#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:07:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178550 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/57/4065757.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4065757
loop_
_publ_author_name
'Huang, Jinbo'
'Lin, Ran'
'Wu, Liqiong'
'Zhao, Qianyi'
'Zhu, Congqing'
'Wen, Ting Bin'
'Xia, Haiping'
_publ_section_title
;
 Synthesis, Characterization, and Electrochemical Properties of
 Bisosmabenzenes Bridged by Diisocyanides
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2916
_journal_paper_doi               10.1021/om1001155
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C126 H100 Cl8 N2 Os2 P6,C2H4Cl4,H8O4'
_chemical_formula_sum            'C128 H112 Cl12 N2 O4 Os2 P6'
_chemical_formula_weight         2733.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.599(3)
_cell_angle_beta                 99.835(3)
_cell_angle_gamma                95.375(2)
_cell_formula_units_Z            1
_cell_length_a                   13.2136(4)
_cell_length_b                   13.7646(4)
_cell_length_c                   18.1729(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3134.35(18)
_computing_cell_refinement
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET) 
(compiled Apr 21 2008,18:23:10) 
;
_computing_data_collection
; 
CrysAlis CCD, Oxford Diffraction Ltd., 
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET) 
(compiled Apr 21 2008,18:23:10) 
;
_computing_data_reduction
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET) 
(compiled Apr 21 2008,18:23:10) 
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27768
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    2.409
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.24 (release 21-04-2008 CrysAlis171 .NET) 
(compiled Apr 21 2008,18:23:10) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1372
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.902
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         10764
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0573P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.0955
_reflns_number_gt                8964
_reflns_number_total             10764
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1001155_si_001.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'Constr' changed to 'constr'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3134.34(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065757
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.271466(15) 0.840817(15) 0.741323(11) 0.01570(7) Uani 1 1 d . . .
C1 C -0.2075(4) 0.7517(4) 0.8071(3) 0.0192(11) Uani 1 1 d . . .
H1A H -0.1647 0.7861 0.8540 0.023 Uiso 1 1 calc R . .
C01 C -0.3371(4) 0.9098(4) 0.6654(3) 0.0197(11) Uani 1 1 d . . .
C1S C 0.5104(6) 0.3144(7) 0.6458(4) 0.066(2) Uani 1 1 d . . .
H1SA H 0.4652 0.2893 0.6761 0.079 Uiso 1 1 calc R . .
H1SB H 0.5239 0.3873 0.6646 0.079 Uiso 1 1 calc R . .
C2 C -0.2189(4) 0.6476(4) 0.7918(3) 0.0204(11) Uani 1 1 d . . .
C02 C -0.4403(4) 0.9675(4) 0.5563(3) 0.0222(11) Uani 1 1 d . . .
C3 C -0.2763(4) 0.5821(4) 0.7212(3) 0.0239(11) Uani 1 1 d . . .
H3A H -0.2843 0.5129 0.7163 0.029 Uiso 1 1 calc R . .
C03 C -0.5448(4) 0.9649(5) 0.5543(3) 0.0317(13) Uani 1 1 d . . .
H03A H -0.5748 0.9413 0.5906 0.038 Uiso 1 1 calc R . .
C4 C -0.3201(4) 0.6169(4) 0.6605(3) 0.0217(11) Uani 1 1 d . . .
C04 C -0.3950(4) 1.0022(5) 0.5025(3) 0.0315(13) Uani 1 1 d . . .
H04A H -0.3241 1.0035 0.5045 0.038 Uiso 1 1 calc R . .
C5 C -0.3186(4) 0.7181(4) 0.6581(3) 0.0234(11) Uani 1 1 d . . .
H5A H -0.3437 0.7281 0.6099 0.028 Uiso 1 1 calc R . .
C111 C -0.4284(4) 0.8507(4) 0.8915(3) 0.0225(11) Uani 1 1 d . . .
C112 C -0.5203(5) 0.8654(5) 0.9182(3) 0.0371(14) Uani 1 1 d . . .
H11A H -0.5801 0.8688 0.8841 0.044 Uiso 1 1 calc R . .
C113 C -0.5221(6) 0.8750(6) 0.9960(4) 0.0505(19) Uani 1 1 d . . .
