#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:51:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179211 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/41/4314103.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_4314103
loop_
_publ_author_name
'Parna Gupta'
'Ray J. Butcher'
'Samaresh Bhattacharya'
_publ_section_title
;
 Chemically Induced Cyclometalation of 2-(Arylazo)phenols. Synthesis,
 Characterization, and Redox Properties of a Family of Organoosmium
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5405
_journal_page_last               5411
_journal_paper_doi               10.1021/ic0343713
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C50 H40 N2 O2 Os P2'
_chemical_formula_weight         952.98
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.136(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.262(3)
_cell_length_b                   19.353(5)
_cell_length_c                   18.410(4)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      12.44
_cell_measurement_theta_min      2.70
_cell_volume                     4151.8(18)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2θ/ω 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  0.0306
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9593
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.41
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.191
_exptl_absorpt_correction_T_max  0.8661
_exptl_absorpt_correction_T_min  0.5627
_exptl_absorpt_correction_type   Shelxa
_exptl_crystal_colour            dichroic_yellow-gr
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.73
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       0.00037(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         9162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.091
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0337P)²+0.8609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0829
_reflns_number_gt                6923
_reflns_number_total             9162
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0343713si20030407_085524.cif
_cod_data_source_block           sb-s1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4151.9(16)
_cod_database_code               4314103
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'
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
Os Os 0.344863(14) 0.703930(8) 0.782557(9) 0.03122(7) Uani 1 1 d . . .
P1 P 0.14258(10) 0.71726(6) 0.74092(7) 0.0360(3) Uani 1 1 d . . .
P2 P 0.54749(9) 0.70194(6) 0.82131(6) 0.0338(2) Uani 1 1 d . . .
O O 0.3539(3) 0.84747(17) 0.8465(2) 0.0619(10) Uani 1 1 d . . .
O1 O 0.3385(3) 0.71387(14) 0.66303(17) 0.0419(7) Uani 1 1 d . . .
N1 N 0.3414(3) 0.60256(17) 0.7488(2) 0.0353(8) Uani 1 1 d . . .
N2 N 0.3405(3) 0.55186(18) 0.7934(2) 0.0390(9) Uani 1 1 d . . .
C C 0.3514(4) 0.7933(2) 0.8213(3) 0.0404(10) Uani 1 1 d . . .
C1 C 0.3417(4) 0.6522(2) 0.6326(2) 0.0378(10) Uani 1 1 d . . .
C2 C 0.3427(4) 0.6440(3) 0.5571(3) 0.0478(12) Uani 1 1 d . . .
H2A H 0.3371 0.6827 0.5262 0.074(18) Uiso 1 1 calc R . .
C3 C 0.3518(4) 0.5799(3) 0.5281(3) 0.0509(12) Uani 1 1 d . . .
H3A H 0.3525 0.5764 0.4779 0.054(14) Uiso 1 1 calc R . .
C4 C 0.3602(4) 0.5194(3) 0.5711(3) 0.0480(12) Uani 1 1 d . . .
C5 C 0.3791(6) 0.4502(3) 0.5393(4) 0.0678(16) Uani 1 1 d . . .
H5A H 0.3680 0.4141 0.5720 0.10(2) Uiso 1 1 calc R . .
H5B H 0.4559 0.4479 0.5365 0.16(4) Uiso 1 1 calc R . .
H5C H 0.3254 0.4445 0.4890 0.14(3) Uiso 1 1 calc R . .
C6 C 0.3560(4) 0.5259(2) 0.6442(3) 0.0434(11) Uani 1 1 d . . .
H6A H 0.3607 0.4867 0.6743 0.053(14) Uiso 1 1 calc R . .
C7 C 0.3446(4) 0.5913(2) 0.6742(2) 0.0366(10) Uani 1 1 d . . .
C8 C 0.3415(4) 0.5774(2) 0.8653(2) 0.0382(10) Uani 1 1 d . . .
C9 C 0.3415(5) 0.5286(3) 0.9216(3) 0.0546(13) Uani 1 1 d . . .
H9A H 0.3391 0.4816 0.9108 0.050(14) Uiso 1 1 calc R . .
C10 C 0.3452(5) 0.5516(3) 0.9929(3) 0.0673(16) Uani 1 1 d . . .
H10A H 0.3437 0.5201 1.0307 0.065(16) Uiso 1 1 calc R . .
