5313
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      27.47

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_exptl_absorpt_coefficient_mu    2.820
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5391
_exptl_absorpt_correction_T_max  0.6024
_exptl_absorpt_process_details   Scalepack

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10253
_diffrn_reflns_av_R_equivalents  0.0150
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         27.47
_reflns_number_total             5368
_reflns_number_gt                5111
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Nonius Collect'
_computing_cell_refinement       DENZO-SMN
_computing_data_reduction        DENZO-SMN
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0236P)²+1.7630P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5368
_refine_ls_number_parameters     232
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0481
_refine_ls_wR_factor_gt          0.0474
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.0000 0.989412(6) 0.2500 0.02195(4) Uani 1 2 d S . .
P1 P 0.12806(3) 0.98758(3) 0.33336(3) 0.02204(10) Uani 1 1 d . . .
O1 O 0.00540(9) 0.88626(13) 0.10476(11) 0.0538(4) Uani 1 1 d . . .
C1 C 0.00291(10) 0.92449(14) 0.15952(13) 0.0337(4) Uani 1 1 d . . .
O2 O 0.0000 1.20715(15) 0.2500 0.0611(7) Uani 1 2 d S . .
C2 C 0.0000 1.1241(2) 0.2500 0.0356(6) Uani 1 2 d S . .
C11 C 0.17352(12) 1.00977(12) 0.27401(14) 0.0277(4) Uani 1 1 d . . .
H11A H 0.2266 1.0156 0.3162 0.033 Uiso 1 1 calc R . .
H11B H 0.1656 0.9543 0.2364 0.033 Uiso 1 1 calc R . .
C12 C 0.14660(10) 1.09969(14) 0.21807(13) 0.0303(4) Uani 1 1 d . . .
H12A H 0.0945 1.0916 0.1726 0.036 Uiso 1 1 calc R . .
H12B H 0.1506 1.1544 0.2547 0.036 Uiso 1 1 calc R . .
C13 C 0.18903(11) 1.12206(15) 0.17513(13) 0.0337(4) Uani 1 1 d . . .
H13A H 0.1938 1.0631 0.1487 0.040 Uiso 1 1 calc R . .
H13B H 0.2386 1.1433 0.2201 0.040 Uiso 1 1 calc R . .
C14 C 0.15300(12) 1.19910(15) 0.10525(13) 0.0358(5) Uani 1 1 d . . .
H14A H 0.1816 1.2070 0.0777 0.043 Uiso 1 1 calc R . .
H14B H 0.1037 1.1771 0.0600 0.043 Uiso 1 1 calc R . .
C15 C 0.14637(12) 1.29550(15) 0.13853(14) 0.0358(5) Uani 1 1 d . . .
H15A H 0.1947 1.3139 0.1886 0.043 Uiso 1 1 calc R . .
H15B H 0.1127 1.2894 0.1594 0.043 Uiso 1 1 calc R . .
C16 C 0.11879(13) 1.37508(16) 0.07074(15) 0.0419(5) Uani 1 1 d . . .
H16A H 0.1162 1.4348 0.0979 0.050 Uiso 1 1 calc R . .
H16B H 0.1549 1.3849 0.0539 0.050 Uiso 1 1 calc R . .
C17 C 0.04461(12) 1.35743(15) -0.01114(14) 0.0370(5) Uani 1 1 d . . .
H17A H 0.0472 1.2984 -0.0392 0.044 Uiso 1 1 calc R . .
H17B H 0.0335 1.4107 -0.0520 0.044 Uiso 1 1 calc R . .
C18 C -0.01733(13) 1.34788(16) 0.00485(14) 0.0380(5) Uani 1 1 d . . .
H18A H -0.0071 1.2932 0.0441 0.046 Uiso 1 1 calc R . .
H18B H -0.0190 1.4060 0.0346 0.046 Uiso 1 1 calc R . .
C19 C -0.09124(12) 1.33345(15) -0.07737(14) 0.0364(5) Uani 1 1 d . . .
H19A H -0.0912 1.2718 -0.1038 0.044 Uiso 1 1 calc R . .
H19B H -0.0992 1.3845 -0.1191 0.044 Uiso 1 1 calc R . .
C20 C -0.15451(12) 1.33416(15) -0.06267(15) 0.0393(5) Uani 1 1 d . . .
H20A H -0.1546 1.3960 -0.0365 0.047 Uiso 1 1 calc R . .
H20B H -0.2008 1.3295 -0.1196 0.047 Uiso 1 1 calc R . .
C21 C -0.15229(11) 1.25405(14) -0.00444(13) 0.0343(4) Uani 1 1 d . . .
H21A H -0.1030 1.2516 0.0486 0.041 Uiso 1 1 calc R . .
H21B H -0.1871 1.2692 0.0134 0.041 Uiso 1 1 calc R . .
C22 C -0.17082(12) 1.15609(15) -0.04735(13) 0.0376(5) Uani 1 1 d . . .
H22A H -0.1498 1.1505 -0.0840 0.045 Uiso 1 1 calc R . .
H22B H -0.2244 1.1503 -0.0857 0.045 Uiso 1 1 calc R . .
C23 C -0.14214(12) 1.07410(14) 0.01837(13) 0.0349(4) Uani 1 1 d . . .
H23A H -0.1562 1.0129 -0.0135 0.042 Uiso 1 1 calc R . .
H23B H -0.0883 1.0770 0.0535 0.042 Uiso 1 1 calc R . .
C24 C -0.17068(10) 1.07605(13) 0.07932(12) 0.0276(4) Uani 1 1 d . . .
H24A H -0.2239 1.0648 0.0449 0.033 Uiso 1 1 calc R . .
H24B H -0.1623 1.1403 0.1054 0.033 Uiso 1 1 calc R . .
C31 C 0.16789(10) 0.87480(13) 0.38959(12) 0.0279(4) Uani 1 1 d . . .
H31A H 0.2216 0.8793 0.4198 0.034 Uiso 1 1 calc R . .
H31B H 0.1555 0.8653 0.4342 0.034 Uiso 1 1 calc R . .
C32 C 0.14222(11) 0.78794(13) 0.32980(13) 0.0319(4) Uani 1 1 d . . .
H32A H 0.0892 0.7938 0.2873 0.038 Uiso 1 1 calc R . .
H32B H 0.1668 0.7877 0.2970 0.038 Uiso 1 1 calc R . .
C33 C 0.15701(10) 0.69352(13) 0.37733(12) 0.0294(4) Uani 1 1 d . . .
H33A H 0.2103 0.6840 0.4151 0.035 Uiso 1 1 calc R . .
H33B H 0.1368 0.6958 0.4149 0.035 Uiso 1 1 calc R . .
C34 C 0.12390(11) 0.60963(13) 0.31558(13) 0.0317(4) Uani 1 1 d . . .
H34A H 0.1449 0.6072 0.2788 0.038 Uiso 1 1 calc R . .
H34B H 0.0709 0.6204 0.2770 0.038 Uiso 1 1 calc R . .
C35 C 0.13607(15) 0.51376(13) 0.36033(15) 0.0366(5) Uani 1 1 d . . .
H35A H 0.1133 0.5150 0.3951 0.044 Uiso 1 1 calc R . .
H35B H 0.1890 0.5038 0.4006 0.044 Uiso 1 1 calc R . .
C36 C 0.10480(14) 0.42958(15) 0.29685(15) 0.0433(5) Uani 1 1 d . . .
H36A H 0.1307 0.4258 0.2656 0.052 Uiso 1 1 calc R . .
H36B H 0.1153 0.3701 0.3308 0.052 Uiso 1 1 calc R . .
C37 C 0.02369(13) 0.43389(14) 0.23050(13) 0.0388(5) Uani 1 1 d . . .
H37A H 0.0100 0.3785 0.1911 0.047 Uiso 1 1 calc R . .
H37B H 0.0131 0.4923 0.1952 0.047 Uiso 1 1 calc R . .


_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 C2 1.891(3) . ?
Os1 C1 1.913(2) . ?
Os1 C1 1.913(2) 2 ?
Os1 P1 2.3526(5) . ?
Os1 P1 2.3526(5) 2 ?
P1 C31 1.8328(18) . ?
P1 C24 1.8335(18) 2 ?
P1 C11 1.836(2) . ?
O1 C1 1.159(2) . ?
O2 C2 1.165(4) . ?
C11 C12 1.529(3) . ?
C12 C13 1.524(3) . ?
C13 C14 1.530(3) . ?
C14 C15 1.520(3) . ?
C15 C16 1.531(3) . ?
C16 C17 1.524(3) . ?
C17 C18 1.524(3) . ?
C18 C19 1.517(3) . ?
C19 C20 1.531(3) . ?
C20 C21 1.528(3) . ?
C21 C22 1.526(3) . ?
C22 C23 1.534(3) . ?
C23 C24 1.531(3) . ?
C24 P1 1.8335(18) 2 ?
C31 C32 1.529(3) . ?
C32 C33 1.521(2) . ?
C33 C34 1.519(3) . ?
C34 C35 1.521(3) . ?
C35 C36 1.536(3) . ?
C36 C37 1.516(3) . ?
C37 C37 1.529(4) 2 ?

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
C2 Os1 C1 118.44(6) . . ?
C2 Os1 C1 118.44(6) . 2 ?
C1 Os1 C1 123.11(12) . 2 ?
C2 Os1 P1 90.627(10) . . ?
C1 Os1 P1 89.00(6) . . ?
C1 Os1 P1 90.40(6) 2 . ?
C2 Os1 P1 90.627(10) . 2 ?
C1 Os1 P1 90.40(6) . 2 ?
C1 Os1 P1 89.00(6) 2 2 ?
P1 Os1 P1 178.75(2) . 2 ?
C31 P1 C24 103.28(9) . 2 ?
C31 P1 C11 103.54(9) . . ?
C24 P1 C11 102.40(9) 2 . ?
C31 P1 Os1 114.46(6) . . ?
C24 P1 Os1 115.48(6) 2 . ?
C11 P1 Os1 115.94(7) . . ?
O1 C1 Os1 178.92(19) . . ?
O2 C2 Os1 180.000(1) . . ?
C12 C11 P1 113.44(13) . . ?
C13 C12 C11 113.02(16) . . ?
C12 C13 C14 113.05(16) . . ?
C15 C14 C13 114.33(17) . . ?
C14 C15 C16 114.01(17) . . ?
C17 C16 C15 115.28(18) . . ?
C16 C17 C18 113.98(19) . . ?
C19 C18 C17 113.54(19) . . ?
C18 C19 C20 113.67(18) . . ?
C21 C20 C19 114.57(17) . . ?
C22 C21 C20 113.88(18) . . ?
C21 C22 C23 112.91(17) . . ?
C24 C23 C22 113.55(16) . . ?
C23 C24 P1 113.87(13) . 2 ?
C32 C31 P1 113.93(13) . . ?
C33 C32 C31 113.74(16) . . ?
C34 C33 C32 112.35(16) . . ?
C33 C34 C35 114.19(17) . . ?
C34 C35 C36 113.31(19) . . ?
C37 C36 C35 115.49(18) . . ?
C36 C37 C37 114.3(2) . 2 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Os1 P1 C31 160.70(7) . . . . ?
C1 Os1 P1 C31 -80.86(9) . . . . ?
C1 Os1 P1 C31 42.25(9) 2 . . . ?
P1 Os1 P1 C31 -19.30(7) 2 . . . ?
C2 Os1 P1 C24 40.94(7) . . . 2 ?
C1 Os1 P1 C24 159.38(9) . . . 2 ?
C1 Os1 P1 C24 -77.51(9) 2 . . 2 ?
P1 Os1 P1 C24 -139.06(7) 2 . . 2 ?
C2 Os1 P1 C11 -78.82(6) . . . . ?
C1 Os1 P1 C11 39.62(9) . . . . ?
C1 Os1 P1 C11 162.73(9) 2 . . . ?
P1 Os1 P1 C11 101.18(6) 2 . . . ?
C2 Os1 C1 O1 37(11) . . . . ?
C1 Os1 C1 O1 -143(11) 2 . . . ?
P1 Os1 C1 O1 -53(11) . . . . ?
P1 Os1 C1 O1 128(11) 2 . . . ?
C1 Os1 C2 O2 124(100) . . . . ?
C1 Os1 C2 O2 -56(100) 2 . . . ?
P1 Os1 C2 O2 -147(100) . . . . ?
P1 Os1 C2 O2 33(100) 2 . . . ?
C31 P1 C11 C12 177.63(14) . . . . ?
C24 P1 C11 C12 -75.22(16) 2 . . . ?
Os1 P1 C11 C12 51.42(16) . . . . ?
P1 C11 C12 C13 175.14(14) . . . . ?
C11 C12 C13 C14 168.27(17) . . . . ?
C12 C13 C14 C15 62.0(2) . . . . ?
C13 C14 C15 C16 173.03(18) . . . . ?
C14 C15 C16 C17 58.3(3) . . . . ?
C15 C16 C17 C18 62.2(3) . . . . ?
C16 C17 C18 C19 178.17(18) . . . . ?
C17 C18 C19 C20 -174.03(17) . . . . ?
C18 C19 C20 C21 -62.8(3) . . . . ?
C19 C20 C21 C22 -72.7(3) . . . . ?
C20 C21 C22 C23 158.90(18) . . . . ?
C21 C22 C23 C24 58.2(2) . . . . ?
C22 C23 C24 P1 -172.73(15) . . . 2 ?
C24 P1 C31 C32 -178.61(13) 2 . . . ?
C11 P1 C31 C32 -72.13(16) . . . . ?
Os1 P1 C31 C32 55.02(15) . . . . ?
P1 C31 C32 C33 -163.26(14) . . . . ?
C31 C32 C33 C34 174.01(16) . . . . ?
C32 C33 C34 C35 -178.85(18) . . . . ?
C33 C34 C35 C36 -177.71(18) . . . . ?
C34 C35 C36 C37 -58.8(3) . . . . ?
C35 C36 C37 C37 -61.72(19) . . . 2 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.585
_refine_diff_density_min         -1.221
_refine_diff_density_rms         0.085
####################################################################### 
# 
# 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_jgb
_database_code_depnum_ccdc_archive 'CCDC 1446701'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_THETM01_jgb                 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: Data was collected on a Bruker GADDS instrument with 
Cu-source and MWPC (multiwire proportional counter) detector. Under 
these experimental conditions the maximum angle that can be 
collected is 120 degrees two-theta.
;
_vrf_PLAT213_jgb                 
;
PROBLEM: Atom F22             has ADP max/min Ratio .....        5.4 prolat
RESPONSE: F22 belongs to the terminal CF3 group. We found
all the terminal CF3 groups were possibly disordered in 
more than two positions. No efforts were taken to model
this disorder.
;
_vrf_PLAT360_jgb                 
;
PROBLEM: Short  C(sp3)-C(sp3) Bond  C17    -   C18    ...       1.21 Ang.  
RESPONSE: Elongated thermal ellipsoids on C17 and C18 indicated
possible disorder. No efforts were taken to model this disorder
- hence resulting in slightly unusual bond lengths.
;
_vrf_PLAT019_jgb                 
;
PROBLEM: _diffrn_measured_fraction_theta_full/_max < 1.0      0.821 Why ? 
RESPONSE: Data was collected on a Bruker GADDS instrument with 
Cu-source and MWPC (multiwire proportional counter) detector
which has geometrical restrictions.
;
# end Validation Reply Form