H11B H -0.5835 0.8838 1.0137 0.061 Uiso 1 1 calc R . .
C114 C -0.4331(5) 0.8714(6) 1.0467(4) 0.0470(17) Uani 1 1 d . . .
H11C H -0.4341 0.8786 1.0987 0.056 Uiso 1 1 calc R . .
C115 C -0.3431(5) 0.8572(6) 1.0206(3) 0.0482(18) Uani 1 1 d . . .
H11D H -0.2833 0.8543 1.0549 0.058 Uiso 1 1 calc R . .
C116 C -0.3402(5) 0.8470(5) 0.9432(3) 0.0345(14) Uani 1 1 d . . .
H11E H -0.2785 0.8376 0.9261 0.041 Uiso 1 1 calc R . .
C121 C -0.5117(4) 0.7139(4) 0.7423(3) 0.0217(11) Uani 1 1 d . . .
C122 C -0.5564(4) 0.6901(5) 0.6640(3) 0.0351(14) Uani 1 1 d . . .
H12A H -0.5469 0.7372 0.6357 0.042 Uiso 1 1 calc R . .
C123 C -0.6147(5) 0.5976(6) 0.6281(4) 0.0483(18) Uani 1 1 d . . .
H12B H -0.6460 0.5831 0.5762 0.058 Uiso 1 1 calc R . .
C124 C -0.6267(5) 0.5265(5) 0.6693(5) 0.0525(19) Uani 1 1 d . . .
H12C H -0.6649 0.4635 0.6449 0.063 Uiso 1 1 calc R . .
C125 C -0.5818(5) 0.5488(5) 0.7469(4) 0.0477(17) Uani 1 1 d . . .
H12D H -0.5899 0.5006 0.7745 0.057 Uiso 1 1 calc R . .
C126 C -0.5251(4) 0.6424(4) 0.7837(3) 0.0299(13) Uani 1 1 d . . .
H12E H -0.4960 0.6574 0.8361 0.036 Uiso 1 1 calc R . .
C131 C -0.5132(4) 0.9270(4) 0.7643(3) 0.0234(11) Uani 1 1 d . . .
C132 C -0.4700(4) 1.0246(4) 0.7701(3) 0.0261(12) Uani 1 1 d . . .
H13A H -0.3986 1.0433 0.7854 0.031 Uiso 1 1 calc R . .
C133 C -0.5335(5) 1.0948(5) 0.7531(3) 0.0359(14) Uani 1 1 d . . .
H13B H -0.5047 1.1603 0.7565 0.043 Uiso 1 1 calc R . .
C134 C -0.6417(5) 1.0660(6) 0.7309(4) 0.0465(17) Uani 1 1 d . . .
H13C H -0.6846 1.1124 0.7191 0.056 Uiso 1 1 calc R . .
C135 C -0.6828(5) 0.9712(6) 0.7267(4) 0.0490(18) Uani 1 1 d . . .
H13D H -0.7544 0.9532 0.7134 0.059 Uiso 1 1 calc R . .
C136 C -0.6208(4) 0.9004(5) 0.7417(4) 0.0375(15) Uani 1 1 d . . .
H13E H -0.6505 0.8347 0.7369 0.045 Uiso 1 1 calc R . .
C211 C 0.0046(4) 0.8527(5) 0.7558(4) 0.0400(16) Uani 1 1 d . . .
C212 C 0.0614(5) 0.7798(6) 0.7250(5) 0.0571(19) Uani 1 1 d U . .
H21A H 0.0428 0.7425 0.6737 0.068 Uiso 1 1 calc R . .
C213 C 0.1533(6) 0.7640(6) 0.7775(6) 0.071(2) Uani 1 1 d U . .
H21C H 0.1935 0.7151 0.7596 0.086 Uiso 1 1 calc R . .
C214 C 0.1784(7) 0.8185(8) 0.8489(5) 0.073(2) Uani 1 1 d U . .
H21D H 0.2367 0.8066 0.8804 0.087 Uiso 1 1 calc R . .
C215 C 0.1259(6) 0.8890(7) 0.8788(5) 0.065(2) Uani 1 1 d U . .
H21E H 0.1483 0.9276 0.9295 0.078 Uiso 1 1 calc R . .