C11 C 0.3510(5) 0.6214(3) 1.0081(3) 0.0579(14) Uani 1 1 d . . .
H11A H 0.3549 0.6368 1.0567 0.063(16) Uiso 1 1 calc R . .
C12 C 0.3513(4) 0.6689(3) 0.9522(3) 0.0470(12) Uani 1 1 d . . .
H12A H 0.3556 0.7156 0.9646 0.035(12) Uiso 1 1 calc R . .
C13 C 0.3454(4) 0.6501(2) 0.8780(2) 0.0358(9) Uani 1 1 d . . .
C111 C 0.0587(4) 0.6579(2) 0.6667(3) 0.0411(10) Uani 1 1 d . . .
C112 C -0.0192(5) 0.6809(3) 0.6008(3) 0.0570(14) Uani 1 1 d . . .
H11B H -0.0308 0.7282 0.5927 0.049(14) Uiso 1 1 calc R . .
C113 C -0.0814(6) 0.6347(4) 0.5456(3) 0.0774(19) Uani 1 1 d . . .
H11C H -0.1346 0.6509 0.5010 0.11(3) Uiso 1 1 calc R . .
C114 C -0.0641(6) 0.5659(4) 0.5572(4) 0.0778(19) Uani 1 1 d . . .
H11D H -0.1051 0.5349 0.5201 0.11(3) Uiso 1 1 calc R . .
C115 C 0.0130(5) 0.5414(3) 0.6229(4) 0.080(2) Uani 1 1 d . . .
H11E H 0.0241 0.4941 0.6306 0.11(2) Uiso 1 1 calc R . .
C116 C 0.0742(5) 0.5875(3) 0.6775(4) 0.0617(15) Uani 1 1 d . . .
H11F H 0.1266 0.5709 0.7223 0.09(2) Uiso 1 1 calc R . .
C121 C 0.0762(4) 0.7101(2) 0.8167(3) 0.0439(11) Uani 1 1 d . . .
C122 C 0.1141(5) 0.7526(3) 0.8799(3) 0.0598(14) Uani 1 1 d . . .
H12B H 0.1699 0.7857 0.8820 0.076(19) Uiso 1 1 calc R . .
C123 C 0.0703(5) 0.7463(4) 0.9398(3) 0.078(2) Uani 1 1 d . . .
H12C H 0.0958 0.7755 0.9818 0.10(2) Uiso 1 1 calc R . .
C124 C -0.0107(5) 0.6971(4) 0.9377(4) 0.077(2) Uani 1 1 d . . .
H12D H -0.0388 0.6923 0.9789 0.077(19) Uiso 1 1 calc R . .
C125 C -0.0506(6) 0.6551(4) 0.8754(4) 0.0749(18) Uani 1 1 d . . .
H12E H -0.1067 0.6223 0.8739 0.11(3) Uiso 1 1 calc R . .
C126 C -0.0076(5) 0.6614(3) 0.8150(3) 0.0556(13) Uani 1 1 d . . .
H12F H -0.0350 0.6327 0.7726 0.045(14) Uiso 1 1 calc R . .
C131 C 0.1009(4) 0.8039(2) 0.7002(3) 0.0413(10) Uani 1 1 d . . .
C132 C 0.0221(5) 0.8443(3) 0.7211(3) 0.0548(13) Uani 1 1 d . . .
H13A H -0.0139 0.8273 0.7550 0.062(16) Uiso 1 1 calc R . .
C133 C -0.0026(5) 0.9100(3) 0.6911(4) 0.0708(17) Uani 1 1 d . . .
H13B H -0.0537 0.9376 0.7062 0.09(2) Uiso 1 1 calc R . .
C134 C 0.0475(5) 0.9349(3) 0.6394(4) 0.0680(17) Uani 1 1 d . . .
H13C H 0.0307 0.9791 0.6194 0.09(2) Uiso 1 1 calc R . .
C135 C 0.1226(5) 0.8937(3) 0.6175(3) 0.0620(14) Uani 1 1 d . . .
H13D H 0.1552 0.9098 0.5813 0.079(19) Uiso 1 1 calc R . .
C136 C 0.1505(4) 0.8291(3) 0.6483(3) 0.0488(12) Uani 1 1 d . . .
H13E H 0.2032 0.8023 0.6339 0.053(15) Uiso 1 1 calc R . .