_audit_creation_date             2014-05-23
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C45 H85 O3 Os P2, C32 H12 B F24'
_chemical_formula_sum            'C77 H97 B F24 O3 Os P2'
_chemical_formula_weight         1789.49
_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'
B B 0.0090 0.0039 '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'
F F 0.0727 0.0534 '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'
Os Os -4.9801 6.2216 '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                   15.1764(10)
_cell_length_b                   23.3573(14)
_cell_length_c                   22.9450(13)
_cell_angle_alpha                90
_cell_angle_beta                 95.723(3)
_cell_angle_gamma                90
_cell_volume                     8093.0(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9354
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      60.69
_cell_measurement_theta_min      3.34
_shelx_estimated_absorpt_T_max   0.569
_shelx_estimated_absorpt_T_min   0.418
_exptl_absorpt_coefficient_mu    4.233
_exptl_absorpt_correction_T_max  0.7522
_exptl_absorpt_correction_T_min  0.5923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0736 before and 0.0566 after correction.
The Ratio of minimum to maximum transmission is 0.7874.
The λ/2 correction factor is Not present
;
_exptl_crystal_colour            colorless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3640
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_av_unetI/netI     0.0607
_diffrn_reflns_Laue_measured_fraction_full 0.820
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            63051
_diffrn_reflns_point_group_measured_fraction_full 0.820
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         59.999
_diffrn_reflns_theta_min         2.706
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.820
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'BRUKER GADDS D8 Discover'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8426
_reflns_number_total             12017
_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    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    ?
_refine_diff_density_max         1.615
_refine_diff_density_min         -2.163
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         12017
_refine_ls_number_restraints     175
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0628
_refine_ls_restrained_S_all      1.133
_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)+(0.1122P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1705
_refine_ls_wR_factor_ref         0.1812
_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 Os(H) groups
2. Restrained distances
 Os1-H1
 1.4 with sigma of 0.02
3. Rigid bond restraints
 C32, C33, C34, C35, C36, C37, C38, C39, C40
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C17, C18, C19, C20, C21, C22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C53, F4, F5, F6, C68, F13, F14, F15, C69, F16, F17, F18, F22, F23, F24
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C32 \\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim
C40: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
C53 \\sim F4 \\sim F5 \\sim F6 \\sim C68 \\sim F13 \\sim F14 \\sim F15 \\sim
C69 \\sim F16 \\sim F17 \\sim F18 \\sim F22 \\sim F23 \\sim F24: within 1.7A
with sigma of 0.005 and sigma for terminal atoms of 0.01
5.a Riding coordinates:
 Os1(H1)
5.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B),
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B),
  C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,
 H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B),
 C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
  C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,
 H35B), C36(H36A,H36B), C37(H37A,H37B), C38(H38A,H38B), C39(H39A,H39B),
 C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B)
5.c Aromatic/amide H refined with riding coordinates:
 C47(H47), C49(H49), C51(H51), C55(H55), C57(H57), C59(H59), C63(H63),
 C65(H65), C67(H67), C71(H71), C73(H73), C75(H75)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.25773(2) 0.97305(2) 0.23844(2) 0.03477(14) Uani 1 1 d D . . . .
H1 H 0.2978 0.9508 0.3015 0.052 Uiso 1 1 d DR U . . .
P1 P 0.19084(12) 0.88100(8) 0.22153(8) 0.0339(4) Uani 1 1 d . . . . .
P2 P 0.32831(14) 1.05920(9) 0.27496(9) 0.0431(5) Uani 1 1 d . . . . .
O1 O 0.0890(5) 1.0138(3) 0.2914(3) 0.072(2) Uani 1 1 d . . . . .
O2 O 0.2011(4) 1.0204(2) 0.1140(3) 0.0519(15) Uani 1 1 d . . . . .
O3 O 0.4386(4) 0.9229(3) 0.2157(3) 0.0546(15) Uani 1 1 d . . . . .
C1 C 0.1117(5) 0.8761(3) 0.1565(3) 0.0374(18) Uani 1 1 d . . . . .
H1A H 0.1419 0.8883 0.1222 0.045 Uiso 1 1 calc R U . . .
H1B H 0.0951 0.8354 0.1505 0.045 Uiso 1 1 calc R U . . .
C2 C 0.0278(5) 0.9106(3) 0.1570(3) 0.0413(19) Uani 1 1 d . . . . .
H2A H 0.0429 0.9515 0.1635 0.050 Uiso 1 1 calc R U . . .
H2B H -0.0052 0.8975 0.1896 0.050 Uiso 1 1 calc R U . . .
C3 C -0.0297(5) 0.9038(3) 0.0995(3) 0.0423(19) Uani 1 1 d . . . . .
H3A H -0.0007 0.9237 0.0685 0.051 Uiso 1 1 calc R U . . .
H3B H -0.0330 0.8627 0.0893 0.051 Uiso 1 1 calc R U . . .
C4 C -0.1225(5) 0.9265(3) 0.0994(4) 0.048(2) Uani 1 1 d . . . . .
H4A H -0.1535 0.9041 0.1278 0.057 Uiso 1 1 calc R U . . .
H4B H -0.1542 0.9203 0.0601 0.057 Uiso 1 1 calc R U . . .
C5 C -0.1282(5) 0.9897(4) 0.1148(4) 0.046(2) Uani 1 1 d . . . . .
H5A H -0.1914 1.0004 0.1140 0.055 Uiso 1 1 calc R U . . .
H5B H -0.1007 0.9954 0.1553 0.055 Uiso 1 1 calc R U . . .
C6 C -0.0843(5) 1.0298(3) 0.0747(4) 0.0418(19) Uani 1 1 d . . . . .
H6A H -0.1054 1.0208 0.0335 0.050 Uiso 1 1 calc R U . . .
H6B H -0.0195 1.0236 0.0800 0.050 Uiso 1 1 calc R U . . .
C7 C -0.1039(5) 1.0923(3) 0.0868(3) 0.0406(19) Uani 1 1 d . . . . .
H7A H -0.0807 1.1011 0.1277 0.049 Uiso 1 1 calc R U . . .
H7B H -0.1689 1.0975 0.0837 0.049 Uiso 1 1 calc R U . . .
C8 C -0.0648(5) 1.1356(4) 0.0462(4) 0.049(2) Uani 1 1 d . . . . .
H8A H -0.0824 1.1243 0.0050 0.059 Uiso 1 1 calc R U . . .
H8B H -0.0907 1.1737 0.0524 0.059 Uiso 1 1 calc R U . . .
C9 C 0.0356(6) 1.1404(4) 0.0552(4) 0.055(2) Uani 1 1 d . . . . .
H9A H 0.0617 1.1025 0.0480 0.066 Uiso 1 1 calc R U . . .
H9B H 0.0555 1.1674 0.0260 0.066 Uiso 1 1 calc R U . . .
C10 C 0.0695(6) 1.1603(4) 0.1151(4) 0.057(2) Uani 1 1 d . . . . .
H10A H 0.0617 1.1290 0.1432 0.069 Uiso 1 1 calc R U . . .
H10B H 0.0328 1.1929 0.1258 0.069 Uiso 1 1 calc R U . . .
C11 C 0.1657(6) 1.1786(5) 0.1221(5) 0.073(3) Uani 1 1 d . . . . .
H11A H 0.2027 1.1468 0.1098 0.088 Uiso 1 1 calc R U . . .
H11B H 0.1734 1.2115 0.0960 0.088 Uiso 1 1 calc R U . . .
C12 C 0.1972(8) 1.1951(4) 0.1836(6) 0.091(4) Uani 1 1 d . . . . .
H12A H 0.1529 1.2213 0.1980 0.109 Uiso 1 1 calc R U . . .
H12B H 0.2530 1.2169 0.1829 0.109 Uiso 1 1 calc R U . . .
C13 C 0.2136(7) 1.1467(4) 0.2276(6) 0.083(3) Uani 1 1 d . . . . .
H13A H 0.2016 1.1610 0.2667 0.099 Uiso 1 1 calc R U . . .
H13B H 0.1709 1.1155 0.2167 0.099 Uiso 1 1 calc R U . . .
C14 C 0.3041(6) 1.1226(4) 0.2321(5) 0.064(3) Uani 1 1 d . . . . .
H14A H 0.3452 1.1529 0.2482 0.077 Uiso 1 1 calc R U . . .
H14B H 0.3188 1.1145 0.1919 0.077 Uiso 1 1 calc R U . . .
C15 C 0.2664(6) 0.8212(3) 0.2128(4) 0.052(2) Uani 1 1 d . . . . .
H15A H 0.3164 0.8241 0.2439 0.063 Uiso 1 1 calc R U . . .
H15B H 0.2346 0.7851 0.2194 0.063 Uiso 1 1 calc R U . . .
C16 C 0.3049(7) 0.8166(4) 0.1538(5) 0.070(3) Uani 1 1 d . . . . .
H16A H 0.2556 0.8161 0.1221 0.084 Uiso 1 1 calc R U . . .
H16B H 0.3412 0.8510 0.1482 0.084 Uiso 1 1 calc R U . . .
C17 C 0.3608(8) 0.7643(5) 0.1485(8) 0.121(6) Uani 1 1 d . U . . .
H17A H 0.3392 0.7355 0.1754 0.145 Uiso 1 1 calc R U . . .
H17B H 0.3457 0.7495 0.1083 0.145 Uiso 1 1 calc R U . . .
C18 C 0.4408(8) 0.7636(5) 0.1570(10) 0.164(7) Uani 1 1 d . U . . .
H18A H 0.4576 0.7241 0.1471 0.196 Uiso 1 1 calc R U . . .
H18B H 0.4536 0.7669 0.2000 0.196 Uiso 1 1 calc R U . . .
C19 C 0.5087(7) 0.8009(5) 0.1326(7) 0.106(4) Uani 1 1 d . U . . .
H19A H 0.5218 0.7840 0.0948 0.128 Uiso 1 1 calc R U . . .
H19B H 0.4810 0.8387 0.1237 0.128 Uiso 1 1 calc R U . . .
C20 C 0.5934(8) 0.8109(5) 0.1676(6) 0.102(4) Uani 1 1 d . U . . .
H20A H 0.6159 0.7734 0.1829 0.123 Uiso 1 1 calc R U . . .
H20B H 0.5817 0.8345 0.2017 0.123 Uiso 1 1 calc R U . . .
C21 C 0.6653(7) 0.8389(5) 0.1385(5) 0.083(3) Uani 1 1 d . U . . .
H21A H 0.6771 0.8164 0.1036 0.100 Uiso 1 1 calc R U . . .
H21B H 0.7202 0.8392 0.1658 0.100 Uiso 1 1 calc R U . . .
C22 C 0.6407(6) 0.9029(4) 0.1192(4) 0.062(2) Uani 1 1 d . U . . .
H22A H 0.6800 0.9146 0.0893 0.074 Uiso 1 1 calc R U . . .
H22B H 0.5793 0.9031 0.1001 0.074 Uiso 1 1 calc R U . . .
C23 C 0.6474(6) 0.9469(5) 0.1665(4) 0.063(3) Uani 1 1 d . . . . .
H23A H 0.7095 0.9488 0.1844 0.075 Uiso 1 1 calc R U . . .
H23B H 0.6102 0.9348 0.1974 0.075 Uiso 1 1 calc R U . . .
C24 C 0.6184(6) 1.0066(4) 0.1451(4) 0.061(3) Uani 1 1 d . . . . .
H24A H 0.5538 1.0061 0.1335 0.073 Uiso 1 1 calc R U . . .
H24B H 0.6482 1.0158 0.1098 0.073 Uiso 1 1 calc R U . . .
C25 C 0.6391(7) 1.0540(5) 0.1905(5) 0.073(3) Uani 1 1 d . . . . .
H25A H 0.7037 1.0537 0.2024 0.088 Uiso 1 1 calc R U . . .
H25B H 0.6246 1.0913 0.1714 0.088 Uiso 1 1 calc R U . . .
C26 C 0.5920(6) 1.0505(5) 0.2448(4) 0.065(3) Uani 1 1 d . . . . .
H26A H 0.6187 1.0783 0.2739 0.079 Uiso 1 1 calc R U . . .
H26B H 0.6002 1.0117 0.2619 0.079 Uiso 1 1 calc R U . . .
C27 C 0.4933(6) 1.0629(4) 0.2327(4) 0.053(2) Uani 1 1 d . . . . .
H27A H 0.4850 1.1023 0.2172 0.064 Uiso 1 1 calc R U . . .
H27B H 0.4669 1.0361 0.2024 0.064 Uiso 1 1 calc R U . . .
C28 C 0.4457(6) 1.0569(4) 0.2869(4) 0.054(2) Uani 1 1 d . . . . .
H28A H 0.4658 1.0879 0.3144 0.065 Uiso 1 1 calc R U . . .
H28B H 0.4633 1.0201 0.3060 0.065 Uiso 1 1 calc R U . . .
C29 C 0.1275(5) 0.8569(3) 0.2799(3) 0.0394(18) Uani 1 1 d . . . . .
H29A H 0.0791 0.8846 0.2834 0.047 Uiso 1 1 calc R U . . .
H29B H 0.0997 0.8198 0.2679 0.047 Uiso 1 1 calc R U . . .
C30 C 0.1778(6) 0.8492(4) 0.3403(3) 0.053(2) Uani 1 1 d . . . . .
H30A H 0.2289 0.8235 0.3371 0.064 Uiso 1 1 calc R U . . .
H30B H 0.2011 0.8868 0.3546 0.064 Uiso 1 1 calc R U . . .
C31 C 0.1207(6) 0.8247(4) 0.3841(4) 0.060(2) Uani 1 1 d . . . . .
H31A H 0.0943 0.7884 0.3684 0.072 Uiso 1 1 calc R U . . .
H31B H 0.0716 0.8517 0.3888 0.072 Uiso 1 1 calc R U . . .
C32 C 0.1704(10) 0.8130(6) 0.4447(4) 0.112(5) Uani 1 1 d . U . . .
H32A H 0.1252 0.8055 0.4720 0.134 Uiso 1 1 calc R U . . .
H32B H 0.2040 0.7769 0.4416 0.134 Uiso 1 1 calc R U . . .
C33 C 0.2310(9) 0.8547(7) 0.4721(5) 0.113(5) Uani 1 1 d . U . . .
H33A H 0.1995 0.8916 0.4743 0.136 Uiso 1 1 calc R U . . .
H33B H 0.2798 0.8605 0.4470 0.136 Uiso 1 1 calc R U . . .
C34 C 0.2716(9) 0.8376(7) 0.5350(6) 0.129(5) Uani 1 1 d . U . . .
H34A H 0.3037 0.8008 0.5345 0.155 Uiso 1 1 calc R U . . .
H34B H 0.2250 0.8345 0.5622 0.155 Uiso 1 1 calc R U . . .
C35 C 0.3429(10) 0.8929(8) 0.5548(6) 0.128(5) Uani 1 1 d . U . . .
H35A H 0.3924 0.8791 0.5826 0.154 Uiso 1 1 calc R U . . .
H35B H 0.3678 0.9084 0.5198 0.154 Uiso 1 1 calc R U . . .
C36 C 0.2960(9) 0.9353(8) 0.5809(6) 0.124(4) Uani 1 1 d . U . . .
H36A H 0.2834 0.9235 0.6207 0.149 Uiso 1 1 calc R U . . .
H36B H 0.2392 0.9433 0.5572 0.149 Uiso 1 1 calc R U . . .
C37 C 0.3610(12) 0.9929(9) 0.5842(7) 0.149(6) Uani 1 1 d . U . . .
H37A H 0.3379 1.0213 0.6109 0.179 Uiso 1 1 calc R U . . .
H37B H 0.4212 0.9818 0.6011 0.179 Uiso 1 1 calc R U . . .
C38 C 0.3673(14) 1.0200(8) 0.5268(10) 0.173(7) Uani 1 1 d . U . . .
H38A H 0.3899 0.9918 0.4997 0.208 Uiso 1 1 calc R U . . .
H38B H 0.4097 1.0523 0.5313 0.208 Uiso 1 1 calc R U . . .
C39 C 0.2763(14) 1.0422(8) 0.5006(8) 0.154(6) Uani 1 1 d . U . . .
H39A H 0.2353 1.0099 0.4909 0.185 Uiso 1 1 calc R U . . .
H39B H 0.2501 1.0677 0.5287 0.185 Uiso 1 1 calc R U . . .
C40 C 0.2911(14) 1.0712(8) 0.4518(6) 0.166(7) Uani 1 1 d . U . . .
H40A H 0.3372 1.0999 0.4643 0.200 Uiso 1 1 calc R U . . .
H40B H 0.2362 1.0931 0.4406 0.200 Uiso 1 1 calc R U . . .
C41 C 0.3176(13) 1.0463(5) 0.3960(5) 0.126(7) Uani 1 1 d . . . . .
H41A H 0.3826 1.0410 0.3997 0.152 Uiso 1 1 calc R U . . .
H41B H 0.2898 1.0082 0.3898 0.152 Uiso 1 1 calc R U . . .
C42 C 0.2923(7) 1.0818(5) 0.3458(5) 0.084(4) Uani 1 1 d . . . . .
H42A H 0.3156 1.1208 0.3544 0.101 Uiso 1 1 calc R U . . .
H42B H 0.2268 1.0845 0.3412 0.101 Uiso 1 1 calc R U . . .
C43 C 0.1493(6) 0.9996(4) 0.2717(4) 0.046(2) Uani 1 1 d . . . . .
C44 C 0.2223(5) 1.0027(3) 0.1601(4) 0.0403(19) Uani 1 1 d . . . . .
C45 C 0.3722(6) 0.9422(3) 0.2217(3) 0.0427(19) Uani 1 1 d . . . . .
B1 B 0.2976(5) 0.7424(3) 0.9047(3) 0.0279(18) Uani 1 1 d . . . . .
C46 C 0.2859(4) 0.7653(3) 0.8366(3) 0.0275(15) Uani 1 1 d . . . . .
C47 C 0.2134(5) 0.7994(3) 0.8155(3) 0.0297(16) Uani 1 1 d . . . . .
H47 H 0.1691 0.8078 0.8408 0.036 Uiso 1 1 calc R U . . .
C48 C 0.2045(5) 0.8211(3) 0.7588(3) 0.0319(16) Uani 1 1 d . . . . .
C49 C 0.2681(5) 0.8101(3) 0.7210(3) 0.0397(19) Uani 1 1 d . . . . .
H49 H 0.2620 0.8245 0.6821 0.048 Uiso 1 1 calc R U . . .
C50 C 0.3405(5) 0.7777(3) 0.7415(3) 0.0380(18) Uani 1 1 d . . . . .
C51 C 0.3494(5) 0.7553(3) 0.7979(3) 0.0325(17) Uani 1 1 d . . . . .
H51 H 0.3998 0.7327 0.8103 0.039 Uiso 1 1 calc R U . . .
C52 C 0.1261(5) 0.8575(3) 0.7390(3) 0.0406(19) Uani 1 1 d . . . . .
F1 F 0.0507(3) 0.8377(2) 0.7580(2) 0.0582(13) Uani 1 1 d . . . . .
F2 F 0.1111(3) 0.8609(2) 0.68045(18) 0.0542(12) Uani 1 1 d . . . . .
F3 F 0.1344(4) 0.91121(19) 0.7589(2) 0.0591(13) Uani 1 1 d . . . . .
C53 C 0.4090(8) 0.7639(6) 0.7019(5) 0.082(2) Uani 1 1 d . U . . .
F4 F 0.3896(5) 0.7769(4) 0.6477(3) 0.147(3) Uani 1 1 d . U . . .
F5 F 0.4869(5) 0.7876(4) 0.7190(4) 0.127(2) Uani 1 1 d . U . . .
F6 F 0.4320(4) 0.7098(3) 0.7002(3) 0.0948(18) Uani 1 1 d . U . . .
C54 C 0.3526(4) 0.7948(3) 0.9406(3) 0.0276(15) Uani 1 1 d . . . . .
C55 C 0.4428(5) 0.8023(3) 0.9321(3) 0.0339(17) Uani 1 1 d . . . . .
H55 H 0.4717 0.7735 0.9118 0.041 Uiso 1 1 calc R U . . .
C56 C 0.4903(5) 0.8496(3) 0.9522(3) 0.0378(18) Uani 1 1 d . . . . .
C57 C 0.4518(5) 0.8920(3) 0.9837(3) 0.0328(17) Uani 1 1 d . . . . .
H57 H 0.4847 0.9246 0.9978 0.039 Uiso 1 1 calc R U . . .
C58 C 0.3642(5) 0.8854(3) 0.9938(3) 0.0301(16) Uani 1 1 d . . . . .
C59 C 0.3158(5) 0.8384(3) 0.9730(3) 0.0275(15) Uani 1 1 d . . . . .
H59 H 0.2556 0.8353 0.9808 0.033 Uiso 1 1 calc R U . . .
C60 C 0.5861(6) 0.8556(4) 0.9409(5) 0.059(3) Uani 1 1 d . . . . .
F7 F 0.6036(3) 0.8286(2) 0.8915(2) 0.0682(15) Uani 1 1 d . . . . .
F8 F 0.6089(4) 0.9101(2) 0.9320(4) 0.111(3) Uani 1 1 d . . . . .
F9 F 0.6421(3) 0.8351(3) 0.9815(3) 0.096(2) Uani 1 1 d . . . . .
C61 C 0.3234(5) 0.9312(3) 1.0275(3) 0.0337(17) Uani 1 1 d . . . . .
F10 F 0.3088(4) 0.97953(18) 0.9975(2) 0.0580(13) Uani 1 1 d . . . . .
F11 F 0.3731(3) 0.9457(2) 1.07724(19) 0.0531(12) Uani 1 1 d . . . . .
F12 F 0.2441(3) 0.9158(2) 1.0442(2) 0.0542(12) Uani 1 1 d . . . . .
C62 C 0.3515(5) 0.6819(3) 0.9124(3) 0.0303(16) Uani 1 1 d . . . . .
C63 C 0.4000(5) 0.6667(3) 0.9652(3) 0.044(2) Uani 1 1 d . . . . .
H63 H 0.4070 0.6941 0.9959 0.053 Uiso 1 1 calc R U . . .
C64 C 0.4380(7) 0.6135(4) 0.9743(4) 0.059(3) Uani 1 1 d . . . . .
C65 C 0.4302(6) 0.5725(3) 0.9313(4) 0.056(2) Uani 1 1 d . . . . .
H65 H 0.4568 0.5360 0.9379 0.067 Uiso 1 1 calc R U . . .
C66 C 0.3829(5) 0.5853(3) 0.8781(3) 0.0362(17) Uani 1 1 d . . . . .
C67 C 0.3448(4) 0.6391(3) 0.8694(3) 0.0294(16) Uani 1 1 d . . . . .
H67 H 0.3129 0.6473 0.8326 0.035 Uiso 1 1 calc R U . . .
C68 C 0.4875(12) 0.5994(6) 1.0330(6) 0.112(3) Uani 1 1 d . U . . .
F13 F 0.5321(7) 0.6451(3) 1.0566(4) 0.156(3) Uani 1 1 d . U . . .
F14 F 0.5573(5) 0.5652(3) 1.0282(3) 0.108(2) Uani 1 1 d . U . . .
F15 F 0.4411(6) 0.5725(4) 1.0654(3) 0.140(3) Uani 1 1 d . U . . .
C69 C 0.3732(6) 0.5427(3) 0.8297(4) 0.0475(16) Uani 1 1 d . U . . .
F16 F 0.4031(4) 0.4915(2) 0.8450(2) 0.0671(14) Uani 1 1 d . U . . .
F17 F 0.2891(3) 0.5361(2) 0.8070(2) 0.0611(13) Uani 1 1 d . U . . .
F18 F 0.4159(4) 0.5591(2) 0.7844(2) 0.0647(13) Uani 1 1 d . U . . .
C70 C 0.2024(4) 0.7257(3) 0.9278(3) 0.0266(15) Uani 1 1 d . . . . .
C71 C 0.1836(5) 0.7288(3) 0.9864(3) 0.0295(16) Uani 1 1 d . . . . .
H71 H 0.2267 0.7447 1.0148 0.035 Uiso 1 1 calc R U . . .
C72 C 0.1035(5) 0.7094(3) 1.0043(3) 0.0314(16) Uani 1 1 d . . . . .
C73 C 0.0383(5) 0.6863(3) 0.9651(3) 0.0380(18) Uani 1 1 d . . . . .
H73 H -0.0169 0.6745 0.9773 0.046 Uiso 1 1 calc R U . . .
C74 C 0.0565(5) 0.6807(3) 0.9070(3) 0.0338(17) Uani 1 1 d . . . . .
C75 C 0.1358(5) 0.6998(3) 0.8889(3) 0.0313(16) Uani 1 1 d . . . . .
H75 H 0.1458 0.6955 0.8490 0.038 Uiso 1 1 calc R U . . .
C76 C 0.0835(6) 0.7162(3) 1.0662(3) 0.043(2) Uani 1 1 d . . . . .
F19 F 0.1545(3) 0.7259(2) 1.10346(18) 0.0641(15) Uani 1 1 d . . . . .
F20 F 0.0451(3) 0.6696(2) 1.08690(18) 0.0540(12) Uani 1 1 d . . . . .
F21 F 0.0256(4) 0.7586(2) 1.0729(2) 0.0760(17) Uani 1 1 d . . . . .
C77 C -0.0106(6) 0.6522(4) 0.8649(4) 0.051(2) Uani 1 1 d . . . . .
F22 F -0.0772(7) 0.6362(8) 0.8828(3) 0.282(10) Uani 1 1 d . . . . .
F23 F -0.0309(7) 0.6805(3) 0.8188(4) 0.169(5) Uani 1 1 d . . . . .
F24 F 0.0153(7) 0.6070(4) 0.8424(5) 0.197(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
Os1 H1 1.6002 . ?
Os1 P1 2.3928(19) . ?
Os1 P2 2.391(2) . ?
Os1 C43 1.980(10) . ?
Os1 C44 1.952(10) . ?
Os1 C45 1.954(9) . ?
P1 C1 1.824(7) . ?
P1 C15 1.832(8) . ?
P1 C29 1.814(7) . ?
P2 C14 1.795(9) . ?
P2 C28 1.776(9) . ?
P2 C42 1.843(10) . ?
O1 C43 1.112(10) . ?
O2 C44 1.152(10) . ?
O3 C45 1.125(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.507(10) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.516(10) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.504(11) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.522(11) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.512(11) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.520(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.535(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.521(11) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.494(12) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.514(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.494(14) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.519(14) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.479(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.530(13) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.498(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.211(16) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.499(15) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.465(18) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.486(14) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.593(14) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.493(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.529(14) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.532(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.499(14) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.524(12) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.505(12) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.526(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.504(11) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.538(14) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.441(16) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.565(14) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.72(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.390(19) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.67(2) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.47(3) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.54(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.347(19) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.496(18) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.440(17) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
B1 C46 1.646(10) . ?
B1 C54 1.653(10) . ?
B1 C62 1.632(10) . ?
B1 C70 1.636(10) . ?
C46 C47 1.405(9) . ?
C46 C51 1.392(10) . ?
C47 H47 0.9500 . ?
C47 C48 1.391(9) . ?
C48 C49 1.385(11) . ?
C48 C52 1.495(10) . ?
C49 H49 0.9500 . ?
C49 C50 1.378(11) . ?
C50 C51 1.391(10) . ?
C50 C53 1.483(12) . ?
C51 H51 0.9500 . ?
C52 F1 1.346(9) . ?
C52 F2 1.343(8) . ?
C52 F3 1.336(9) . ?
C53 F4 1.285(13) . ?
C53 F5 1.329(14) . ?
C53 F6 1.312(13) . ?
C54 C55 1.412(10) . ?
C54 C59 1.409(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.375(10) . ?
C56 C57 1.389(10) . ?
C56 C60 1.507(11) . ?
C57 H57 0.9500 . ?
C57 C58 1.380(10) . ?
C58 C59 1.381(10) . ?
C58 C61 1.491(10) . ?
C59 H59 0.9500 . ?
C60 F7 1.348(10) . ?
C60 F8 1.339(11) . ?
C60 F9 1.290(11) . ?
C61 F10 1.330(8) . ?
C61 F11 1.347(8) . ?
C61 F12 1.347(8) . ?
C62 C63 1.400(10) . ?
C62 C67 1.400(9) . ?
C63 H63 0.9500 . ?
C63 C64 1.378(11) . ?
C64 C65 1.370(12) . ?
C64 C68 1.511(14) . ?
C65 H65 0.9500 . ?
C65 C66 1.386(11) . ?
C66 C67 1.389(10) . ?
C66 C69 1.487(11) . ?
C67 H67 0.9500 . ?
C68 F13 1.348(15) . ?
C68 F14 1.340(17) . ?
C68 F15 1.244(18) . ?
C69 F16 1.314(9) . ?
C69 F17 1.338(10) . ?
C69 F18 1.334(10) . ?
C70 C71 1.404(9) . ?
C70 C75 1.414(9) . ?
C71 H71 0.9500 . ?
C71 C72 1.396(10) . ?
C72 C73 1.379(10) . ?
C72 C76 1.492(10) . ?
C73 H73 0.9500 . ?
C73 C74 1.394(10) . ?
C74 C75 1.386(10) . ?
C74 C77 1.489(10) . ?
C75 H75 0.9500 . ?
C76 F19 1.326(9) . ?
C76 F20 1.343(9) . ?
C76 F21 1.344(9) . ?
C77 F22 1.189(10) . ?
C77 F23 1.260(11) . ?
C77 F24 1.256(12) . ?