C216 C 0.0367(5) 0.9049(7) 0.8335(4) 0.055(2) Uani 1 1 d . . .
H21F H -0.0030 0.9518 0.8555 0.066 Uiso 1 1 calc R . .
C221 C -0.0748(4) 1.0182(4) 0.7098(3) 0.0230(11) Uani 1 1 d . . .
C222 C -0.1429(4) 1.0886(4) 0.7146(3) 0.0262(12) Uani 1 1 d . . .
H22A H -0.2112 1.0694 0.7173 0.031 Uiso 1 1 calc R . .
C223 C -0.1103(5) 1.1874(4) 0.7155(3) 0.0341(14) Uani 1 1 d . . .
H22B H -0.1572 1.2338 0.7179 0.041 Uiso 1 1 calc R . .
C224 C -0.0089(5) 1.2175(5) 0.7129(3) 0.0397(15) Uani 1 1 d . . .
H22C H 0.0125 1.2842 0.7139 0.048 Uiso 1 1 calc R . .
C225 C 0.0601(5) 1.1497(5) 0.7087(4) 0.0406(15) Uani 1 1 d . . .
H22D H 0.1287 1.1703 0.7073 0.049 Uiso 1 1 calc R . .
C226 C 0.0283(4) 1.0499(5) 0.7067(3) 0.0337(14) Uani 1 1 d . . .
H22E H 0.0755 1.0038 0.7032 0.040 Uiso 1 1 calc R . .
C231 C -0.1216(4) 0.8250(5) 0.6001(4) 0.0361(14) Uani 1 1 d . . .
C232 C -0.1230(6) 0.8851(6) 0.5472(4) 0.0509(18) Uani 1 1 d . . .
H23A H -0.1104 0.9551 0.5647 0.061 Uiso 1 1 calc R . .
C233 C -0.1437(7) 0.8387(8) 0.4682(5) 0.073(2) Uani 1 1 d U . .
H23B H -0.1469 0.8782 0.4330 0.088 Uiso 1 1 calc R . .
C234 C -0.1588(7) 0.7377(8) 0.4424(6) 0.079(3) Uani 1 1 d U . .
H23C H -0.1716 0.7083 0.3895 0.095 Uiso 1 1 calc R . .
C235 C -0.1558(6) 0.6763(6) 0.4931(5) 0.064(2) Uani 1 1 d U . .
H23D H -0.1662 0.6064 0.4746 0.077 Uiso 1 1 calc R . .
C236 C -0.1367(5) 0.7216(5) 0.5733(4) 0.0480(17) Uani 1 1 d . . .
H23E H -0.1342 0.6815 0.6080 0.058 Uiso 1 1 calc R . .
C311 C -0.0328(4) 0.5490(5) 0.8187(4) 0.0342(14) Uani 1 1 d . . .
C312 C -0.0320(5) 0.5311(5) 0.7410(4) 0.0387(15) Uani 1 1 d . . .
H31A H -0.0890 0.5404 0.7069 0.046 Uiso 1 1 calc R . .
C313 C 0.0535(5) 0.5363(6) 0.8697(5) 0.0502(19) Uani 1 1 d . . .
H31B H 0.0543 0.5484 0.9224 0.060 Uiso 1 1 calc R . .
C314 C 0.1398(5) 0.5046(6) 0.8390(5) 0.059(2) Uani 1 1 d U . .
H31C H 0.1988 0.4962 0.8717 0.071 Uiso 1 1 calc R . .
C315 C 0.1367(6) 0.4862(6) 0.7614(5) 0.058(2) Uani 1 1 d U . .
H31D H 0.1935 0.4643 0.7418 0.070 Uiso 1 1 calc R . .
C316 C 0.0547(5) 0.4990(6) 0.7137(5) 0.0521(19) Uani 1 1 d . . .
H31E H 0.0549 0.4865 0.6612 0.063 Uiso 1 1 calc R . .
C321 C -0.1056(4) 0.6670(4) 0.9504(3) 0.0278(12) Uani 1 1 d . . .
C322 C -0.0243(5) 0.7441(5) 0.9648(4) 0.0380(15) Uani 1 1 d . . .