C211 C 0.6114(4) 0.6296(2) 0.7846(3) 0.0404(10) Uani 1 1 d . . .
C212 C 0.6609(4) 0.6390(3) 0.7282(3) 0.0519(13) Uani 1 1 d . . .
H21A H 0.6663 0.6833 0.7100 0.057(16) Uiso 1 1 calc R . .
C213 C 0.7031(6) 0.5834(3) 0.6977(4) 0.0707(17) Uani 1 1 d . . .
H21B H 0.7387 0.5907 0.6605 0.064(17) Uiso 1 1 calc R . .
C214 C 0.6920(6) 0.5174(3) 0.7226(4) 0.0743(19) Uani 1 1 d . . .
H21C H 0.7190 0.4799 0.7016 0.10(2) Uiso 1 1 calc R . .
C215 C 0.6418(5) 0.5071(3) 0.7777(4) 0.0745(19) Uani 1 1 d . . .
H21D H 0.6351 0.4624 0.7945 0.08(2) Uiso 1 1 calc R . .
C216 C 0.6006(4) 0.5621(2) 0.8094(3) 0.0533(13) Uani 1 1 d . . .
H21E H 0.5658 0.5544 0.8469 0.055(16) Uiso 1 1 calc R . .
C221 C 0.6168(4) 0.7020(2) 0.9246(2) 0.0413(10) Uani 1 1 d . . .
C222 C 0.7001(5) 0.6555(3) 0.9634(3) 0.0594(14) Uani 1 1 d . . .
H22A H 0.7222 0.6199 0.9371 0.027(11) Uiso 1 1 calc R . .
C223 C 0.7506(5) 0.6620(4) 1.0418(3) 0.0734(18) Uani 1 1 d . . .
H22B H 0.8049 0.6297 1.0678 0.059(16) Uiso 1 1 calc R . .
C224 C 0.7223(5) 0.7146(4) 1.0811(3) 0.0750(19) Uani 1 1 d . . .
H22C H 0.7583 0.7187 1.1335 0.11(3) Uiso 1 1 calc R . .
C225 C 0.6413(5) 0.7613(4) 1.0442(3) 0.0712(17) Uani 1 1 d . . .
H22D H 0.6206 0.7968 1.0713 0.08(2) Uiso 1 1 calc R . .
C226 C 0.5896(5) 0.7557(3) 0.9659(3) 0.0555(13) Uani 1 1 d . . .
H22E H 0.5359 0.7885 0.9406 0.09(2) Uiso 1 1 calc R . .
C231 C 0.6145(4) 0.7773(2) 0.7924(3) 0.0367(10) Uani 1 1 d . . .
C232 C 0.7271(4) 0.7939(2) 0.8311(3) 0.0454(11) Uani 1 1 d . . .
H23A H 0.7683 0.7675 0.8729 0.057(15) Uiso 1 1 calc R . .
C233 C 0.7788(4) 0.8493(2) 0.8082(3) 0.0499(12) Uani 1 1 d . . .
H23B H 0.8550 0.8598 0.8340 0.068(17) Uiso 1 1 calc R . .
C234 C 0.7186(5) 0.8884(3) 0.7480(3) 0.0545(13) Uani 1 1 d . . .
H23C H 0.7535 0.9261 0.7330 0.10(2) Uiso 1 1 calc R . .
C235 C 0.6076(5) 0.8728(3) 0.7093(3) 0.0561(13) Uani 1 1 d . . .
H23D H 0.5673 0.8999 0.6679 0.082(19) Uiso 1 1 calc R . .
C236 C 0.5538(4) 0.8169(2) 0.7307(3) 0.0464(12) Uani 1 1 d . . .
H23F H 0.4779 0.8062 0.7039 0.053(15) Uiso 1 1 calc R . .
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'
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C Os C13 98.97(18) . . ?
C Os N1 175.37(16) . . ?
C13 Os N1 76.55(16) . . ?
C Os O1 106.72(16) . . ?
C13 Os O1 154.30(14) . . ?
N1 Os O1 77.79(13) . . ?
C Os P2 89.07(14) . . ?
C13 Os P2 90.60(12) . . ?
N1 Os P2 89.81(10) . . ?
O1 Os P2 90.59(9) . . ?
C Os P1 86.49(14) . . ?
C13 Os P1 93.24(12) . . ?
N1 Os P1 94.87(10) . . ?
O1 Os P1 87.64(9) . . ?