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 H1 88.4 . . ?
P2 Os1 H1 80.8 . . ?
P2 Os1 P1 168.76(7) . . ?
C43 Os1 H1 90.5 . . ?
C43 Os1 P1 89.3(2) . . ?
C43 Os1 P2 87.8(2) . . ?
C44 Os1 H1 173.6 . . ?
C44 Os1 P1 95.5(2) . . ?
C44 Os1 P2 95.5(2) . . ?
C44 Os1 C43 94.6(3) . . ?
C44 Os1 C45 96.8(3) . . ?
C45 Os1 H1 78.0 . . ?
C45 Os1 P1 90.4(2) . . ?
C45 Os1 P2 90.2(2) . . ?
C45 Os1 C43 168.5(3) . . ?
C1 P1 Os1 115.0(2) . . ?
C1 P1 C15 103.4(4) . . ?
C15 P1 Os1 116.3(3) . . ?
C29 P1 Os1 114.0(3) . . ?
C29 P1 C1 103.3(3) . . ?
C29 P1 C15 103.2(4) . . ?
C14 P2 Os1 116.3(3) . . ?
C14 P2 C42 100.6(6) . . ?
C28 P2 Os1 115.8(3) . . ?
C28 P2 C14 104.9(4) . . ?
C28 P2 C42 104.8(5) . . ?
C42 P2 Os1 112.8(3) . . ?
P1 C1 H1A 108.1 . . ?
P1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C2 C1 P1 116.6(5) . . ?
C2 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 C3 110.6(6) . . ?
H2A C2 H2B 108.1 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C2 C3 H3A 108.5 . . ?
C2 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C4 C3 C2 115.0(7) . . ?
C4 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
C3 C4 H4A 108.6 . . ?
C3 C4 H4B 108.6 . . ?
C3 C4 C5 114.6(7) . . ?
H4A C4 H4B 107.6 . . ?
C5 C4 H4A 108.6 . . ?
C5 C4 H4B 108.6 . . ?
C4 C5 H5A 108.5 . . ?
C4 C5 H5B 108.5 . . ?
H5A C5 H5B 107.5 . . ?
C6 C5 C4 114.9(7) . . ?
C6 C5 H5A 108.5 . . ?
C6 C5 H5B 108.5 . . ?
C5 C6 H6A 109.2 . . ?
C5 C6 H6B 109.2 . . ?
C5 C6 C7 112.2(6) . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 H6A 109.2 . . ?
C7 C6 H6B 109.2 . . ?
C6 C7 H7A 108.5 . . ?
C6 C7 H7B 108.5 . . ?
C6 C7 C8 115.3(7) . . ?
H7A C7 H7B 107.5 . . ?
C8 C7 H7A 108.5 . . ?
C8 C7 H7B 108.5 . . ?
C7 C8 H8A 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C9 C8 C7 114.1(7) . . ?
C9 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C10 C9 C8 113.4(7) . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
C9 C10 H10A 108.5 . . ?
C9 C10 H10B 108.5 . . ?
C9 C10 C11 115.2(8) . . ?
H10A C10 H10B 107.5 . . ?
C11 C10 H10A 108.5 . . ?
C11 C10 H10B 108.5 . . ?
C10 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C12 C11 C10 112.8(10) . . ?
C12 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C11 C12 H12A 108.1 . . ?
C11 C12 H12B 108.1 . . ?
C11 C12 C13 116.9(9) . . ?
H12A C12 H12B 107.3 . . ?
C13 C12 H12A 108.1 . . ?
C13 C12 H12B 108.1 . . ?
C12 C13 H13A 108.6 . . ?
C12 C13 H13B 108.6 . . ?
H13A C13 H13B 107.5 . . ?
C14 C13 C12 114.8(11) . . ?
C14 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
P2 C14 H14A 107.5 . . ?
P2 C14 H14B 107.5 . . ?
C13 C14 P2 119.3(8) . . ?
C13 C14 H14A 107.5 . . ?
C13 C14 H14B 107.5 . . ?
H14A C14 H14B 107.0 . . ?
P1 C15 H15A 108.1 . . ?
P1 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
C16 C15 P1 116.6(6) . . ?
C16 C15 H15A 108.1 . . ?
C16 C15 H15B 108.1 . . ?
C15 C16 H16A 108.9 . . ?
C15 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 C15 113.4(10) . . ?
C17 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C16 C17 H17A 106.2 . . ?
C16 C17 H17B 106.2 . . ?
H17A C17 H17B 106.4 . . ?
C18 C17 C16 124.4(12) . . ?
C18 C17 H17A 106.2 . . ?
C18 C17 H17B 106.2 . . ?
C17 C18 H18A 104.7 . . ?
C17 C18 H18B 104.7 . . ?
C17 C18 C19 130.4(14) . . ?
H18A C18 H18B 105.7 . . ?
C19 C18 H18A 104.7 . . ?
C19 C18 H18B 104.7 . . ?
C18 C19 H19A 107.5 . . ?
C18 C19 H19B 107.5 . . ?
H19A C19 H19B 107.0 . . ?
C20 C19 C18 119.1(14) . . ?
C20 C19 H19A 107.5 . . ?
C20 C19 H19B 107.5 . . ?
C19 C20 H20A 107.8 . . ?
C19 C20 H20B 107.8 . . ?
C19 C20 C21 117.9(11) . . ?
H20A C20 H20B 107.2 . . ?
C21 C20 H20A 107.8 . . ?
C21 C20 H20B 107.8 . . ?
C20 C21 H21A 109.2 . . ?
C20 C21 H21B 109.2 . . ?
C20 C21 C22 112.1(9) . . ?
H21A C21 H21B 107.9 . . ?
C22 C21 H21A 109.2 . . ?
C22 C21 H21B 109.2 . . ?
C21 C22 H22A 108.2 . . ?
C21 C22 H22B 108.2 . . ?
H22A C22 H22B 107.3 . . ?
C23 C22 C21 116.5(8) . . ?
C23 C22 H22A 108.2 . . ?
C23 C22 H22B 108.2 . . ?
C22 C23 H23A 108.9 . . ?
C22 C23 H23B 108.9 . . ?
C22 C23 C24 113.4(7) . . ?
H23A C23 H23B 107.7 . . ?
C24 C23 H23A 108.9 . . ?
C24 C23 H23B 108.9 . . ?
C23 C24 H24A 108.8 . . ?
C23 C24 H24B 108.8 . . ?
C23 C24 C25 114.0(8) . . ?
H24A C24 H24B 107.6 . . ?
C25 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
C24 C25 H25A 108.2 . . ?
C24 C25 H25B 108.2 . . ?
H25A C25 H25B 107.3 . . ?
C26 C25 C24 116.4(9) . . ?
C26 C25 H25A 108.2 . . ?
C26 C25 H25B 108.2 . . ?
C25 C26 H26A 109.1 . . ?
C25 C26 H26B 109.1 . . ?
C25 C26 C27 112.4(8) . . ?
H26A C26 H26B 107.9 . . ?
C27 C26 H26A 109.1 . . ?
C27 C26 H26B 109.1 . . ?
C26 C27 H27A 109.2 . . ?
C26 C27 H27B 109.2 . . ?
H27A C27 H27B 107.9 . . ?
C28 C27 C26 112.1(8) . . ?
C28 C27 H27A 109.2 . . ?
C28 C27 H27B 109.2 . . ?
P2 C28 H28A 108.5 . . ?
P2 C28 H28B 108.5 . . ?
C27 C28 P2 115.3(6) . . ?
C27 C28 H28A 108.5 . . ?
C27 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
P1 C29 H29A 108.1 . . ?
P1 C29 H29B 108.1 . . ?
H29A C29 H29B 107.3 . . ?
C30 C29 P1 117.0(5) . . ?
C30 C29 H29A 108.1 . . ?
C30 C29 H29B 108.1 . . ?
C29 C30 H30A 109.1 . . ?
C29 C30 H30B 109.1 . . ?
H30A C30 H30B 107.8 . . ?
C31 C30 C29 112.5(7) . . ?
C31 C30 H30A 109.1 . . ?
C31 C30 H30B 109.1 . . ?
C30 C31 H31A 108.7 . . ?
C30 C31 H31B 108.7 . . ?
C30 C31 C32 114.1(8) . . ?
H31A C31 H31B 107.6 . . ?
C32 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
C31 C32 H32A 107.2 . . ?
C31 C32 H32B 107.2 . . ?
H32A C32 H32B 106.8 . . ?
C33 C32 C31 120.5(10) . . ?
C33 C32 H32A 107.2 . . ?
C33 C32 H32B 107.2 . . ?
C32 C33 H33A 108.8 . . ?
C32 C33 H33B 108.8 . . ?
C32 C33 C34 113.9(12) . . ?
H33A C33 H33B 107.7 . . ?
C34 C33 H33A 108.8 . . ?
C34 C33 H33B 108.8 . . ?
C33 C34 H34A 111.1 . . ?
C33 C34 H34B 111.1 . . ?
C33 C34 C35 103.4(11) . . ?
H34A C34 H34B 109.0 . . ?
C35 C34 H34A 111.1 . . ?
C35 C34 H34B 111.1 . . ?
C34 C35 H35A 110.0 . . ?
C34 C35 H35B 110.0 . . ?
H35A C35 H35B 108.4 . . ?
C36 C35 C34 108.3(14) . . ?
C36 C35 H35A 110.0 . . ?
C36 C35 H35B 110.0 . . ?
C35 C36 H36A 110.6 . . ?
C35 C36 H36B 110.6 . . ?
C35 C36 C37 105.6(13) . . ?
H36A C36 H36B 108.8 . . ?
C37 C36 H36A 110.6 . . ?
C37 C36 H36B 110.6 . . ?
C36 C37 H37A 108.9 . . ?
C36 C37 H37B 108.9 . . ?
H37A C37 H37B 107.7 . . ?
C38 C37 C36 113.4(13) . . ?
C38 C37 H37A 108.9 . . ?
C38 C37 H37B 108.9 . . ?
C37 C38 H38A 109.4 . . ?
C37 C38 H38B 109.4 . . ?
C37 C38 C39 111(2) . . ?
H38A C38 H38B 108.0 . . ?
C39 C38 H38A 109.4 . . ?
C39 C38 H38B 109.4 . . ?
C38 C39 H39A 110.5 . . ?
C38 C39 H39B 110.5 . . ?
H39A C39 H39B 108.7 . . ?
C40 C39 C38 106(2) . . ?
C40 C39 H39A 110.5 . . ?
C40 C39 H39B 110.5 . . ?
C39 C40 H40A 105.7 . . ?
C39 C40 H40B 105.7 . . ?
C39 C40 C41 126.6(18) . . ?
H40A C40 H40B 106.1 . . ?
C41 C40 H40A 105.7 . . ?
C41 C40 H40B 105.7 . . ?
C40 C41 H41A 109.0 . . ?
C40 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
C42 C41 C40 112.8(14) . . ?
C42 C41 H41A 109.0 . . ?
C42 C41 H41B 109.0 . . ?
P2 C42 H42A 107.9 . . ?
P2 C42 H42B 107.9 . . ?
C41 C42 P2 117.5(9) . . ?
C41 C42 H42A 107.9 . . ?
C41 C42 H42B 107.9 . . ?
H42A C42 H42B 107.2 . . ?
O1 C43 Os1 178.5(8) . . ?
O2 C44 Os1 179.7(8) . . ?
O3 C45 Os1 175.4(7) . . ?
C46 B1 C54 103.5(5) . . ?
C62 B1 C46 112.8(6) . . ?
C62 B1 C54 111.4(6) . . ?
C62 B1 C70 102.0(5) . . ?
C70 B1 C46 111.7(5) . . ?
C70 B1 C54 115.7(6) . . ?
C47 C46 B1 121.1(6) . . ?
C51 C46 B1 122.4(6) . . ?
C51 C46 C47 116.3(6) . . ?
C46 C47 H47 119.1 . . ?
C48 C47 C46 121.9(7) . . ?
C48 C47 H47 119.1 . . ?
C47 C48 C52 119.5(7) . . ?
C49 C48 C47 120.6(7) . . ?
C49 C48 C52 119.9(6) . . ?
C48 C49 H49 121.0 . . ?
C50 C49 C48 118.1(7) . . ?
C50 C49 H49 121.0 . . ?
C49 C50 C51 121.6(7) . . ?
C49 C50 C53 119.7(7) . . ?
C51 C50 C53 118.7(8) . . ?
C46 C51 H51 119.3 . . ?
C50 C51 C46 121.5(7) . . ?
C50 C51 H51 119.3 . . ?
F1 C52 C48 112.5(6) . . ?
F2 C52 C48 112.8(6) . . ?
F2 C52 F1 106.2(6) . . ?
F3 C52 C48 112.6(6) . . ?
F3 C52 F1 105.5(6) . . ?
F3 C52 F2 106.7(6) . . ?
F4 C53 C50 115.7(10) . . ?
F4 C53 F5 107.4(10) . . ?
F4 C53 F6 103.6(11) . . ?
F5 C53 C50 112.7(10) . . ?
F6 C53 C50 115.6(9) . . ?
F6 C53 F5 100.3(9) . . ?
C55 C54 B1 118.1(6) . . ?
C59 C54 B1 126.2(6) . . ?
C59 C54 C55 115.1(6) . . ?
C54 C55 H55 118.7 . . ?
C56 C55 C54 122.5(7) . . ?
C56 C55 H55 118.7 . . ?
C55 C56 C57 120.8(7) . . ?
C55 C56 C60 120.0(7) . . ?
C57 C56 C60 119.1(7) . . ?
C56 C57 H57 121.0 . . ?
C58 C57 C56 118.1(7) . . ?
C58 C57 H57 121.0 . . ?
C57 C58 C59 121.3(6) . . ?
C57 C58 C61 117.7(6) . . ?
C59 C58 C61 121.0(6) . . ?
C54 C59 H59 118.9 . . ?
C58 C59 C54 122.1(6) . . ?
C58 C59 H59 118.9 . . ?
F7 C60 C56 112.0(7) . . ?
F8 C60 C56 112.5(7) . . ?
F8 C60 F7 103.9(8) . . ?
F9 C60 C56 114.8(8) . . ?
F9 C60 F7 105.2(7) . . ?
F9 C60 F8 107.6(8) . . ?
F10 C61 C58 113.4(6) . . ?
F10 C61 F11 106.0(6) . . ?
F10 C61 F12 105.4(6) . . ?
F11 C61 C58 113.2(6) . . ?
F11 C61 F12 105.5(5) . . ?
F12 C61 C58 112.7(6) . . ?
C63 C62 B1 121.8(6) . . ?
C67 C62 B1 122.8(6) . . ?
C67 C62 C63 115.1(6) . . ?
C62 C63 H63 118.8 . . ?
C64 C63 C62 122.4(7) . . ?
C64 C63 H63 118.8 . . ?
C63 C64 C68 119.6(9) . . ?
C65 C64 C63 121.1(7) . . ?
C65 C64 C68 119.3(9) . . ?
C64 C65 H65 120.5 . . ?
C64 C65 C66 118.9(7) . . ?
C66 C65 H65 120.5 . . ?
C65 C66 C67 119.5(7) . . ?
C65 C66 C69 121.1(7) . . ?
C67 C66 C69 119.3(7) . . ?
C62 C67 H67 118.5 . . ?
C66 C67 C62 123.0(6) . . ?
C66 C67 H67 118.5 . . ?
F13 C68 C64 111.7(10) . . ?
F14 C68 C64 112.5(13) . . ?
F14 C68 F13 97.8(12) . . ?
F15 C68 C64 112.4(13) . . ?
F15 C68 F13 116.9(14) . . ?
F15 C68 F14 104.3(11) . . ?
F16 C69 C66 113.8(7) . . ?
F16 C69 F17 106.9(7) . . ?
F16 C69 F18 106.7(7) . . ?
F17 C69 C66 112.7(7) . . ?
F18 C69 C66 111.7(7) . . ?
F18 C69 F17 104.3(7) . . ?
C71 C70 B1 124.6(6) . . ?
C71 C70 C75 115.3(6) . . ?
C75 C70 B1 119.8(6) . . ?
C70 C71 H71 119.0 . . ?
C72 C71 C70 121.9(6) . . ?
C72 C71 H71 119.0 . . ?
C71 C72 C76 120.7(6) . . ?
C73 C72 C71 121.8(6) . . ?
C73 C72 C76 117.5(7) . . ?
C72 C73 H73 121.3 . . ?
C72 C73 C74 117.5(7) . . ?
C74 C73 H73 121.3 . . ?
C73 C74 C77 118.4(7) . . ?
C75 C74 C73 121.1(6) . . ?
C75 C74 C77 120.5(6) . . ?
C70 C75 H75 118.8 . . ?
C74 C75 C70 122.4(6) . . ?
C74 C75 H75 118.8 . . ?
F19 C76 C72 113.8(7) . . ?
F19 C76 F20 105.3(6) . . ?
F19 C76 F21 107.4(6) . . ?
F20 C76 C72 112.8(6) . . ?
F20 C76 F21 104.1(6) . . ?
F21 C76 C72 112.7(6) . . ?
F22 C77 C74 117.8(8) . . ?
F22 C77 F23 108.0(11) . . ?
F22 C77 F24 100.8(12) . . ?
F23 C77 C74 114.0(8) . . ?
F24 C77 C74 114.9(8) . . ?
F24 C77 F23 98.9(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Os1 P1 C1 C2 -66.3(6) . . . . ?
Os1 P1 C15 C16 -76.6(7) . . . . ?
Os1 P1 C29 C30 -61.2(7) . . . . ?
Os1 P2 C14 C13 67.3(9) . . . . ?
Os1 P2 C28 C27 78.5(7) . . . . ?
Os1 P2 C42 C41 67.9(10) . . . . ?
P1 C1 C2 C3 178.1(5) . . . . ?
P1 C15 C16 C17 -175.8(8) . . . . ?
P1 C29 C30 C31 -175.5(6) . . . . ?
C1 P1 C15 C16 50.4(7) . . . . ?
C1 P1 C29 C30 173.3(6) . . . . ?
C1 C2 C3 C4 168.3(7) . . . . ?
C2 C3 C4 C5 58.0(10) . . . . ?
C3 C4 C5 C6 58.9(10) . . . . ?
C4 C5 C6 C7 171.6(7) . . . . ?
C5 C6 C7 C8 -177.5(7) . . . . ?
C6 C7 C8 C9 -69.4(9) . . . . ?
C7 C8 C9 C10 -61.6(10) . . . . ?
C8 C9 C10 C11 -166.7(8) . . . . ?
C9 C10 C11 C12 -176.9(8) . . . . ?
C10 C11 C12 C13 74.4(13) . . . . ?
C11 C12 C13 C14 89.0(12) . . . . ?
C12 C13 C14 P2 -171.6(8) . . . . ?
C14 P2 C28 C27 -51.1(8) . . . . ?
C14 P2 C42 C41 -167.6(10) . . . . ?
C15 P1 C1 C2 165.9(6) . . . . ?
C15 P1 C29 C30 65.9(7) . . . . ?
C15 C16 C17 C18 -97.6(19) . . . . ?
C16 C17 C18 C19 -51(3) . . . . ?
C17 C18 C19 C20 151(2) . . . . ?
C18 C19 C20 C21 169.2(12) . . . . ?
C19 C20 C21 C22 64.8(15) . . . . ?
C20 C21 C22 C23 76.7(13) . . . . ?
C21 C22 C23 C24 -177.2(8) . . . . ?
C22 C23 C24 C25 -170.4(8) . . . . ?
C23 C24 C25 C26 -64.5(12) . . . . ?
C24 C25 C26 C27 -69.7(12) . . . . ?
C25 C26 C27 C28 177.6(8) . . . . ?
C26 C27 C28 P2 -170.4(7) . . . . ?
C28 P2 C14 C13 -163.4(8) . . . . ?
C28 P2 C42 C41 -59.0(11) . . . . ?
C29 P1 C1 C2 58.6(6) . . . . ?
C29 P1 C15 C16 157.8(7) . . . . ?
C29 C30 C31 C32 176.5(9) . . . . ?
C30 C31 C32 C33 44.7(18) . . . . ?
C31 C32 C33 C34 176.6(12) . . . . ?
C32 C33 C34 C35 177.7(13) . . . . ?
C33 C34 C35 C36 88.3(15) . . . . ?
C34 C35 C36 C37 -166.8(10) . . . . ?
C35 C36 C37 C38 72.4(19) . . . . ?
C36 C37 C38 C39 63(2) . . . . ?
C37 C38 C39 C40 173.6(16) . . . . ?
C38 C39 C40 C41 70(2) . . . . ?
C39 C40 C41 C42 154.9(19) . . . . ?
C40 C41 C42 P2 175.3(10) . . . . ?
C42 P2 C14 C13 -54.9(9) . . . . ?
C42 P2 C28 C27 -156.5(7) . . . . ?
B1 C46 C47 C48 177.2(6) . . . . ?
B1 C46 C51 C50 -176.4(7) . . . . ?
B1 C54 C55 C56 169.3(7) . . . . ?
B1 C54 C59 C58 -169.5(6) . . . . ?
B1 C62 C63 C64 173.0(8) . . . . ?
B1 C62 C67 C66 -172.9(7) . . . . ?
B1 C70 C71 C72 -174.4(6) . . . . ?
B1 C70 C75 C74 174.9(6) . . . . ?
C46 B1 C54 C55 -71.8(7) . . . . ?
C46 B1 C54 C59 98.6(7) . . . . ?
C46 B1 C62 C63 153.1(7) . . . . ?
C46 B1 C62 C67 -34.1(9) . . . . ?
C46 B1 C70 C71 -151.2(6) . . . . ?
C46 B1 C70 C75 36.6(8) . . . . ?
C46 C47 C48 C49 -0.6(11) . . . . ?
C46 C47 C48 C52 -179.6(7) . . . . ?
C47 C46 C51 C50 -0.5(10) . . . . ?
C47 C48 C49 C50 -0.7(11) . . . . ?
C47 C48 C52 F1 -40.7(9) . . . . ?
C47 C48 C52 F2 -160.9(6) . . . . ?
C47 C48 C52 F3 78.3(9) . . . . ?
C48 C49 C50 C51 1.4(11) . . . . ?
C48 C49 C50 C53 178.6(9) . . . . ?
C49 C48 C52 F1 140.3(7) . . . . ?
C49 C48 C52 F2 20.1(10) . . . . ?
C49 C48 C52 F3 -100.7(8) . . . . ?
C49 C50 C51 C46 -0.8(11) . . . . ?
C49 C50 C53 F4 -9.3(16) . . . . ?
C49 C50 C53 F5 114.8(10) . . . . ?
C49 C50 C53 F6 -130.7(10) . . . . ?
C51 C46 C47 C48 1.2(10) . . . . ?
C51 C50 C53 F4 167.9(10) . . . . ?
C51 C50 C53 F5 -67.9(12) . . . . ?
C51 C50 C53 F6 46.6(14) . . . . ?
C52 C48 C49 C50 178.3(7) . . . . ?
C53 C50 C51 C46 -178.0(8) . . . . ?
C54 B1 C46 C47 -87.9(7) . . . . ?
C54 B1 C46 C51 87.8(7) . . . . ?
C54 B1 C62 C63 37.1(9) . . . . ?
C54 B1 C62 C67 -150.1(6) . . . . ?
C54 B1 C70 C71 -33.1(9) . . . . ?
C54 B1 C70 C75 154.7(6) . . . . ?
C54 C55 C56 C57 2.0(11) . . . . ?
C54 C55 C56 C60 -179.1(7) . . . . ?
C55 C54 C59 C58 1.2(9) . . . . ?
C55 C56 C57 C58 -0.5(11) . . . . ?
C55 C56 C60 F7 28.6(12) . . . . ?
C55 C56 C60 F8 145.2(8) . . . . ?
C55 C56 C60 F9 -91.3(10) . . . . ?
C56 C57 C58 C59 -0.5(10) . . . . ?
C56 C57 C58 C61 -179.9(6) . . . . ?
C57 C56 C60 F7 -152.5(7) . . . . ?
C57 C56 C60 F8 -35.8(12) . . . . ?
C57 C56 C60 F9 87.7(10) . . . . ?
C57 C58 C59 C54 0.2(10) . . . . ?
C57 C58 C61 F10 71.8(8) . . . . ?
C57 C58 C61 F11 -48.9(8) . . . . ?
C57 C58 C61 F12 -168.5(6) . . . . ?
C59 C54 C55 C56 -2.2(10) . . . . ?
C59 C58 C61 F10 -107.5(7) . . . . ?
C59 C58 C61 F11 131.8(7) . . . . ?
C59 C58 C61 F12 12.2(9) . . . . ?
C60 C56 C57 C58 -179.5(7) . . . . ?
C61 C58 C59 C54 179.5(6) . . . . ?
C62 B1 C46 C47 151.5(6) . . . . ?
C62 B1 C46 C51 -32.7(9) . . . . ?
C62 B1 C54 C55 49.7(8) . . . . ?
C62 B1 C54 C59 -139.8(6) . . . . ?
C62 B1 C70 C71 88.0(7) . . . . ?
C62 B1 C70 C75 -84.2(7) . . . . ?
C62 C63 C64 C65 0.3(15) . . . . ?
C62 C63 C64 C68 -178.4(11) . . . . ?
C63 C62 C67 C66 0.3(11) . . . . ?
C63 C64 C65 C66 -0.2(15) . . . . ?
C63 C64 C68 F13 -36(2) . . . . ?
C63 C64 C68 F14 -145.1(11) . . . . ?
C63 C64 C68 F15 97.5(14) . . . . ?
C64 C65 C66 C67 0.2(13) . . . . ?
C64 C65 C66 C69 179.3(9) . . . . ?
C65 C64 C68 F13 145.1(13) . . . . ?
C65 C64 C68 F14 36.2(17) . . . . ?
C65 C64 C68 F15 -81.2(17) . . . . ?
C65 C66 C67 C62 -0.3(12) . . . . ?
C65 C66 C69 F16 8.1(12) . . . . ?
C65 C66 C69 F17 130.1(9) . . . . ?
C65 C66 C69 F18 -112.8(9) . . . . ?
C67 C62 C63 C64 -0.3(12) . . . . ?
C67 C66 C69 F16 -172.8(7) . . . . ?
C67 C66 C69 F17 -50.8(10) . . . . ?
C67 C66 C69 F18 66.3(10) . . . . ?
C68 C64 C65 C66 178.5(11) . . . . ?
C69 C66 C67 C62 -179.4(7) . . . . ?
C70 B1 C46 C47 37.3(9) . . . . ?
C70 B1 C46 C51 -147.0(6) . . . . ?
C70 B1 C54 C55 165.6(6) . . . . ?
C70 B1 C54 C59 -23.9(9) . . . . ?
C70 B1 C62 C63 -86.9(8) . . . . ?
C70 B1 C62 C67 85.9(7) . . . . ?
C70 C71 C72 C73 -0.3(11) . . . . ?
C70 C71 C72 C76 -176.7(6) . . . . ?
C71 C70 C75 C74 2.0(10) . . . . ?
C71 C72 C73 C74 2.6(11) . . . . ?
C71 C72 C76 F19 -18.3(10) . . . . ?
C71 C72 C76 F20 -138.1(7) . . . . ?
C71 C72 C76 F21 104.3(8) . . . . ?
C72 C73 C74 C75 -2.5(11) . . . . ?
C72 C73 C74 C77 175.9(7) . . . . ?
C73 C72 C76 F19 165.2(7) . . . . ?
C73 C72 C76 F20 45.3(10) . . . . ?
C73 C72 C76 F21 -72.2(9) . . . . ?
C73 C74 C75 C70 0.2(11) . . . . ?
C73 C74 C77 F22 1.0(17) . . . . ?
C73 C74 C77 F23 129.1(10) . . . . ?
C73 C74 C77 F24 -117.7(11) . . . . ?
C75 C70 C71 C72 -1.9(10) . . . . ?
C75 C74 C77 F22 179.4(13) . . . . ?
C75 C74 C77 F23 -52.5(12) . . . . ?
C75 C74 C77 F24 60.7(13) . . . . ?
C76 C72 C73 C74 179.0(7) . . . . ?
C77 C74 C75 C70 -178.2(7) . . . . ?