H32A H 0.0101 0.7507 0.9253 0.046 Uiso 1 1 calc R . .
C323 C 0.0066(6) 0.8106(5) 1.0355(4) 0.0516(19) Uani 1 1 d . . .
H32B H 0.0609 0.8627 1.0443 0.062 Uiso 1 1 calc R . .
C324 C -0.0434(6) 0.7993(5) 1.0930(4) 0.0517(19) Uani 1 1 d . . .
H32C H -0.0223 0.8440 1.1416 0.062 Uiso 1 1 calc R . .
C325 C -0.1243(5) 0.7235(5) 1.0813(3) 0.0424(16) Uani 1 1 d . . .
H32D H -0.1571 0.7175 1.1217 0.051 Uiso 1 1 calc R . .
C326 C -0.1570(5) 0.6561(5) 1.0096(3) 0.0344(14) Uani 1 1 d . . .
H32E H -0.2120 0.6047 1.0010 0.041 Uiso 1 1 calc R . .
C331 C -0.2233(4) 0.4723(4) 0.8607(3) 0.0232(11) Uani 1 1 d . . .
C332 C -0.1773(4) 0.3887(5) 0.8706(4) 0.0345(14) Uani 1 1 d . . .
H33A H -0.1070 0.3881 0.8707 0.041 Uiso 1 1 calc R . .
C333 C -0.2363(5) 0.3065(5) 0.8803(4) 0.0434(16) Uani 1 1 d . . .
H33B H -0.2054 0.2507 0.8879 0.052 Uiso 1 1 calc R . .
C334 C -0.3410(5) 0.3067(5) 0.8788(4) 0.0427(16) Uani 1 1 d . . .
H33C H -0.3805 0.2505 0.8848 0.051 Uiso 1 1 calc R . .
C335 C -0.3874(5) 0.3889(5) 0.8685(4) 0.0406(15) Uani 1 1 d . . .
H33D H -0.4581 0.3882 0.8673 0.049 Uiso 1 1 calc R . .
C336 C -0.3291(4) 0.4725(5) 0.8601(3) 0.0313(13) Uani 1 1 d . . .
H33E H -0.3602 0.5288 0.8539 0.038 Uiso 1 1 calc R . .
P2 P -0.43060(10) 0.83442(10) 0.78818(7) 0.0180(3) Uani 1 1 d . . .
P1 P -0.11260(10) 0.88455(11) 0.70274(8) 0.0230(3) Uani 1 1 d . . .
P3 P -0.14658(10) 0.58490(10) 0.85539(8) 0.0221(3) Uani 1 1 d . . .
Cl2 Cl -0.37989(12) 0.52501(11) 0.57506(8) 0.0380(3) Uani 1 1 d . . .
Cl1S Cl 0.62682(17) 0.2658(2) 0.65969(13) 0.0765(7) Uani 1 1 d . . .
Cl1 Cl -0.21066(10) 0.99059(10) 0.85482(7) 0.0277(3) Uani 1 1 d . . .
Cl2S Cl 0.4476(2) 0.2828(2) 0.55026(14) 0.0940(8) Uani 1 1 d . . .
N1 N -0.3797(3) 0.9344(4) 0.6130(2) 0.0263(10) Uani 1 1 d . . .
O1 O 0.1193(5) 0.6004(7) 0.4892(5) 0.116(3) Uani 1 1 d . . .
O2 O 0.1813(7) 0.8114(8) 0.5377(5) 0.149(3) Uani 1 1 d U . .
H21W H 0.1474 0.8587 0.5298 0.179 Uiso 1 1 d R . .
H22W H 0.2064 0.7656 0.5090 0.179 Uiso 1 1 d R . .
H11W H 0.1365 0.5428 0.4717 0.179 Uiso 1 1 d R . .
H12W H 0.1255 0.6182 0.5380 0.179 Uiso 1 1 d R . .
Cl3 Cl -0.68241(13) 1.31292(12) 0.76926(12) 0.0529(4) Uani 1 1 d . . .
Cl4 Cl -0.3611(4) 0.5537(5) 1.0657(3) 0.092(2) Uani 0.488(6) 1 d P A 1
Cl5 Cl -0.4957(5) 0.6145(5) 0.9610(3) 0.100(2) Uani 0.512(6) 1 d P A 2
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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_3
C5 Os1 C01 84.7(2) .