P2 Os P1 174.53(4) . . ?
C121 P1 C111 104.0(2) . . ?
C121 P1 C131 104.2(2) . . ?
C111 P1 C131 104.3(2) . . ?
C121 P1 Os 114.51(15) . . ?
C111 P1 Os 117.36(15) . . ?
C131 P1 Os 111.14(15) . . ?
C221 P2 C211 105.7(2) . . ?
C221 P2 C231 101.4(2) . . ?
C211 P2 C231 102.7(2) . . ?
C221 P2 Os 114.80(15) . . ?
C211 P2 Os 115.55(15) . . ?
C231 P2 Os 115.07(14) . . ?
C1 O1 Os 110.5(2) . . ?
N2 N1 C7 121.1(4) . . ?
N2 N1 Os 122.7(3) . . ?
C7 N1 Os 116.1(3) . . ?
N1 N2 C8 109.5(3) . . ?
O C Os 178.0(4) . . ?
O1 C1 C7 121.7(4) . . ?
O1 C1 C2 122.2(4) . . ?
C7 C1 C2 116.1(4) . . ?
C3 C2 C1 121.1(4) . . ?
C2 C3 C4 122.6(4) . . ?
C6 C4 C3 117.4(4) . . ?
C6 C4 C5 121.4(5) . . ?
C3 C4 C5 121.1(5) . . ?
C4 C6 C7 120.6(4) . . ?
C1 C7 N1 113.6(4) . . ?
C1 C7 C6 122.1(4) . . ?
N1 C7 C6 124.2(4) . . ?
C9 C8 N2 117.0(4) . . ?
C9 C8 C13 123.5(4) . . ?
N2 C8 C13 119.4(4) . . ?
C10 C9 C8 118.7(5) . . ?
C9 C10 C11 119.8(5) . . ?
C10 C11 C12 120.9(5) . . ?
C11 C12 C13 123.0(5) . . ?
C12 C13 C8 114.1(4) . . ?
C12 C13 Os 134.1(3) . . ?
C8 C13 Os 111.8(3) . . ?
C112 C111 C116 118.5(5) . . ?
C112 C111 P1 122.1(4) . . ?
C116 C111 P1 119.4(4) . . ?
C111 C112 C113 120.8(6) . . ?
C114 C113 C112 119.6(6) . . ?
C113 C114 C115 120.7(6) . . ?
C114 C115 C116 119.4(6) . . ?
C115 C116 C111 120.9(6) . . ?
C122 C121 C126 118.4(5) . . ?
C122 C121 P1 119.1(4) . . ?
C126 C121 P1 122.5(4) . . ?
C123 C122 C121 120.7(6) . . ?
C124 C123 C122 120.0(6) . . ?
C125 C124 C123 120.4(6) . . ?
C124 C125 C126 119.9(6) . . ?
C125 C126 C121 120.5(6) . . ?
C136 C131 C132 119.3(5) . . ?
C136 C131 P1 118.7(4) . . ?
C132 C131 P1 122.0(4) . . ?
C133 C132 C131 119.6(6) . . ?
C134 C133 C132 120.7(6) . . ?
C135 C134 C133 119.2(5) . . ?
C134 C135 C136 120.8(6) . . ?
C135 C136 C131 120.4(5) . . ?
C212 C211 C216 118.6(5) . . ?
C212 C211 P2 121.3(4) . . ?
C216 C211 P2 119.8(4) . . ?
C211 C212 C213 121.0(5) . . ?
C214 C213 C212 119.7(6) . . ?
C215 C214 C213 120.0(6) . . ?
C214 C215 C216 120.9(6) . . ?
C215 C216 C211 119.8(6) . . ?
C222 C221 C226 118.0(5) . . ?
C222 C221 P2 124.6(4) . . ?
C226 C221 P2 117.2(4) . . ?
C221 C222 C223 119.8(6) . . ?
C224 C223 C222 121.2(6) . . ?
C223 C224 C225 120.1(6) . . ?
C224 C225 C226 119.6(6) . . ?
C225 C226 C221 121.2(6) . . ?
C232 C231 C236 119.6(4) . . ?
C232 C231 P2 120.1(3) . . ?
C236 C231 P2 120.3(4) . . ?
C233 C232 C231 120.3(4) . . ?
C234 C233 C232 120.0(5) . . ?
C233 C234 C235 120.4(5) . . ?