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CHCl3 and MeOH'
####################################################################### 
# 
# 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_jg
_database_code_depnum_ccdc_archive 'CCDC 1446702'
_audit_update_record             
;
2016-01-14 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H90 O2 Os P2'
_chemical_formula_weight         927.31

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'
O O 0.0106 0.0060 '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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.496(8)
_cell_length_b                   17.609(10)
_cell_length_c                   19.880(11)
_cell_angle_alpha                90
_cell_angle_beta                 96.549(7)
_cell_angle_gamma                90
_cell_volume                     4694(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9841
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      28.93

_exptl_crystal_description       block
_exptl_crystal_colour            'colorless '
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_F_000             1952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.818
_shelx_estimated_absorpt_T_min   0.485
_shelx_estimated_absorpt_T_max   0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4852
_exptl_absorpt_correction_T_max  0.7658
_exptl_absorpt_process_details   
;
SADABS-2009/1 (Bruker,2009) was employed for absorption correction.
The λ/2 correction was not applied
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_method       'phi and omega scans'
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56220
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.549
_diffrn_reflns_theta_max         29.127
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11876
_reflns_number_gt                9230
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
 
 The Os(CO)Me core was disordered and modelled employing 
 distance restraints (DFIX) and displacement restraints
 (ISOR).
;