C5 Os1 C1 87.3(2) .
C01 Os1 C1 172.0(2) .
C5 Os1 P1 96.07(15) .
C01 Os1 P1 86.08(14) .
C1 Os1 P1 93.61(13) .
C5 Os1 P2 93.82(15) .
C01 Os1 P2 88.11(14) .
C1 Os1 P2 93.60(13) .
P1 Os1 P2 168.00(4) .
C5 Os1 Cl1 175.87(15) .
C01 Os1 Cl1 99.11(15) .
C1 Os1 Cl1 88.89(15) .
P1 Os1 Cl1 85.83(5) .
P2 Os1 Cl1 84.73(4) .
C2 C1 Os1 129.2(4) .
N1 C01 Os1 168.7(5) .
Cl2S C1S Cl1S 112.9(5) .
C1 C2 C3 123.6(4) .
C1 C2 P3 121.3(4) .
C3 C2 P3 114.6(4) .
C03 C02 C04 121.0(5) .
C03 C02 N1 119.2(5) .
C04 C02 N1 119.8(5) .
C4 C3 C2 122.6(5) .
C02 C03 C04 119.0(5) 2_476
C3 C4 C5 126.7(5) .
C3 C4 Cl2 116.5(4) .
C5 C4 Cl2 116.7(4) .
C02 C04 C03 120.0(5) 2_476
C4 C5 Os1 129.4(4) .
C116 C111 C112 119.1(5) .
C116 C111 P2 122.5(4) .
C112 C111 P2 118.4(4) .
C113 C112 C111 119.9(6) .
C114 C113 C112 120.0(6) .
C115 C114 C113 120.1(6) .
C114 C115 C116 120.6(6) .
C111 C116 C115 120.4(5) .
C126 C121 C122 119.2(6) .
C126 C121 P2 120.5(4) .
C122 C121 P2 120.2(4) .
C123 C122 C121 120.6(6) .
C122 C123 C124 119.9(6) .
C123 C124 C125 120.0(7) .
C124 C125 C126 120.4(6) .
C125 C126 C121 119.8(6) .
C132 C131 C136 119.2(5) .
C132 C131 P2 120.3(4) .
C136 C131 P2 120.5(4) .
C131 C132 C133 119.9(5) .
C132 C133 C134 119.7(6) .
C135 C134 C133 119.7(6) .
C134 C135 C136 121.2(6) .
C135 C136 C131 120.2(6) .
C212 C211 C216 118.4(6) .
C212 C211 P1 124.6(6) .
C216 C211 P1 117.0(5) .
C211 C212 C213 116.6(8) .
C214 C213 C212 120.4(8) .
C213 C214 C215 123.7(9) .
C214 C215 C216 118.8(9) .
C215 C216 C211 122.0(8) .
C222 C221 C226 118.2(5) .
C222 C221 P1 123.7(4) .
C226 C221 P1 118.1(4) .
C221 C222 C223 120.6(5) .
C224 C223 C222 120.5(6) .
C225 C224 C223 120.1(6) .
C224 C225 C226 120.1(6) .
C225 C226 C221 120.4(6) .
C236 C231 C232 119.5(6) .
C236 C231 P1 120.5(5) .
C232 C231 P1 119.8(5) .
C233 C232 C231 119.4(8) .
C234 C233 C232 120.8(9) .
C233 C234 C235 121.3(9) .
C234 C235 C236 118.9(8) .
C231 C236 C235 120.1(7) .
C312 C311 C313 120.0(6) .
C312 C311 P3 120.8(4) .
C313 C311 P3 119.2(5) .
C311 C312 C316 119.7(6) .
C311 C313 C314 118.0(7) .
C315 C314 C313 120.1(7) .
C316 C315 C314 121.3(7) .
C315 C316 C312 120.9(7) .
C322 C321 C326 119.6(6) .
C322 C321 P3 119.7(4) .
C326 C321 P3 120.7(4) .
C323 C322 C321 121.5(6) .
C324 C323 C322 118.6(6) .
C323 C324 C325 121.7(6) .
C324 C325 C326 120.2(6) .