C234 C235 C236 120.8(5) . . ?
C231 C236 C235 118.9(5) . . ?
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
Os C 1.863(4) . ?
Os C13 2.042(4) . ?
Os N1 2.054(3) . ?
Os O1 2.186(3) . ?
Os P2 2.3623(12) . ?
Os P1 2.3714(13) . ?
P1 C121 1.825(5) . ?
P1 C111 1.835(5) . ?
P1 C131 1.842(5) . ?
P2 C221 1.825(4) . ?
P2 C211 1.832(5) . ?
P2 C231 1.833(4) . ?
O C 1.144(5) . ?
O1 C1 1.324(5) . ?
N1 N2 1.282(5) . ?
N1 C7 1.402(5) . ?
N2 C8 1.410(5) . ?
C1 C7 1.401(6) . ?
C1 C2 1.403(6) . ?
C2 C3 1.368(7) . ?
C3 C4 1.398(7) . ?
C4 C6 1.369(6) . ?
C4 C5 1.509(7) . ?
C6 C7 1.405(6) . ?
C8 C9 1.401(6) . ?
C8 C13 1.423(6) . ?
C9 C10 1.373(7) . ?
C10 C11 1.377(7) . ?
C11 C12 1.380(7) . ?
C12 C13 1.393(6) . ?
C111 C112 1.365(7) . ?
C111 C116 1.382(7) . ?
C112 C113 1.390(7) . ?
C113 C114 1.355(9) . ?
C114 C115 1.367(9) . ?
C115 C116 1.378(7) . ?
C121 C122 1.381(7) . ?
C121 C126 1.389(7) . ?
C122 C123 1.374(7) . ?
C123 C124 1.367(9) . ?
C124 C125 1.366(9) . ?
C125 C126 1.377(7) . ?
C131 C136 1.374(7) . ?
C131 C132 1.387(7) . ?
C132 C133 1.380(7) . ?
C133 C134 1.372(8) . ?
C134 C135 1.370(8) . ?
C135 C136 1.371(7) . ?
C211 C212 1.369(6) . ?
C211 C216 1.404(6) . ?
C212 C213 1.386(7) . ?
C213 C214 1.379(9) . ?
C214 C215 1.355(9) . ?
C215 C216 1.383(8) . ?
C221 C222 1.382(7) . ?
C221 C226 1.388(7) . ?
C222 C223 1.388(8) . ?
C223 C224 1.356(9) . ?
C224 C225 1.358(8) . ?
C225 C226 1.387(7) . ?
C231 C232 1.380(6) . ?
C231 C236 1.380(6) . ?
C232 C233 1.377(6) . ?
C233 C234 1.356(7) . ?
C234 C235 1.359(8) . ?
C235 C236 1.388(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
C Os P1 C121 -75.9(2) . . . . ?
C13 Os P1 C121 22.9(2) . . . . ?
N1 Os P1 C121 99.6(2) . . . . ?
O1 Os P1 C121 177.16(19) . . . . ?
P2 Os P1 C121 -111.6(4) . . . . ?
C Os P1 C111 161.7(2) . . . . ?
C13 Os P1 C111 -99.5(2) . . . . ?
N1 Os P1 C111 -22.7(2) . . . . ?
O1 Os P1 C111 54.81(19) . . . . ?
P2 Os P1 C111 126.0(4) . . . . ?
C Os P1 C131 41.9(2) . . . . ?
C13 Os P1 C131 140.7(2) . . . . ?
N1 Os P1 C131 -142.59(19) . . . . ?
O1 Os P1 C131 -65.06(18) . . . . ?
P2 Os P1 C131 6.2(5) . . . . ?
C Os P2 C221 67.8(2) . . . . ?
C13 Os P2 C221 -31.2(2) . . . . ?
N1 Os P2 C221 -107.7(2) . . . . ?
O1 Os P2 C221 174.52(18) . . . . ?
P1 Os P2 C221 103.4(4) . . . . ?
C Os P2 C211 -168.8(2) . . . . ?
C13 Os P2 C211 92.3(2) . . . . ?
N1 Os P2 C211 15.72(19) . . . . ?
O1 Os P2 C211 -62.07(18) . . . . ?
P1 Os P2 C211 -133.2(4) . . . . ?
C Os P2 C231 -49.3(2) . . . . ?
C13 Os P2 C231 -148.3(2) . . . . ?