_computing_data_collection       'APEXII (Bruker, 2012a)'
_computing_cell_refinement       'APEXII (Bruker, 2012a)'
_computing_data_reduction        'SAINT (Bruker, 2012b)'
_computing_structure_solution    'SHELXS (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'shelXLe (Hübschle 2011)'
_computing_publication_material  'Ciftab (Sheldrick, 2008)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0146P)²+3.0744P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11876
_refine_ls_number_parameters     488
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0522
_refine_ls_wR_factor_gt          0.0437
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.47399(2) 0.74886(2) 0.03162(2) 0.01871(3) Uani 1 1 d D . . . .
P1 P 0.33620(3) 0.71213(3) -0.04631(2) 0.01748(9) Uani 1 1 d . . . . .
P2 P 0.62373(4) 0.78700(3) 0.09718(2) 0.01834(9) Uani 1 1 d . . . . .
C1M C 0.5062(6) 0.6304(3) 0.0528(4) 0.0219(15) Uani 0.5 1 d D U P A 1
H1MA H 0.5483 0.6105 0.0198 0.033 Uiso 0.5 1 calc R U P A 1
H1MB H 0.5411 0.6253 0.0985 0.033 Uiso 0.5 1 calc R U P A 1
H1MC H 0.4436 0.6017 0.0496 0.033 Uiso 0.5 1 calc R U P A 1
C1A C 0.5108(6) 0.6424(3) 0.0430(3) 0.0178(14) Uani 0.5 1 d D U P A 2
O1A O 0.5337(2) 0.57677(16) 0.05060(15) 0.0289(6) Uani 0.5 1 d . . P A 2
C2M C 0.4350(5) 0.8671(3) 0.0163(4) 0.0154(13) Uani 0.5 1 d D U P A 1
H2MA H 0.4654 0.8867 -0.0227 0.023 Uiso 0.5 1 calc R U P A 1
H2MB H 0.3624 0.8721 0.0079 0.023 Uiso 0.5 1 calc R U P A 1
H2MC H 0.4597 0.8962 0.0569 0.023 Uiso 0.5 1 calc R U P A 1
C2A C 0.4469(6) 0.8552(4) 0.0119(4) 0.0255(19) Uani 0.5 1 d D U P A 2
O2A O 0.4256(2) 0.92052(18) -0.00190(17) 0.0361(7) Uani 0.5 1 d . . P A 2
C3 C 0.39815(15) 0.74883(11) 0.10693(10) 0.0226(4) Uani 1 1 d . . . . .
O3 O 0.35201(11) 0.74881(9) 0.15195(8) 0.0297(3) Uani 1 1 d . . . . .
C4 C 0.56102(15) 0.74897(12) -0.05614(10) 0.0252(4) Uani 1 1 d . . . . .
H4A H 0.5155 0.7447 -0.0981 0.038 Uiso 1 1 calc R U . . .
H4B H 0.6072 0.7058 -0.0526 0.038 Uiso 1 1 calc R U . . .
H4C H 0.5989 0.7964 -0.0566 0.038 Uiso 1 1 calc R U . . .
C5 C 0.28254(14) 0.78347(12) -0.10713(10) 0.0213(4) Uani 1 1 d . . . . .
H5A H 0.2266 0.7596 -0.1362 0.026 Uiso 1 1 calc R U . . .
H5B H 0.2542 0.8248 -0.0815 0.026 Uiso 1 1 calc R U . . .
C6 C 0.35346(14) 0.81882(11) -0.15300(10) 0.0223(4) Uani 1 1 d . . . . .
H6A H 0.4178 0.8300 -0.1257 0.027 Uiso 1 1 calc R U . . .
H6B H 0.3664 0.7815 -0.1882 0.027 Uiso 1 1 calc R U . . .
C7 C 0.31335(14) 0.89175(12) -0.18755(11) 0.0246(4) Uani 1 1 d . . . . .
H7A H 0.2948 0.9276 -0.1527 0.030 Uiso 1 1 calc R U . . .
H7B H 0.2522 0.8798 -0.2181 0.030 Uiso 1 1 calc R U . . .
C8 C 0.38893(14) 0.93024(12) -0.22844(10) 0.0239(4) Uani 1 1 d . . . . .
H8A H 0.4111 0.8929 -0.2608 0.029 Uiso 1 1 calc R U . . .
H8B H 0.3552 0.9723 -0.2551 0.029 Uiso 1 1 calc R U . . .
C9 C 0.48056(15) 0.96184(11) -0.18535(10) 0.0227(4) Uani 1 1 d . . . . .
H9A H 0.4589 0.9990 -0.1526 0.027 Uiso 1 1 calc R U . . .
H9B H 0.5154 0.9199 -0.1592 0.027 Uiso 1 1 calc R U . . .
C10 C 0.55278(15) 1.00034(11) -0.22826(10) 0.0245(4) Uani 1 1 d . . . . .
H10A H 0.5154 1.0380 -0.2582 0.029 Uiso 1 1 calc R U . . .
H10B H 0.5794 0.9616 -0.2575 0.029 Uiso 1 1 calc R U . . .
C11 C 0.64039(15) 1.04043(11) -0.18740(11) 0.0269(4) Uani 1 1 d . . . . .
H11A H 0.6778 1.0692 -0.2191 0.032 Uiso 1 1 calc R U . . .
H11B H 0.6136 1.0776 -0.1568 0.032 Uiso 1 1 calc R U . . .
C12 C 0.71296(15) 0.98780(11) -0.14512(11) 0.0249(4) Uani 1 1 d . . . . .
H12A H 0.6767 0.9596 -0.1125 0.030 Uiso 1 1 calc R U . . .
H12B H 0.7404 0.9504 -0.1752 0.030 Uiso 1 1 calc R U . . .
C13 C 0.79849(15) 1.03237(12) -0.10668(11) 0.0287(5) Uani 1 1 d . . . . .
H13A H 0.8259 1.0675 -0.1388 0.034 Uiso 1 1 calc R U . . .
H13B H 0.7711 1.0637 -0.0718 0.034 Uiso 1 1 calc R U . . .
C14 C 0.88400(15) 0.98464(13) -0.07209(11) 0.0284(5) Uani 1 1 d . . . . .
H14A H 0.9350 1.0193 -0.0493 0.034 Uiso 1 1 calc R U . . .
H14B H 0.9153 0.9566 -0.1073 0.034 Uiso 1 1 calc R U . . .
C15 C 0.85452(15) 0.92740(12) -0.01986(10) 0.0245(4) Uani 1 1 d . . . . .
H15A H 0.8027 0.8932 -0.0424 0.029 Uiso 1 1 calc R U . . .
H15B H 0.9135 0.8959 -0.0044 0.029 Uiso 1 1 calc R U . . .
C16 C 0.81502(16) 0.96238(12) 0.04221(10) 0.0261(4) Uani 1 1 d . . . . .
H16A H 0.7597 0.9975 0.0271 0.031 Uiso 1 1 calc R U . . .
H16B H 0.8688 0.9924 0.0678 0.031 Uiso 1 1 calc R U . . .
C17 C 0.77753(15) 0.90214(12) 0.08938(10) 0.0253(4) Uani 1 1 d . . . . .
H17A H 0.8288 0.8622 0.0989 0.030 Uiso 1 1 calc R U . . .
H17B H 0.7660 0.9260 0.1329 0.030 Uiso 1 1 calc R U . . .
C18 C 0.68092(15) 0.86651(13) 0.05675(10) 0.0275(4) Uani 1 1 d . . . . .
H18A H 0.6929 0.8495 0.0109 0.033 Uiso 1 1 calc R U . . .
H18B H 0.6305 0.9075 0.0506 0.033 Uiso 1 1 calc R U . . .
C19 C 0.60787(15) 0.82235(11) 0.18192(9) 0.0210(4) Uani 1 1 d . . . . .
H19A H 0.6700 0.8483 0.2008 0.025 Uiso 1 1 calc R U . . .
H19B H 0.5536 0.8604 0.1781 0.025 Uiso 1 1 calc R U . . .
C20 C 0.58336(14) 0.76001(10) 0.23145(9) 0.0192(4) Uani 1 1 d . . . . .
H20A H 0.5430 0.7201 0.2061 0.023 Uiso 1 1 calc R U . . .
H20B H 0.6462 0.7364 0.2520 0.023 Uiso 1 1 calc R U . . .
C21 C 0.52613(14) 0.79059(11) 0.28771(9) 0.0204(4) Uani 1 1 d . . . . .
H21A H 0.5693 0.8268 0.3156 0.024 Uiso 1 1 calc R U . . .
H21B H 0.4671 0.8189 0.2669 0.024 Uiso 1 1 calc R U . . .
C22 C 0.49172(15) 0.72907(11) 0.33356(10) 0.0217(4) Uani 1 1 d . . . . .
H22A H 0.5510 0.7050 0.3588 0.026 Uiso 1 1 calc R U . . .
H22B H 0.4556 0.6895 0.3052 0.026 Uiso 1 1 calc R U . . .
C23 C 0.42348(16) 0.75912(11) 0.38441(11) 0.0246(4) Uani 1 1 d . . . . .
H23A H 0.4095 0.7172 0.4151 0.030 Uiso 1 1 calc R U . . .
H23B H 0.4595 0.7992 0.4123 0.030 Uiso 1 1 calc R U . . .
C24 C 0.32427(14) 0.79163(11) 0.35197(10) 0.0233(4) Uani 1 1 d . . . . .
H24A H 0.2889 0.8145 0.3880 0.028 Uiso 1 1 calc R U . . .
H24B H 0.3383 0.8328 0.3205 0.028 Uiso 1 1 calc R U . . .
C25 C 0.25531(15) 0.73404(11) 0.31323(11) 0.0229(4) Uani 1 1 d . . . . .
H25A H 0.2283 0.6995 0.3460 0.027 Uiso 1 1 calc R U . . .
H25B H 0.2945 0.7030 0.2842 0.027 Uiso 1 1 calc R U . . .
C26 C 0.16869(15) 0.77104(11) 0.26909(11) 0.0235(4) Uani 1 1 d . . . . .
H26A H 0.1328 0.8054 0.2974 0.028 Uiso 1 1 calc R U . . .
H26B H 0.1954 0.8021 0.2338 0.028 Uiso 1 1 calc R U . . .
C27 C 0.09548(15) 0.71302(11) 0.23522(10) 0.0233(4) Uani 1 1 d . . . . .
H27A H 0.0600 0.6888 0.2705 0.028 Uiso 1 1 calc R U . . .
H27B H 0.1338 0.6729 0.2148 0.028 Uiso 1 1 calc R U . . .
C28 C 0.01796(15) 0.74504(12) 0.18025(11) 0.0250(4) Uani 1 1 d . . . . .
H28A H -0.0180 0.7871 0.2000 0.030 Uiso 1 1 calc R U . . .
H28B H -0.0314 0.7048 0.1664 0.030 Uiso 1 1 calc R U . . .
C29 C 0.06059(16) 0.77461(12) 0.11694(11) 0.0245(4) Uani 1 1 d . . . . .
H29A H 0.0062 0.7985 0.0866 0.029 Uiso 1 1 calc R U . . .
H29B H 0.1108 0.8143 0.1306 0.029 Uiso 1 1 calc R U . . .
C30 C 0.10900(14) 0.71297(11) 0.07789(10) 0.0219(4) Uani 1 1 d . . . . .
H30A H 0.0564 0.6785 0.0569 0.026 Uiso 1 1 calc R U . . .
H30B H 0.1543 0.6827 0.1101 0.026 Uiso 1 1 calc R U . . .
C31 C 0.16802(14) 0.74394(10) 0.02266(10) 0.0202(4) Uani 1 1 d . . . . .
H31A H 0.2164 0.7823 0.0426 0.024 Uiso 1 1 calc R U . . .
H31B H 0.1217 0.7694 -0.0125 0.024 Uiso 1 1 calc R U . . .
C32 C 0.22423(14) 0.68066(11) -0.01025(10) 0.0217(4) Uani 1 1 d . . . . .
H32A H 0.1783 0.6569 -0.0466 0.026 Uiso 1 1 calc R U . . .
H32B H 0.2436 0.6412 0.0242 0.026 Uiso 1 1 calc R U . . .
C33 C 0.72167(14) 0.71524(12) 0.11670(10) 0.0225(4) Uani 1 1 d . . . . .
H33A H 0.7781 0.7393 0.1452 0.027 Uiso 1 1 calc R U . . .
H33B H 0.6950 0.6746 0.1440 0.027 Uiso 1 1 calc R U . . .
C34 C 0.76212(15) 0.67841(12) 0.05555(10) 0.0234(4) Uani 1 1 d . . . . .
H34A H 0.7062 0.6705 0.0195 0.028 Uiso 1 1 calc R U . . .
H34B H 0.8100 0.7137 0.0378 0.028 Uiso 1 1 calc R U . . .
C35 C 0.81371(15) 0.60274(12) 0.07177(10) 0.0257(4) Uani 1 1 d . . . . .
H35A H 0.7677 0.5689 0.0930 0.031 Uiso 1 1 calc R U . . .
H35B H 0.8730 0.6113 0.1051 0.031 Uiso 1 1 calc R U . . .
C36 C 0.84665(15) 0.56287(12) 0.00936(10) 0.0256(4) Uani 1 1 d . . . . .
H36A H 0.8877 0.5986 -0.0141 0.031 Uiso 1 1 calc R U . . .
H36B H 0.8893 0.5190 0.0246 0.031 Uiso 1 1 calc R U . . .
C37 C 0.76054(15) 0.53484(11) -0.04102(10) 0.0230(4) Uani 1 1 d . . . . .
H37A H 0.7202 0.4981 -0.0181 0.028 Uiso 1 1 calc R U . . .
H37B H 0.7171 0.5784 -0.0559 0.028 Uiso 1 1 calc R U . . .
C38 C 0.79590(16) 0.49696(11) -0.10312(10) 0.0250(4) Uani 1 1 d . . . . .
H38A H 0.8472 0.4586 -0.0877 0.030 Uiso 1 1 calc R U . . .
H38B H 0.8281 0.5359 -0.1293 0.030 Uiso 1 1 calc R U . . .
C39 C 0.71357(16) 0.45822(11) -0.15021(11) 0.0274(4) Uani 1 1 d . . . . .
H39A H 0.7448 0.4305 -0.1856 0.033 Uiso 1 1 calc R U . . .
H39B H 0.6804 0.4202 -0.1237 0.033 Uiso 1 1 calc R U . . .
C40 C 0.63416(16) 0.51139(11) -0.18477(10) 0.0260(4) Uani 1 1 d . . . . .
H40A H 0.6664 0.5491 -0.2121 0.031 Uiso 1 1 calc R U . . .
H40B H 0.6023 0.5393 -0.1498 0.031 Uiso 1 1 calc R U . . .
C41 C 0.55399(16) 0.46873(12) -0.23057(11) 0.0287(5) Uani 1 1 d . . . . .
H41A H 0.5155 0.4368 -0.2018 0.034 Uiso 1 1 calc R U . . .
H41B H 0.5873 0.4343 -0.2603 0.034 Uiso 1 1 calc R U . . .
C42 C 0.48107(16) 0.51926(13) -0.27492(11) 0.0294(5) Uani 1 1 d . . . . .
H42A H 0.5189 0.5478 -0.3065 0.035 Uiso 1 1 calc R U . . .
H42B H 0.4328 0.4863 -0.3025 0.035 Uiso 1 1 calc R U . . .
C43 C 0.42283(15) 0.57602(12) -0.23648(10) 0.0247(4) Uani 1 1 d . . . . .
H43A H 0.4709 0.6067 -0.2065 0.030 Uiso 1 1 calc R U . . .
H43B H 0.3864 0.6110 -0.2696 0.030 Uiso 1 1 calc R U . . .
C44 C 0.34867(16) 0.54024(12) -0.19399(11) 0.0273(4) Uani 1 1 d . . . . .
H44A H 0.3840 0.5036 -0.1620 0.033 Uiso 1 1 calc R U . . .
H44B H 0.2980 0.5119 -0.2240 0.033 Uiso 1 1 calc R U . . .
C45 C 0.29619(15) 0.59969(12) -0.15390(10) 0.0255(4) Uani 1 1 d . . . . .
H45A H 0.2724 0.6422 -0.1841 0.031 Uiso 1 1 calc R U . . .
H45B H 0.2376 0.5764 -0.1362 0.031 Uiso 1 1 calc R U . . .
C46 C 0.36833(15) 0.62977(12) -0.09515(10) 0.0253(4) Uani 1 1 d . . . . .
H46A H 0.4317 0.6418 -0.1135 0.030 Uiso 1 1 calc R U . . .
H46B H 0.3825 0.5873 -0.0628 0.030 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 C3 1.908(2) . ?
Os1 C2A 1.940(6) . ?
Os1 C1A 1.946(6) . ?
Os1 C2M 2.160(5) . ?
Os1 C1M 2.162(6) . ?
Os1 C4 2.211(2) . ?
Os1 P1 2.3705(10) . ?
Os1 P2 2.3734(11) . ?
P1 C46 1.825(2) . ?
P1 C32 1.831(2) . ?
P1 C5 1.834(2) . ?
P2 C18 1.829(2) . ?
P2 C19 1.831(2) . ?
P2 C33 1.838(2) . ?
C1M H1MA 0.9800 . ?
C1M H1MB 0.9800 . ?
C1M H1MC 0.9800 . ?
C1A O1A 1.201(6) . ?
C2M H2MA 0.9800 . ?
C2M H2MB 0.9800 . ?
C2M H2MC 0.9800 . ?
C2A O2A 1.209(7) . ?
C3 O3 1.147(3) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.528(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.526(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.533(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.527(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.526(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.529(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.529(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.527(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.526(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.532(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.529(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.539(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.524(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.536(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.528(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.522(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.537(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.529(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.525(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.525(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.524(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.532(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.533(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.524(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.529(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.536(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.532(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.521(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.535(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.527(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.527(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.529(3) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.526(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.529(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.530(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.529(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.518(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.537(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.527(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Os1 C2A 93.0(3) . . ?
C3 Os1 C1A 93.5(2) . . ?
C2A Os1 C1A 173.4(3) . . ?
C3 Os1 C2M 88.1(2) . . ?
C3 Os1 C1M 87.8(2) . . ?
C2M Os1 C1M 175.8(3) . . ?
C3 Os1 C4 179.63(8) . . ?
C2A Os1 C4 86.8(3) . . ?
C1A Os1 C4 86.6(2) . . ?
C2M Os1 C4 91.8(2) . . ?
C1M Os1 C4 92.4(2) . . ?
C3 Os1 P1 93.54(7) . . ?
C2A Os1 P1 90.9(3) . . ?
C1A Os1 P1 89.1(2) . . ?
C2M Os1 P1 90.63(18) . . ?
C1M Os1 P1 89.4(2) . . ?
C4 Os1 P1 86.12(7) . . ?
C3 Os1 P2 93.93(7) . . ?
C2A Os1 P2 88.1(3) . . ?
C1A Os1 P2 91.1(2) . . ?
C2M Os1 P2 89.01(18) . . ?
C1M Os1 P2 91.5(2) . . ?
C4 Os1 P2 86.42(7) . . ?
P1 Os1 P2 172.511(16) . . ?
C46 P1 C32 102.98(10) . . ?
C46 P1 C5 107.06(10) . . ?
C32 P1 C5 100.60(9) . . ?
C46 P1 Os1 110.38(7) . . ?
C32 P1 Os1 116.60(8) . . ?
C5 P1 Os1 117.72(7) . . ?
C18 P2 C19 104.10(10) . . ?
C18 P2 C33 106.85(10) . . ?
C19 P2 C33 101.32(9) . . ?
C18 P2 Os1 110.54(7) . . ?
C19 P2 Os1 114.82(7) . . ?
C33 P2 Os1 117.92(7) . . ?
Os1 C1M H1MA 109.5 . . ?
Os1 C1M H1MB 109.5 . . ?
H1MA C1M H1MB 109.5 . . ?
Os1 C1M H1MC 109.5 . . ?
H1MA C1M H1MC 109.5 . . ?
H1MB C1M H1MC 109.5 . . ?
O1A C1A Os1 179.4(6) . . ?
Os1 C2M H2MA 109.5 . . ?
Os1 C2M H2MB 109.5 . . ?
H2MA C2M H2MB 109.5 . . ?
Os1 C2M H2MC 109.5 . . ?
H2MA C2M H2MC 109.5 . . ?
H2MB C2M H2MC 109.5 . . ?
O2A C2A Os1 176.9(7) . . ?
O3 C3 Os1 179.58(18) . . ?
Os1 C4 H4A 109.5 . . ?
Os1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Os1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 116.45(14) . . ?
C6 C5 H5A 108.2 . . ?
P1 C5 H5A 108.2 . . ?
C6 C5 H5B 108.2 . . ?
P1 C5 H5B 108.2 . . ?
H5A C5 H5B 107.3 . . ?
C7 C6 C5 113.41(16) . . ?
C7 C6 H6A 108.9 . . ?
C5 C6 H6A 108.9 . . ?
C7 C6 H6B 108.9 . . ?
C5 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
C6 C7 C8 112.79(16) . . ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
C6 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C9 C8 C7 114.14(17) . . ?
C9 C8 H8A 108.7 . . ?
C7 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C10 C9 C8 112.11(17) . . ?
C10 C9 H9A 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C9 C10 C11 114.38(18) . . ?
C9 C10 H10A 108.7 . . ?
C11 C10 H10A 108.7 . . ?
C9 C10 H10B 108.7 . . ?
C11 C10 H10B 108.7 . . ?
H10A C10 H10B 107.6 . . ?
C12 C11 C10 114.86(17) . . ?
C12 C11 H11A 108.6 . . ?
C10 C11 H11A 108.6 . . ?
C12 C11 H11B 108.6 . . ?
C10 C11 H11B 108.6 . . ?
H11A C11 H11B 107.5 . . ?
C13 C12 C11 111.34(17) . . ?
C13 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 115.60(18) . . ?
C14 C13 H13A 108.4 . . ?
C12 C13 H13A 108.4 . . ?
C14 C13 H13B 108.4 . . ?
C12 C13 H13B 108.4 . . ?
H13A C13 H13B 107.4 . . ?
C13 C14 C15 115.23(17) . . ?
C13 C14 H14A 108.5 . . ?
C15 C14 H14A 108.5 . . ?
C13 C14 H14B 108.5 . . ?
C15 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
C16 C15 C14 115.05(18) . . ?
C16 C15 H15A 108.5 . . ?
C14 C15 H15A 108.5 . . ?
C16 C15 H15B 108.5 . . ?
C14 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C15 C16 C17 112.53(17) . . ?
C15 C16 H16A 109.1 . . ?
C17 C16 H16A 109.1 . . ?
C15 C16 H16B 109.1 . . ?
C17 C16 H16B 109.1 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17 C16 110.45(17) . . ?
C18 C17 H17A 109.6 . . ?
C16 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
C16 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C17 C18 P2 120.78(15) . . ?
C17 C18 H18A 107.1 . . ?
P2 C18 H18A 107.1 . . ?
C17 C18 H18B 107.1 . . ?
P2 C18 H18B 107.1 . . ?
H18A C18 H18B 106.8 . . ?
C20 C19 P2 113.77(13) . . ?
C20 C19 H19A 108.8 . . ?
P2 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
P2 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C21 C20 C19 112.41(15) . . ?
C21 C20 H20A 109.1 . . ?
C19 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C19 C20 H20B 109.1 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 113.69(16) . . ?
C22 C21 H21A 108.8 . . ?
C20 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
C20 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C21 C22 C23 113.30(17) . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
C23 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C24 C23 C22 114.39(17) . . ?
C24 C23 H23A 108.7 . . ?
C22 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
C22 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
C25 C24 C23 114.74(17) . . ?
C25 C24 H24A 108.6 . . ?
C23 C24 H24A 108.6 . . ?
C25 C24 H24B 108.6 . . ?
C23 C24 H24B 108.6 . . ?
H24A C24 H24B 107.6 . . ?
C24 C25 C26 112.96(17) . . ?
C24 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
C24 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C27 C26 C25 112.56(17) . . ?
C27 C26 H26A 109.1 . . ?
C25 C26 H26A 109.1 . . ?
C27 C26 H26B 109.1 . . ?
C25 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
C26 C27 C28 115.11(17) . . ?
C26 C27 H27A 108.5 . . ?
C28 C27 H27A 108.5 . . ?
C26 C27 H27B 108.5 . . ?
C28 C27 H27B 108.5 . . ?
H27A C27 H27B 107.5 . . ?
C27 C28 C29 114.89(17) . . ?
C27 C28 H28A 108.5 . . ?
C29 C28 H28A 108.5 . . ?
C27 C28 H28B 108.5 . . ?
C29 C28 H28B 108.5 . . ?
H28A C28 H28B 107.5 . . ?
C30 C29 C28 113.51(17) . . ?
C30 C29 H29A 108.9 . . ?
C28 C29 H29A 108.9 . . ?
C30 C29 H29B 108.9 . . ?
C28 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 C31 113.61(17) . . ?
C29 C30 H30A 108.8 . . ?
C31 C30 H30A 108.8 . . ?
C29 C30 H30B 108.8 . . ?
C31 C30 H30B 108.8 . . ?
H30A C30 H30B 107.7 . . ?
C30 C31 C32 111.73(16) . . ?
C30 C31 H31A 109.3 . . ?
C32 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 107.9 . . ?
C31 C32 P1 114.65(13) . . ?
C31 C32 H32A 108.6 . . ?
P1 C32 H32A 108.6 . . ?
C31 C32 H32B 108.6 . . ?
P1 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C34 C33 P2 115.86(14) . . ?
C34 C33 H33A 108.3 . . ?
P2 C33 H33A 108.3 . . ?
C34 C33 H33B 108.3 . . ?
P2 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
C35 C34 C33 113.49(17) . . ?
C35 C34 H34A 108.9 . . ?
C33 C34 H34A 108.9 . . ?
C35 C34 H34B 108.9 . . ?
C33 C34 H34B 108.9 . . ?
H34A C34 H34B 107.7 . . ?
C34 C35 C36 113.40(17) . . ?
C34 C35 H35A 108.9 . . ?
C36 C35 H35A 108.9 . . ?
C34 C35 H35B 108.9 . . ?
C36 C35 H35B 108.9 . . ?
H35A C35 H35B 107.7 . . ?
C37 C36 C35 114.15(17) . . ?
C37 C36 H36A 108.7 . . ?
C35 C36 H36A 108.7 . . ?
C37 C36 H36B 108.7 . . ?
C35 C36 H36B 108.7 . . ?
H36A C36 H36B 107.6 . . ?
C38 C37 C36 112.77(17) . . ?
C38 C37 H37A 109.0 . . ?
C36 C37 H37A 109.0 . . ?
C38 C37 H37B 109.0 . . ?
C36 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C37 C38 C39 114.68(17) . . ?
C37 C38 H38A 108.6 . . ?
C39 C38 H38A 108.6 . . ?
C37 C38 H38B 108.6 . . ?
C39 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 C38 115.20(17) . . ?
C40 C39 H39A 108.5 . . ?
C38 C39 H39A 108.5 . . ?
C40 C39 H39B 108.5 . . ?
C38 C39 H39B 108.5 . . ?
H39A C39 H39B 107.5 . . ?
C39 C40 C41 112.30(17) . . ?
C39 C40 H40A 109.1 . . ?
C41 C40 H40A 109.1 . . ?
C39 C40 H40B 109.1 . . ?
C41 C40 H40B 109.1 . . ?
H40A C40 H40B 107.9 . . ?
C40 C41 C42 114.98(18) . . ?
C40 C41 H41A 108.5 . . ?
C42 C41 H41A 108.5 . . ?
C40 C41 H41B 108.5 . . ?
C42 C41 H41B 108.5 . . ?
H41A C41 H41B 107.5 . . ?
C43 C42 C41 115.19(17) . . ?
C43 C42 H42A 108.5 . . ?
C41 C42 H42A 108.5 . . ?
C43 C42 H42B 108.5 . . ?
C41 C42 H42B 108.5 . . ?
H42A C42 H42B 107.5 . . ?
C44 C43 C42 114.58(18) . . ?
C44 C43 H43A 108.6 . . ?
C42 C43 H43A 108.6 . . ?
C44 C43 H43B 108.6 . . ?
C42 C43 H43B 108.6 . . ?
H43A C43 H43B 107.6 . . ?
C43 C44 C45 112.21(17) . . ?
C43 C44 H44A 109.2 . . ?
C45 C44 H44A 109.2 . . ?
C43 C44 H44B 109.2 . . ?
C45 C44 H44B 109.2 . . ?
H44A C44 H44B 107.9 . . ?
C46 C45 C44 109.96(17) . . ?
C46 C45 H45A 109.7 . . ?
C44 C45 H45A 109.7 . . ?
C46 C45 H45B 109.7 . . ?
C44 C45 H45B 109.7 . . ?
H45A C45 H45B 108.2 . . ?
C45 C46 P1 120.86(15) . . ?
C45 C46 H46A 107.1 . . ?
P1 C46 H46A 107.1 . . ?
C45 C46 H46B 107.1 . . ?
P1 C46 H46B 107.1 . . ?
H46A C46 H46B 106.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C46 P1 C5 C6 -67.50(17) . . . . ?
C32 P1 C5 C6 -174.75(15) . . . . ?
Os1 P1 C5 C6 57.45(17) . . . . ?
P1 C5 C6 C7 -163.81(14) . . . . ?
C5 C6 C7 C8 175.00(17) . . . . ?
C6 C7 C8 C9 -67.1(2) . . . . ?
C7 C8 C9 C10 -179.31(17) . . . . ?
C8 C9 C10 C11 173.80(17) . . . . ?
C9 C10 C11 C12 65.7(2) . . . . ?
C10 C11 C12 C13 179.38(18) . . . . ?
C11 C12 C13 C14 -170.43(18) . . . . ?
C12 C13 C14 C15 -58.8(3) . . . . ?
C13 C14 C15 C16 -64.4(2) . . . . ?
C14 C15 C16 C17 174.60(17) . . . . ?
C15 C16 C17 C18 -70.9(2) . . . . ?
C16 C17 C18 P2 174.56(15) . . . . ?
C19 P2 C18 C17 55.49(19) . . . . ?
C33 P2 C18 C17 -51.2(2) . . . . ?
Os1 P2 C18 C17 179.29(15) . . . . ?
C18 P2 C19 C20 -166.64(14) . . . . ?
C33 P2 C19 C20 -55.85(16) . . . . ?
Os1 P2 C19 C20 72.38(15) . . . . ?
P2 C19 C20 C21 -154.16(13) . . . . ?
C19 C20 C21 C22 174.26(16) . . . . ?
C20 C21 C22 C23 -172.95(16) . . . . ?
C21 C22 C23 C24 63.7(2) . . . . ?
C22 C23 C24 C25 64.4(2) . . . . ?
C23 C24 C25 C26 -167.27(17) . . . . ?
C24 C25 C26 C27 -175.19(16) . . . . ?
C25 C26 C27 C28 -169.10(17) . . . . ?
C26 C27 C28 C29 66.4(2) . . . . ?
C27 C28 C29 C30 64.0(2) . . . . ?
C28 C29 C30 C31 -169.40(17) . . . . ?
C29 C30 C31 C32 174.08(17) . . . . ?
C30 C31 C32 P1 -153.53(14) . . . . ?
C46 P1 C32 C31 -168.73(14) . . . . ?
C5 P1 C32 C31 -58.27(16) . . . . ?
Os1 P1 C32 C31 70.27(15) . . . . ?
C18 P2 C33 C34 -65.47(17) . . . . ?
C19 P2 C33 C34 -174.15(15) . . . . ?
Os1 P2 C33 C34 59.65(17) . . . . ?
P2 C33 C34 C35 -159.72(15) . . . . ?
C33 C34 C35 C36 175.33(17) . . . . ?
C34 C35 C36 C37 -68.0(2) . . . . ?
C35 C36 C37 C38 178.82(17) . . . . ?
C36 C37 C38 C39 171.90(17) . . . . ?
C37 C38 C39 C40 64.8(2) . . . . ?
C38 C39 C40 C41 -179.57(18) . . . . ?
C39 C40 C41 C42 -171.16(18) . . . . ?
C40 C41 C42 C43 -58.4(3) . . . . ?
C41 C42 C43 C44 -67.3(2) . . . . ?
C42 C43 C44 C45 177.21(17) . . . . ?
C43 C44 C45 C46 -73.3(2) . . . . ?
C44 C45 C46 P1 169.67(15) . . . . ?
C32 P1 C46 C45 61.16(19) . . . . ?
C5 P1 C46 C45 -44.40(19) . . . . ?
Os1 P1 C46 C45 -173.68(15) . . . . ?