C325 C326 C321 118.3(6) .
C332 C331 C336 119.9(5) .
C332 C331 P3 120.8(4) .
C336 C331 P3 119.1(4) .
C333 C332 C331 119.6(5) .
C332 C333 C334 120.2(6) .
C335 C334 C333 120.6(6) .
C334 C335 C336 120.0(6) .
C335 C336 C331 119.7(5) .
C121 P2 C111 104.2(2) .
C121 P2 C131 103.5(2) .
C111 P2 C131 102.6(2) .
C121 P2 Os1 110.41(16) .
C111 P2 Os1 120.38(17) .
C131 P2 Os1 114.02(16) .
C211 P1 C221 101.7(3) .
C211 P1 C231 107.5(3) .
C221 P1 C231 103.0(3) .
C211 P1 Os1 116.33(19) .
C221 P1 Os1 116.83(17) .
C231 P1 Os1 110.25(19) .
C321 P3 C2 110.6(3) .
C321 P3 C331 109.1(2) .
C2 P3 C331 111.0(2) .
C321 P3 C311 108.6(3) .
C2 P3 C311 109.2(2) .
C331 P3 C311 108.3(3) .
C01 N1 C02 172.5(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 C5 1.952(5) .
Os1 C01 1.979(5) .
Os1 C1 2.046(5) .
Os1 P1 2.3927(13) .
Os1 P2 2.4013(12) .
Os1 Cl1 2.5048(13) .
C1 C2 1.383(7) .
C01 N1 1.159(6) .
C1S Cl2S 1.726(8) .
C1S Cl1S 1.737(8) .
C2 C3 1.424(7) .
C2 P3 1.800(5) .
C02 C03 1.373(7) .
C02 C04 1.380(7) .
C02 N1 1.386(6) .
C3 C4 1.366(7) .
C03 C04 1.381(7) 2_476
C4 C5 1.401(8) .
C4 Cl2 1.763(5) .
C04 C03 1.381(7) 2_476
C111 C116 1.380(8) .
C111 C112 1.397(8) .
C111 P2 1.833(5) .
C112 C113 1.393(8) .
C113 C114 1.378(9) .
C114 C115 1.368(9) .
C115 C116 1.386(8) .
C121 C126 1.389(7) .
C121 C122 1.392(8) .
C121 P2 1.819(5) .
C122 C123 1.376(9) .
C123 C124 1.379(10) .
C124 C125 1.381(10) .
C125 C126 1.383(9) .
C131 C132 1.381(8) .
C131 C136 1.399(8) .
C131 P2 1.833(5) .
C132 C133 1.392(8) .
C133 C134 1.409(9) .
C134 C135 1.345(10) .
C135 C136 1.376(8) .
C211 C212 1.381(9) .
C211 C216 1.397(11) .
C211 P1 1.826(6) .
C212 C213 1.477(11) .
C213 C214 1.305(13) .
C214 C215 1.313(11) .
C215 C216 1.384(10) .
C221 C222 1.381(7) .
C221 C226 1.406(8) .
C221 P1 1.828(5) .
C222 C223 1.383(8) .
C223 C224 1.378(8) .
C224 C225 1.364(9) .
C225 C226 1.388(9) .
C231 C236 1.375(9) .
C231 C232 1.408(9) .
C231 P1 1.830(6) .
C232 C233 1.394(11) .
C233 C234 1.343(13) .
C234 C235 1.388(12) .
C235 C236 1.412(10) .
C311 C312 1.378(8) .
C311 C313 1.393(8) .
C311 P3 1.811(6) .
C312 C316 1.392(8) .
C313 C314 1.413(10) .
C314 C315 1.366(11) .
C315 C316 1.320(10) .
C321 C322 1.381(8) .
C321 C326 1.396(8) .
C321 P3 1.789(6) .
C322 C323 1.362(9) .
C323 C324 1.359(10) .
C324 C325 1.373(10) .
C325 C326 1.382(9) .
C331 C332 1.384(8) .
C331 C336 1.397(7) .
C331 P3 1.802(5) .
C332 C333 1.376(8) .
C333 C334 1.380(9) .
C334 C335 1.371(9) .
C335 C336 1.378(8) .