_refine_diff_density_max         0.521
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.071

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_jgb
_database_code_depnum_ccdc_archive 'CCDC 1446703'
_audit_update_record             
;
2016-01-11 deposited with the CCDC.
2016-03-23 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_jgb                 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: ..No observable reflections were seen above
 42 deg two-theta. Even longer collection time/frame 
did not increase the intensity at higher angles. Significant 
disorder of the long hydrocarbon chains, seen as 
elongated thermal ellipsoids, is the probable cause for the 
absence of higher angle reflections.
;
_vrf_PLAT230_jgb                 
;
PROBLEM: Hirshfeld Test Diff for    P2     --  C42     ..        7.4 su    
RESPONSE: The thermal parameters of the long hydrocarbon
chains were significantly elongated suggesting disorder in 
these groups. Trials to model this disorder, while 
increasing the number of restraints, did not improve 
the refinement results. Accordingly, SIMU and DELU 
commands were used to make the thermal ellipsoids 
reasonable. 
;
_vrf_PLAT342_jgb                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0286 Ang.  
RESPONSE: No observable reflections were seen above
 42 deg two-theta. Even longer collection time/frame 
did not increase the intensity at higher angles. Absence
of higher angle reflections is the probable cause for 
the lower bond precision on C-C bonds.
;
_vrf_PLAT411_jgb                 
;
PROBLEM: Short Inter H...H Contact  H3A    ..  H38A    ..       1.94 Ang.  
RESPONSE: The thermal parameters of the long hydrocarbon
chains were significantly elongated suggesting disorder in 
these groups. Trials to model this disorder, while 
increasing the number of restraints, did not improve 
the refinement results. Accordingly, SIMU and DELU 
commands were used to make the thermal ellipsoids 
reasonable. Accordingly, the hydrogen positions were placed to 
only satisfy the stoichiometry.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H94 O2 Os P2'
_chemical_formula_weight         1051.45

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'
O O 0.0106 0.0060 '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'
Os Os -1.2165 7.6030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   15.622(3)
_cell_length_b                   18.229(3)
_cell_length_c                   18.907(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.607(2)
_cell_angle_gamma                90.00
_cell_volume                     5336.7(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    9895
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      21.01

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2208
_exptl_absorpt_coefficient_mu    2.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4361
_exptl_absorpt_correction_T_max  0.7545
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'

_exptl_special_details           
; 
 No observable reflections were seen above 42 deg
 two-theta. Even with significant long collection 
 time/frame did not increase the intensity at higher
 angles. Significant disorder of the long hydrocarbon
 chains, seen as elongated thermal ellipsoids, could
 cause the absence of higher angle reflections.
;

_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33979
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.56
_diffrn_reflns_theta_max         21.00
_reflns_number_total             5728
_reflns_number_gt                4442
_reflns_threshold_expression     >2sigma(I)
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_decay_%        0


_computing_data_collection       'APEX-II (BRUKER-NONIUS, 2003)'
_computing_cell_refinement       
; 
  APEX-II(BRUKER-NONIUS, 2003) 
;
_computing_data_reduction        APEX-II
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 The thermal parameters of the long hydrocarbon chains were significantly
 elongated suggesting disorder in these groups. Trials to model this 
 disorder, while increasing the number of restraints did not improve the
 refinement results. Accordingly, SIMU and DELU commands were used to 
 make the thermal ellipsoids reasonable.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0891P)²+93.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5728
_refine_ls_number_parameters     550
_refine_ls_number_restraints     397
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0700
_refine_ls_wR_factor_ref         0.2262
_refine_ls_wR_factor_gt          0.1778
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.29776(4) 0.30406(4) 0.94943(3) 0.0585(3) Uani 1 1 d . . .
P1 P 0.3227(3) 0.2459(3) 1.0642(2) 0.0675(12) Uani 1 1 d . . .
P2 P 0.2602(4) 0.3641(3) 0.8365(2) 0.0808(15) Uani 1 1 d . . .
C1 C 0.4373(13) 0.2314(12) 1.0953(13) 0.122(4) Uani 1 1 d DU . .
H1A H 0.4697 0.2752 1.0830 0.146 Uiso 1 1 calc R . .
H1B H 0.4450 0.2272 1.1479 0.146 Uiso 1 1 calc R . .
C2 C 0.4762(11) 0.1639(11) 1.0646(13) 0.126(4) Uani 1 1 d DU . .
H2A H 0.4587 0.1621 1.0123 0.151 Uiso 1 1 calc R . .
H2B H 0.4543 0.1191 1.0857 0.151 Uiso 1 1 calc R . .
C3 C 0.5751(10) 0.1661(10) 1.0806(14) 0.132(4) Uani 1 1 d DU . .
H3A H 0.5973 0.2008 1.0471 0.158 Uiso 1 1 calc R . .
H3B H 0.5913 0.1854 1.1294 0.158 Uiso 1 1 calc R . .
C4 C 0.6196(14) 0.0926(11) 1.0749(9) 0.142(4) Uani 1 1 d DU . .
H4A H 0.6825 0.1013 1.0779 0.170 Uiso 1 1 calc R . .
H4B H 0.6098 0.0623 1.1165 0.170 Uiso 1 1 calc R . .
C5 C 0.5910(17) 0.0494(11) 1.0081(11) 0.150(4) Uani 1 1 d DU . .
H5A H 0.5271 0.0489 0.9991 0.180 Uiso 1 1 calc R . .
H5B H 0.6110 -0.0019 1.0150 0.180 Uiso 1 1 calc R . .
C6 C 0.6266(18) 0.0822(12) 0.9436(10) 0.158(4) Uani 1 1 d DU . .
H6A H 0.6866 0.0975 0.9609 0.189 Uiso 1 1 calc R . .
H6B H 0.5936 0.1278 0.9317 0.189 Uiso 1 1 calc R . .
C7 C 0.6305(15) 0.0426(13) 0.8725(10) 0.164(4) Uani 1 1 d DU . .
H7A H 0.6813 0.0602 0.8511 0.197 Uiso 1 1 calc R . .
H7B H 0.6374 -0.0108 0.8811 0.197 Uiso 1 1 calc R . .
C8 C 0.5503(15) 0.0563(11) 0.8219(12) 0.165(4) Uani 1 1 d DU . .
H8A H 0.5005 0.0609 0.8490 0.198 Uiso 1 1 calc R . .
H8B H 0.5394 0.0142 0.7890 0.198 Uiso 1 1 calc R . .
C9 C 0.5587(13) 0.1262(13) 0.7790(14) 0.164(4) Uani 1 1 d DU . .
H9A H 0.5800 0.1675 0.8106 0.197 Uiso 1 1 calc R . .
H9B H 0.5986 0.1189 0.7430 0.197 Uiso 1 1 calc R . .
C10 C 0.4671(14) 0.1404(11) 0.7434(14) 0.160(4) Uani 1 1 d DU . .
H10A H 0.4518 0.1030 0.7058 0.192 Uiso 1 1 calc R . .
H10B H 0.4269 0.1347 0.7793 0.192 Uiso 1 1 calc R . .
C11 C 0.4555(13) 0.2160(11) 0.7103(13) 0.156(4) Uani 1 1 d DU . .
H11A H 0.4796 0.2524 0.7464 0.188 Uiso 1 1 calc R . .
H11B H 0.4904 0.2187 0.6703 0.188 Uiso 1 1 calc R . .
C12 C 0.3642(14) 0.2389(13) 0.6825(9) 0.151(4) Uani 1 1 d DU . .
H12A H 0.3362 0.1983 0.6534 0.182 Uiso 1 1 calc R . .
H12B H 0.3669 0.2816 0.6505 0.182 Uiso 1 1 calc R . .
C13 C 0.3070(15) 0.2592(11) 0.7396(12) 0.147(4) Uani 1 1 d DU . .
H13A H 0.3158 0.2232 0.7791 0.177 Uiso 1 1 calc R . .
H13B H 0.2455 0.2575 0.7187 0.177 Uiso 1 1 calc R . .
C14 C 0.329(2) 0.3366(12) 0.7688(13) 0.144(5) Uani 1 1 d DU . .
H14A H 0.3221 0.3722 0.7289 0.173 Uiso 1 1 calc R . .
H14B H 0.3907 0.3377 0.7905 0.173 Uiso 1 1 calc R . .
C15 C 0.2761(10) 0.1553(12) 1.0776(14) 0.115(4) Uani 1 1 d DU . .
H15A H 0.2934 0.1212 1.0413 0.138 Uiso 1 1 calc R . .
H15B H 0.3010 0.1367 1.1251 0.138 Uiso 1 1 calc R . .
C16 C 0.1783(10) 0.1544(10) 1.0731(14) 0.118(4) Uani 1 1 d DU . .
H16A H 0.1524 0.1715 1.0253 0.142 Uiso 1 1 calc R . .
H16B H 0.1600 0.1885 1.1091 0.142 Uiso 1 1 calc R . .
C17 C 0.1455(10) 0.0769(10) 1.0864(13) 0.127(4) Uani 1 1 d DU . .
H17A H 0.1813 0.0411 1.0641 0.152 Uiso 1 1 calc R . .
H17B H 0.1540 0.0676 1.1384 0.152 Uiso 1 1 calc R . .
C18 C 0.0514(10) 0.0634(11) 1.0581(13) 0.134(4) Uani 1 1 d DU . .
H18A H 0.0455 0.0627 1.0053 0.161 Uiso 1 1 calc R . .
H18B H 0.0353 0.0141 1.0739 0.161 Uiso 1 1 calc R . .
C19 C -0.0118(11) 0.1179(13) 1.0803(11) 0.141(4) Uani 1 1 d DU . .
H19A H 0.0118 0.1680 1.0770 0.169 Uiso 1 1 calc R . .
H19B H -0.0197 0.1089 1.1307 0.169 Uiso 1 1 calc R . .
C20 C -0.0992(11) 0.1129(12) 1.0336(11) 0.142(4) Uani 1 1 d DU . .
H20A H -0.1413 0.1359 1.0615 0.170 Uiso 1 1 calc R . .
H20B H -0.1138 0.0600 1.0307 0.170 Uiso 1 1 calc R . .
C21 C -0.1207(16) 0.1426(10) 0.9576(10) 0.140(4) Uani 1 1 d DU . .
H21A H -0.0830 0.1185 0.9263 0.167 Uiso 1 1 calc R . .
H21B H -0.1813 0.1304 0.9393 0.167 Uiso 1 1 calc R . .
C22 C -0.1086(18) 0.2233(10) 0.9549(10) 0.138(4) Uani 1 1 d DU . .
H22A H -0.0494 0.2358 0.9772 0.166 Uiso 1 1 calc R . .
H22B H -0.1498 0.2475 0.9828 0.166 Uiso 1 1 calc R . .
C23 C -0.1223(17) 0.2524(10) 0.8787(10) 0.137(4) Uani 1 1 d DU . .
H23A H -0.0845 0.2267 0.8487 0.165 Uiso 1 1 calc R . .
H23B H -0.1832 0.2464 0.8572 0.165 Uiso 1 1 calc R . .
C24 C -0.0984(16) 0.3329(10) 0.8867(10) 0.136(4) Uani 1 1 d DU . .
H24A H -0.1434 0.3583 0.9099 0.163 Uiso 1 1 calc R . .
H24B H -0.0434 0.3370 0.9191 0.163 Uiso 1 1 calc R . .
C25 C -0.0886(12) 0.3724(11) 0.8181(11) 0.133(4) Uani 1 1 d DU . .
H25A H -0.1399 0.3608 0.7832 0.159 Uiso 1 1 calc R . .
H25B H -0.0900 0.4258 0.8275 0.159 Uiso 1 1 calc R . .
C26 C -0.0093(11) 0.3564(13) 0.7832(10) 0.126(4) Uani 1 1 d DU . .
H26A H -0.0187 0.3762 0.7341 0.151 Uiso 1 1 calc R . .
H26B H -0.0035 0.3025 0.7795 0.151 Uiso 1 1 calc R . .
C27 C 0.0766(11) 0.3870(13) 0.8206(11) 0.120(4) Uani 1 1 d DU . .
H27A H 0.0824 0.3754 0.8721 0.144 Uiso 1 1 calc R . .
H27B H 0.0774 0.4410 0.8152 0.144 Uiso 1 1 calc R . .
C28 C 0.1526(11) 0.3532(14) 0.7879(12) 0.117(4) Uani 1 1 d DU . .
H28A H 0.1527 0.3747 0.7398 0.140 Uiso 1 1 calc R . .
H28B H 0.1413 0.3001 0.7814 0.140 Uiso 1 1 calc R . .
C29 C 0.2858(17) 0.2937(13) 1.1368(14) 0.141(5) Uani 1 1 d DU . .
H29A H 0.2243 0.3066 1.1232 0.170 Uiso 1 1 calc R . .
H29B H 0.2892 0.2601 1.1782 0.170 Uiso 1 1 calc R . .
C30 C 0.3354(15) 0.3632(12) 1.1600(13) 0.146(4) Uani 1 1 d DU . .
H30A H 0.3343 0.3968 1.1188 0.175 Uiso 1 1 calc R . .
H30B H 0.3964 0.3508 1.1768 0.175 Uiso 1 1 calc R . .
C31 C 0.2953(16) 0.4014(11) 1.2202(11) 0.150(4) Uani 1 1 d DU . .
H31A H 0.2329 0.3896 1.2149 0.180 Uiso 1 1 calc R . .
H31B H 0.3220 0.3812 1.2665 0.180 Uiso 1 1 calc R . .
C32 C 0.3059(13) 0.4843(10) 1.2217(14) 0.155(4) Uani 1 1 d DU . .
H32A H 0.2682 0.5053 1.1804 0.187 Uiso 1 1 calc R . .
H32B H 0.2855 0.5033 1.2655 0.187 Uiso 1 1 calc R . .
C33 C 0.3965(13) 0.5108(10) 1.2195(14) 0.157(4) Uani 1 1 d DU . .
H33A H 0.4172 0.4929 1.1753 0.188 Uiso 1 1 calc R . .
H33B H 0.4348 0.4901 1.2607 0.188 Uiso 1 1 calc R . .
C34 C 0.4022(16) 0.5943(11) 1.2219(11) 0.161(4) Uani 1 1 d DU . .
H34A H 0.4646 0.6061 1.2279 0.193 Uiso 1 1 calc R . .
H34B H 0.3809 0.6091 1.2668 0.193 Uiso 1 1 calc R . .
C35 C 0.3597(17) 0.6471(13) 1.1646(10) 0.161(4) Uani 1 1 d DU . .
H35A H 0.2961 0.6428 1.1612 0.193 Uiso 1 1 calc R . .
H35B H 0.3758 0.6982 1.1783 0.193 Uiso 1 1 calc R . .
C36 C 0.3872(15) 0.6304(16) 1.0942(9) 0.157(4) Uani 1 1 d DU . .
H36A H 0.3901 0.5765 1.0883 0.189 Uiso 1 1 calc R . .
H36B H 0.4459 0.6505 1.0928 0.189 Uiso 1 1 calc R . .
C37 C 0.3259(14) 0.6625(15) 1.0326(9) 0.151(4) Uani 1 1 d DU . .
H37A H 0.2687 0.6383 1.0282 0.181 Uiso 1 1 calc R . .
H37B H 0.3182 0.7160 1.0388 0.181 Uiso 1 1 calc R . .
C38 C 0.3717(13) 0.6464(14) 0.9684(9) 0.148(4) Uani 1 1 d DU . .
H38A H 0.3945 0.6930 0.9516 0.177 Uiso 1 1 calc R . .
H38B H 0.4217 0.6141 0.9837 0.177 Uiso 1 1 calc R . .
C39 C 0.3163(12) 0.6105(14) 0.9067(11) 0.142(4) Uani 1 1 d DU . .
H39A H 0.2743 0.6474 0.8850 0.170 Uiso 1 1 calc R . .
H39B H 0.2829 0.5709 0.9260 0.170 Uiso 1 1 calc R . .
C40 C 0.3615(14) 0.5783(10) 0.8481(11) 0.134(4) Uani 1 1 d DU . .
H40A H 0.4223 0.5952 0.8551 0.161 Uiso 1 1 calc R . .
H40B H 0.3341 0.5983 0.8019 0.161 Uiso 1 1 calc R . .
C41 C 0.3611(11) 0.4943(10) 0.8431(13) 0.127(4) Uani 1 1 d DU . .
H41A H 0.3944 0.4734 0.8867 0.153 Uiso 1 1 calc R . .
H41B H 0.3891 0.4787 0.8016 0.153 Uiso 1 1 calc R . .
C42 C 0.2680(13) 0.4651(12) 0.8352(13) 0.122(4) Uani 1 1 d DU . .
H42A H 0.2366 0.4834 0.7896 0.147 Uiso 1 1 calc R . .
H42B H 0.2388 0.4852 0.8744 0.147 Uiso 1 1 calc R . .
C43 C 0.3712(11) 0.3820(11) 0.9873(9) 0.065(5) Uani 1 1 d . . .
O1 O 0.4214(8) 0.4239(7) 1.0131(6) 0.075(3) Uani 1 1 d . . .
C44 C 0.3963(13) 0.2596(10) 0.9159(9) 0.067(5) Uani 1 1 d . . .
O2 O 0.4561(9) 0.2370(8) 0.8953(8) 0.096(4) Uani 1 1 d . . .
C45 C 0.2245(11) 0.2082(9) 0.9078(8) 0.061(4) Uani 1 1 d . . .
C46 C 0.1348(11) 0.2073(10) 0.8810(8) 0.066(5) Uani 1 1 d . . .
H46A H 0.1029 0.2515 0.8823 0.079 Uiso 1 1 calc R . .
C47 C 0.0918(12) 0.1449(12) 0.8531(9) 0.077(5) Uani 1 1 d . . .
H47A H 0.0319 0.1482 0.8359 0.093 Uiso 1 1 calc R . .
C48 C 0.1320(13) 0.0798(12) 0.8496(10) 0.083(6) Uani 1 1 d . . .
H48A H 0.1013 0.0374 0.8314 0.099 Uiso 1 1 calc R . .
C49 C 0.2201(13) 0.0771(10) 0.8735(10) 0.080(5) Uani 1 1 d . . .
H49A H 0.2507 0.0323 0.8711 0.095 Uiso 1 1 calc R . .
C50 C 0.2636(11) 0.1400(10) 0.9012(9) 0.066(5) Uani 1 1 d . . .
H50A H 0.3239 0.1361 0.9165 0.079 Uiso 1 1 calc R . .
C51 C 0.1902(10) 0.3602(9) 0.9899(8) 0.056(4) Uani 1 1 d . . .
C52 C 0.1159(11) 0.3270(10) 1.0096(8) 0.064(5) Uani 1 1 d . . .
H52A H 0.1081 0.2760 1.0006 0.077 Uiso 1 1 calc R . .
C53 C 0.0531(11) 0.3632(11) 1.0413(10) 0.079(5) Uani 1 1 d . . .
H53A H 0.0037 0.3376 1.0525 0.094 Uiso 1 1 calc R . .
C54 C 0.0631(13) 0.4373(11) 1.0565(10) 0.082(6) Uani 1 1 d . . .
H54A H 0.0221 0.4627 1.0803 0.098 Uiso 1 1 calc R . .
C55 C 0.1331(12) 0.4731(10) 1.0365(10) 0.080(5) Uani 1 1 d . . .
H55A H 0.1392 0.5244 1.0446 0.096 Uiso 1 1 calc R . .
C56 C 0.1953(12) 0.4357(10) 1.0047(9) 0.070(5) Uani 1 1 d . . .
H56A H 0.2434 0.4624 0.9923 0.083 Uiso 1 1 calc R . .


_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 C43 1.90(2) . ?
Os1 C44 1.92(2) . ?
Os1 C45 2.178(17) . ?
Os1 C51 2.190(15) . ?
Os1 P1 2.400(5) . ?
Os1 P2 2.403(5) . ?
P1 C29 1.79(2) . ?
P1 C1 1.83(2) . ?
P1 C15 1.84(2) . ?
P2 C28 1.816(19) . ?
P2 C42 1.85(2) . ?
P2 C14 1.85(2) . ?
C1 C2 1.522(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.535(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.518(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.504(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.528(9) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.534(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.493(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.525(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.521(9) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.516(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.511(9) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.536(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.538(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.519(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.534(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.517(10) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.500(10) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.528(10) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.531(10) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.486(10) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.522(10) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.516(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.510(10) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.507(10) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.535(10) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.537(10) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.518(10) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.537(10) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.519(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.502(10) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.526(10) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.533(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.484(10) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.523(10) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.518(10) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.506(10) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.509(10) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C41 1.536(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.537(10) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 O1 1.156(19) . ?
C44 O2 1.136(19) . ?
C45 C50 1.40(2) . ?
C45 C46 1.43(2) . ?
C46 C47 1.39(2) . ?
C46 H46A 0.9500 . ?
C47 C48 1.35(3) . ?
C47 H47A 0.9500 . ?
C48 C49 1.39(3) . ?
C48 H48A 0.9500 . ?
C49 C50 1.40(2) . ?
C49 H49A 0.9500 . ?
C50 H50A 0.9500 . ?
C51 C52 1.40(2) . ?
C51 C56 1.41(2) . ?
C52 C53 1.38(2) . ?
C52 H52A 0.9500 . ?
C53 C54 1.38(2) . ?
C53 H53A 0.9500 . ?
C54 C55 1.37(3) . ?
C54 H54A 0.9500 . ?
C55 C56 1.39(2) . ?
C55 H55A 0.9500 . ?
C56 H56A 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
C43 Os1 C44 88.3(7) . . ?
C43 Os1 C45 174.5(6) . . ?
C44 Os1 C45 87.0(7) . . ?
C43 Os1 C51 88.4(6) . . ?
C44 Os1 C51 176.6(7) . . ?
C45 Os1 C51 96.3(6) . . ?
C43 Os1 P1 88.4(5) . . ?
C44 Os1 P1 94.1(5) . . ?
C45 Os1 P1 89.2(4) . . ?
C51 Os1 P1 86.0(4) . . ?
C43 Os1 P2 93.4(5) . . ?
C44 Os1 P2 90.6(5) . . ?
C45 Os1 P2 89.4(4) . . ?
C51 Os1 P2 89.4(4) . . ?
P1 Os1 P2 175.05(17) . . ?
C29 P1 C1 103.0(11) . . ?
C29 P1 C15 99.1(11) . . ?
C1 P1 C15 102.4(10) . . ?
C29 P1 Os1 116.7(10) . . ?
C1 P1 Os1 112.9(9) . . ?
C15 P1 Os1 120.2(8) . . ?
C28 P2 C42 99.2(11) . . ?
C28 P2 C14 102.0(11) . . ?
C42 P2 C14 102.5(10) . . ?
C28 P2 Os1 120.1(8) . . ?
C42 P2 Os1 117.2(8) . . ?
C14 P2 Os1 113.2(10) . . ?
C2 C1 P1 114.7(13) . . ?
C2 C1 H1A 108.6 . . ?
P1 C1 H1A 108.6 . . ?
C2 C1 H1B 108.6 . . ?
P1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 C3 110.3(11) . . ?
C1 C2 H2A 109.6 . . ?
C3 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
C3 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C2 114.9(13) . . ?
C4 C3 H3A 108.5 . . ?
C2 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
C2 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C5 C4 C3 115.7(13) . . ?
C5 C4 H4A 108.4 . . ?
C3 C4 H4A 108.4 . . ?
C5 C4 H4B 108.4 . . ?
C3 C4 H4B 108.4 . . ?
H4A C4 H4B 107.4 . . ?
C4 C5 C6 111.4(12) . . ?
C4 C5 H5A 109.3 . . ?
C6 C5 H5A 109.3 . . ?
C4 C5 H5B 109.3 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 108.0 . . ?
C5 C6 C7 125.2(14) . . ?
C5 C6 H6A 106.0 . . ?
C7 C6 H6A 106.0 . . ?
C5 C6 H6B 106.0 . . ?
C7 C6 H6B 106.0 . . ?
H6A C6 H6B 106.3 . . ?
C8 C7 C6 110.8(14) . . ?
C8 C7 H7A 109.5 . . ?
C6 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
C7 C8 C9 110.9(13) . . ?
C7 C8 H8A 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 103.6(12) . . ?
C10 C9 H9A 111.0 . . ?
C8 C9 H9A 111.0 . . ?
C10 C9 H9B 111.0 . . ?
C8 C9 H9B 111.0 . . ?
H9A C9 H9B 109.0 . . ?
C11 C10 C9 113.1(12) . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 C10 116.8(13) . . ?
C12 C11 H11A 108.1 . . ?
C10 C11 H11A 108.1 . . ?
C12 C11 H11B 108.1 . . ?
C10 C11 H11B 108.1 . . ?
H11A C11 H11B 107.3 . . ?
C11 C12 C13 115.6(13) . . ?
C11 C12 H12A 108.4 . . ?
C13 C12 H12A 108.4 . . ?
C11 C12 H12B 108.4 . . ?
C13 C12 H12B 108.4 . . ?
H12A C12 H12B 107.4 . . ?
C12 C13 C14 110.3(11) . . ?
C12 C13 H13A 109.6 . . ?
C14 C13 H13A 109.6 . . ?
C12 C13 H13B 109.6 . . ?
C14 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C13 C14 P2 111.7(15) . . ?
C13 C14 H14A 109.3 . . ?
P2 C14 H14A 109.3 . . ?
C13 C14 H14B 109.3 . . ?
P2 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 P1 114.6(13) . . ?
C16 C15 H15A 108.6 . . ?
P1 C15 H15A 108.6 . . ?
C16 C15 H15B 108.6 . . ?
P1 C15 H15B 108.6 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 C17 110.8(12) . . ?
C15 C16 H16A 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C18 C17 C16 114.9(13) . . ?
C18 C17 H17A 108.5 . . ?
C16 C17 H17A 108.5 . . ?
C18 C17 H17B 108.5 . . ?
C16 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C17 115.9(13) . . ?
C19 C18 H18A 108.3 . . ?
C17 C18 H18A 108.3 . . ?
C19 C18 H18B 108.3 . . ?
C17 C18 H18B 108.3 . . ?
H18A C18 H18B 107.4 . . ?
C18 C19 C20 111.7(12) . . ?
C18 C19 H19A 109.3 . . ?
C20 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
C20 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
C19 C20 C21 126.2(15) . . ?
C19 C20 H20A 105.8 . . ?
C21 C20 H20A 105.8 . . ?
C19 C20 H20B 105.8 . . ?
C21 C20 H20B 105.8 . . ?
H20A C20 H20B 106.2 . . ?
C22 C21 C20 111.7(14) . . ?
C22 C21 H21A 109.3 . . ?
C20 C21 H21A 109.3 . . ?
C22 C21 H21B 109.3 . . ?
C20 C21 H21B 109.3 . . ?
H21A C21 H21B 107.9 . . ?
C21 C22 C23 112.1(13) . . ?
C21 C22 H22A 109.2 . . ?
C23 C22 H22A 109.2 . . ?
C21 C22 H22B 109.2 . . ?
C23 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 104.0(12) . . ?
C24 C23 H23A 111.0 . . ?
C22 C23 H23A 111.0 . . ?
C24 C23 H23B 111.0 . . ?
C22 C23 H23B 111.0 . . ?
H23A C23 H23B 109.0 . . ?
C25 C24 C23 115.3(13) . . ?
C25 C24 H24A 108.4 . . ?
C23 C24 H24A 108.4 . . ?
C25 C24 H24B 108.4 . . ?
C23 C24 H24B 108.4 . . ?
H24A C24 H24B 107.5 . . ?
C26 C25 C24 117.8(13) . . ?
C26 C25 H25A 107.9 . . ?
C24 C25 H25A 107.9 . . ?
C26 C25 H25B 107.9 . . ?
C24 C25 H25B 107.9 . . ?
H25A C25 H25B 107.2 . . ?
C25 C26 C27 116.6(13) . . ?
C25 C26 H26A 108.1 . . ?
C27 C26 H26A 108.1 . . ?
C25 C26 H26B 108.1 . . ?
C27 C26 H26B 108.1 . . ?
H26A C26 H26B 107.3 . . ?
C26 C27 C28 110.1(11) . . ?
C26 C27 H27A 109.6 . . ?
C28 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
C28 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
C27 C28 P2 117.7(14) . . ?
C27 C28 H28A 107.9 . . ?
P2 C28 H28A 107.9 . . ?
C27 C28 H28B 107.9 . . ?
P2 C28 H28B 107.9 . . ?
H28A C28 H28B 107.2 . . ?
C30 C29 P1 115.1(14) . . ?
C30 C29 H29A 108.5 . . ?
P1 C29 H29A 108.5 . . ?
C30 C29 H29B 108.5 . . ?
P1 C29 H29B 108.5 . . ?
H29A C29 H29B 107.5 . . ?
C29 C30 C31 110.4(12) . . ?
C29 C30 H30A 109.6 . . ?
C31 C30 H30A 109.6 . . ?
C29 C30 H30B 109.6 . . ?
C31 C30 H30B 109.6 . . ?
H30A C30 H30B 108.1 . . ?
C32 C31 C30 114.2(13) . . ?
C32 C31 H31A 108.7 . . ?
C30 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
C30 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C33 C32 C31 114.9(13) . . ?
C33 C32 H32A 108.6 . . ?
C31 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
C31 C32 H32B 108.6 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 C34 111.8(12) . . ?
C32 C33 H33A 109.3 . . ?
C34 C33 H33A 109.3 . . ?
C32 C33 H33B 109.3 . . ?
C34 C33 H33B 109.3 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 C35 126.0(14) . . ?
C33 C34 H34A 105.8 . . ?
C35 C34 H34A 105.8 . . ?
C33 C34 H34B 105.8 . . ?
C35 C34 H34B 105.8 . . ?
H34A C34 H34B 106.2 . . ?
C36 C35 C34 110.8(14) . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C35 C36 C37 112.2(13) . . ?
C35 C36 H36A 109.2 . . ?
C37 C36 H36A 109.2 . . ?
C35 C36 H36B 109.2 . . ?
C37 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C38 C37 C36 102.8(12) . . ?
C38 C37 H37A 111.2 . . ?
C36 C37 H37A 111.2 . . ?
C38 C37 H37B 111.2 . . ?
C36 C37 H37B 111.2 . . ?
H37A C37 H37B 109.1 . . ?
C39 C38 C37 114.9(13) . . ?
C39 C38 H38A 108.6 . . ?
C37 C38 H38A 108.6 . . ?
C39 C38 H38B 108.6 . . ?
C37 C38 H38B 108.6 . . ?
H38A C38 H38B 107.5 . . ?
C38 C39 C40 117.4(13) . . ?
C38 C39 H39A 107.9 . . ?
C40 C39 H39A 107.9 . . ?
C38 C39 H39B 107.9 . . ?
C40 C39 H39B 107.9 . . ?
H39A C39 H39B 107.2 . . ?
C39 C40 C41 115.7(13) . . ?
C39 C40 H40A 108.3 . . ?
C41 C40 H40A 108.3 . . ?
C39 C40 H40B 108.3 . . ?
C41 C40 H40B 108.3 . . ?
H40A C40 H40B 107.4 . . ?
C40 C41 C42 110.3(12) . . ?
C40 C41 H41A 109.6 . . ?
C42 C41 H41A 109.6 . . ?
C40 C41 H41B 109.6 . . ?
C42 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
C41 C42 P2 114.0(15) . . ?
C41 C42 H42A 108.8 . . ?
P2 C42 H42A 108.8 . . ?
C41 C42 H42B 108.8 . . ?
P2 C42 H42B 108.8 . . ?
H42A C42 H42B 107.6 . . ?
O1 C43 Os1 173.2(15) . . ?
O2 C44 Os1 176.3(16) . . ?
C50 C45 C46 112.2(15) . . ?
C50 C45 Os1 122.1(12) . . ?
C46 C45 Os1 125.6(12) . . ?
C47 C46 C45 123.3(16) . . ?
C47 C46 H46A 118.4 . . ?
C45 C46 H46A 118.4 . . ?
C48 C47 C46 122.2(17) . . ?
C48 C47 H47A 118.9 . . ?
C46 C47 H47A 118.9 . . ?
C47 C48 C49 117.6(18) . . ?
C47 C48 H48A 121.2 . . ?
C49 C48 H48A 121.2 . . ?
C48 C49 C50 120.2(17) . . ?
C48 C49 H49A 119.9 . . ?
C50 C49 H49A 119.9 . . ?
C45 C50 C49 124.5(16) . . ?
C45 C50 H50A 117.8 . . ?
C49 C50 H50A 117.8 . . ?
C52 C51 C56 113.4(15) . . ?
C52 C51 Os1 126.3(12) . . ?
C56 C51 Os1 120.1(13) . . ?
C53 C52 C51 124.6(16) . . ?
C53 C52 H52A 117.7 . . ?
C51 C52 H52A 117.7 . . ?
C52 C53 C54 119.3(18) . . ?
C52 C53 H53A 120.4 . . ?
C54 C53 H53A 120.4 . . ?
C55 C54 C53 118.7(17) . . ?
C55 C54 H54A 120.7 . . ?
C53 C54 H54A 120.7 . . ?
C54 C55 C56 121.1(17) . . ?
C54 C55 H55A 119.5 . . ?
C56 C55 H55A 119.5 . . ?
C55 C56 C51 122.9(17) . . ?
C55 C56 H56A 118.6 . . ?
C51 C56 H56A 118.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C43 Os1 P1 C29 63.3(10) . . . . ?
C44 Os1 P1 C29 151.5(10) . . . . ?
C45 Os1 P1 C29 -121.6(9) . . . . ?
C51 Os1 P1 C29 -25.2(9) . . . . ?
P2 Os1 P1 C29 -47(2) . . . . ?
C43 Os1 P1 C1 -55.8(9) . . . . ?
C44 Os1 P1 C1 32.3(9) . . . . ?
C45 Os1 P1 C1 119.3(8) . . . . ?
C51 Os1 P1 C1 -144.3(8) . . . . ?
P2 Os1 P1 C1 -167(2) . . . . ?
C43 Os1 P1 C15 -176.9(9) . . . . ?
C44 Os1 P1 C15 -88.7(9) . . . . ?
C45 Os1 P1 C15 -1.8(9) . . . . ?
C51 Os1 P1 C15 94.6(9) . . . . ?
P2 Os1 P1 C15 72(2) . . . . ?
C43 Os1 P2 C28 -145.6(9) . . . . ?
C44 Os1 P2 C28 126.1(10) . . . . ?
C45 Os1 P2 C28 39.1(9) . . . . ?
C51 Os1 P2 C28 -57.2(9) . . . . ?
P1 Os1 P2 C28 -35(2) . . . . ?
C43 Os1 P2 C42 -25.2(9) . . . . ?
C44 Os1 P2 C42 -113.5(9) . . . . ?
C45 Os1 P2 C42 159.5(9) . . . . ?
C51 Os1 P2 C42 63.2(9) . . . . ?
P1 Os1 P2 C42 85(2) . . . . ?
C43 Os1 P2 C14 93.8(10) . . . . ?
C44 Os1 P2 C14 5.5(10) . . . . ?
C45 Os1 P2 C14 -81.5(10) . . . . ?
C51 Os1 P2 C14 -177.8(10) . . . . ?
P1 Os1 P2 C14 -156(2) . . . . ?
C29 P1 C1 C2 152(2) . . . . ?
C15 P1 C1 C2 49(2) . . . . ?
Os1 P1 C1 C2 -81(2) . . . . ?
P1 C1 C2 C3 167.5(17) . . . . ?
C1 C2 C3 C4 161(2) . . . . ?
C2 C3 C4 C5 49(3) . . . . ?
C3 C4 C5 C6 74(3) . . . . ?
C4 C5 C6 C7 163(2) . . . . ?
C5 C6 C7 C8 91(3) . . . . ?
C6 C7 C8 C9 88(3) . . . . ?
C7 C8 C9 C10 -168(2) . . . . ?
C8 C9 C10 C11 168(2) . . . . ?
C9 C10 C11 C12 -172(2) . . . . ?
C10 C11 C12 C13 74(3) . . . . ?
C11 C12 C13 C14 78(3) . . . . ?
C12 C13 C14 P2 178.7(16) . . . . ?
C28 P2 C14 C13 -56(2) . . . . ?
C42 P2 C14 C13 -158(2) . . . . ?
Os1 P2 C14 C13 75(2) . . . . ?
C29 P1 C15 C16 60(2) . . . . ?
C1 P1 C15 C16 166.1(18) . . . . ?
Os1 P1 C15 C16 -68(2) . . . . ?
P1 C15 C16 C17 -178.9(17) . . . . ?
C15 C16 C17 C18 -159(2) . . . . ?
C16 C17 C18 C19 -52(3) . . . . ?
C17 C18 C19 C20 163.8(17) . . . . ?
C18 C19 C20 C21 -76(3) . . . . ?
C19 C20 C21 C22 -61(3) . . . . ?
C20 C21 C22 C23 175(2) . . . . ?
C21 C22 C23 C24 -174(2) . . . . ?
C22 C23 C24 C25 168(2) . . . . ?
C23 C24 C25 C26 -74(3) . . . . ?
C24 C25 C26 C27 -72(3) . . . . ?
C25 C26 C27 C28 168.4(18) . . . . ?
C26 C27 C28 P2 -165.7(17) . . . . ?
C42 P2 C28 C27 -62(2) . . . . ?
C14 P2 C28 C27 -166.8(19) . . . . ?
Os1 P2 C28 C27 67(2) . . . . ?
C1 P1 C29 C30 55(3) . . . . ?
C15 P1 C29 C30 160(2) . . . . ?
Os1 P1 C29 C30 -70(2) . . . . ?
P1 C29 C30 C31 177.3(19) . . . . ?
C29 C30 C31 C32 -150(2) . . . . ?
C30 C31 C32 C33 -51(3) . . . . ?
C31 C32 C33 C34 -179.5(18) . . . . ?
C32 C33 C34 C35 -65(3) . . . . ?
C33 C34 C35 C36 -57(3) . . . . ?
C34 C35 C36 C37 161(2) . . . . ?
C35 C36 C37 C38 174(2) . . . . ?
C36 C37 C38 C39 130(3) . . . . ?
C37 C38 C39 C40 -167(2) . . . . ?
C38 C39 C40 C41 110(2) . . . . ?
C39 C40 C41 C42 56(3) . . . . ?
C40 C41 C42 P2 -175.0(14) . . . . ?
C28 P2 C42 C41 -155.8(17) . . . . ?
C14 P2 C42 C41 -51(2) . . . . ?
Os1 P2 C42 C41 73.4(18) . . . . ?
C44 Os1 C43 O1 -46(12) . . . . ?
C45 Os1 C43 O1 -16(17) . . . . ?
C51 Os1 C43 O1 134(12) . . . . ?
P1 Os1 C43 O1 48(12) . . . . ?
P2 Os1 C43 O1 -137(12) . . . . ?
C43 Os1 C44 O2 -36(25) . . . . ?
C45 Os1 C44 O2 146(25) . . . . ?
C51 Os1 C44 O2 -33(32) . . . . ?
P1 Os1 C44 O2 -125(25) . . . . ?
P2 Os1 C44 O2 57(25) . . . . ?
C43 Os1 C45 C50 -3(7) . . . . ?
C44 Os1 C45 C50 26.7(13) . . . . ?
C51 Os1 C45 C50 -153.4(13) . . . . ?
P1 Os1 C45 C50 -67.4(13) . . . . ?
P2 Os1 C45 C50 117.3(13) . . . . ?
C43 Os1 C45 C46 -180(100) . . . . ?
C44 Os1 C45 C46 -149.7(14) . . . . ?
C51 Os1 C45 C46 30.2(14) . . . . ?
P1 Os1 C45 C46 116.2(13) . . . . ?
P2 Os1 C45 C46 -59.1(13) . . . . ?
C50 C45 C46 C47 1(2) . . . . ?
Os1 C45 C46 C47 178.0(13) . . . . ?
C45 C46 C47 C48 0(3) . . . . ?
C46 C47 C48 C49 -2(3) . . . . ?
C47 C48 C49 C50 1(3) . . . . ?
C46 C45 C50 C49 -2(2) . . . . ?
Os1 C45 C50 C49 -178.7(13) . . . . ?
C48 C49 C50 C45 1(3) . . . . ?
C43 Os1 C51 C52 -152.7(14) . . . . ?
C44 Os1 C51 C52 -156(10) . . . . ?
C45 Os1 C51 C52 24.5(14) . . . . ?
P1 Os1 C51 C52 -64.3(13) . . . . ?
P2 Os1 C51 C52 113.8(13) . . . . ?
C43 Os1 C51 C56 21.1(13) . . . . ?
C44 Os1 C51 C56 17(11) . . . . ?
C45 Os1 C51 C56 -161.6(12) . . . . ?
P1 Os1 C51 C56 109.6(12) . . . . ?
P2 Os1 C51 C56 -72.3(12) . . . . ?
C56 C51 C52 C53 -1(2) . . . . ?
Os1 C51 C52 C53 173.5(13) . . . . ?
C51 C52 C53 C54 -1(3) . . . . ?
C52 C53 C54 C55 3(3) . . . . ?
C53 C54 C55 C56 -3(3) . . . . ?
C54 C55 C56 C51 1(3) . . . . ?
C52 C51 C56 C55 1(2) . . . . ?
Os1 C51 C56 C55 -173.8(13) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        21.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.493
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.150

# start Validation Reply Form
_vrf_THETM01_I                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: No reflections were observed above 42 deg two-theta; 
appropriate OMIT instructions were used in least squres refinement.
;
_vrf_PLAT023_I                   
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..      21.00 Deg. 
RESPONSE: No reflections were observed above 42 deg two-theta; 
appropriate OMIT instructions were used in least squres refinement.
;
# end Validation Reply Form_exptl_crystal_recrystallization_method 