N1 Os P2 C231 135.20(19) . . . . ?
O1 Os P2 C231 57.42(18) . . . . ?
P1 Os P2 C231 -13.7(5) . . . . ?
C Os O1 C1 175.7(3) . . . . ?
C13 Os O1 C1 -6.1(5) . . . . ?
N1 Os O1 C1 -3.2(3) . . . . ?
P2 Os O1 C1 86.5(3) . . . . ?
P1 Os O1 C1 -98.7(3) . . . . ?
C Os N1 N2 15(2) . . . . ?
C13 Os N1 N2 0.2(3) . . . . ?
O1 Os N1 N2 -178.4(3) . . . . ?
P2 Os N1 N2 90.9(3) . . . . ?
P1 Os N1 N2 -91.9(3) . . . . ?
C Os N1 C7 -163(2) . . . . ?
C13 Os N1 C7 -177.3(3) . . . . ?
O1 Os N1 C7 4.0(3) . . . . ?
P2 Os N1 C7 -86.6(3) . . . . ?
P1 Os N1 C7 90.6(3) . . . . ?
C7 N1 N2 C8 177.8(4) . . . . ?
Os N1 N2 C8 0.4(5) . . . . ?
C13 Os C O -28(13) . . . . ?
N1 Os C O -42(14) . . . . ?
O1 Os C O 152(13) . . . . ?
P2 Os C O -118(13) . . . . ?
P1 Os C O 65(13) . . . . ?
Os O1 C1 C7 2.1(5) . . . . ?
Os O1 C1 C2 -177.8(4) . . . . ?
O1 C1 C2 C3 176.7(5) . . . . ?
C7 C1 C2 C3 -3.1(7) . . . . ?
C1 C2 C3 C4 0.2(8) . . . . ?
C2 C3 C4 C6 1.7(8) . . . . ?
C2 C3 C4 C5 -175.4(5) . . . . ?
C3 C4 C6 C7 -0.5(7) . . . . ?
C5 C4 C6 C7 176.5(5) . . . . ?
O1 C1 C7 N1 1.2(6) . . . . ?
C2 C1 C7 N1 -178.9(4) . . . . ?
O1 C1 C7 C6 -175.5(4) . . . . ?
C2 C1 C7 C6 4.3(7) . . . . ?
N2 N1 C7 C1 178.2(4) . . . . ?
Os N1 C7 C1 -4.2(5) . . . . ?
N2 N1 C7 C6 -5.1(7) . . . . ?
Os N1 C7 C6 172.5(4) . . . . ?
C4 C6 C7 C1 -2.5(7) . . . . ?
C4 C6 C7 N1 -179.0(4) . . . . ?
N1 N2 C8 C9 -179.6(4) . . . . ?
N1 N2 C8 C13 -1.2(6) . . . . ?
N2 C8 C9 C10 178.5(5) . . . . ?
C13 C8 C9 C10 0.2(8) . . . . ?
C8 C9 C10 C11 -1.3(9) . . . . ?
C9 C10 C11 C12 1.1(9) . . . . ?
C10 C11 C12 C13 0.2(9) . . . . ?
C11 C12 C13 C8 -1.3(7) . . . . ?
C11 C12 C13 Os -179.5(4) . . . . ?
C9 C8 C13 C12 1.1(7) . . . . ?
N2 C8 C13 C12 -177.2(4) . . . . ?
C9 C8 C13 Os 179.7(4) . . . . ?
N2 C8 C13 Os 1.4(5) . . . . ?
C Os C13 C12 -1.4(5) . . . . ?
N1 Os C13 C12 177.4(5) . . . . ?
O1 Os C13 C12 -179.6(4) . . . . ?
P2 Os C13 C12 87.8(5) . . . . ?
P1 Os C13 C12 -88.3(5) . . . . ?
C Os C13 C8 -179.7(3) . . . . ?
N1 Os C13 C8 -0.8(3) . . . . ?
O1 Os C13 C8 2.1(6) . . . . ?
P2 Os C13 C8 -90.5(3) . . . . ?
P1 Os C13 C8 93.4(3) . . . . ?
C121 P1 C111 C112 105.6(5) . . . . ?
C131 P1 C111 C112 -3.4(5) . . . . ?
Os P1 C111 C112 -126.8(4) . . . . ?
C121 P1 C111 C116 -74.3(5) . . . . ?
C131 P1 C111 C116 176.8(4) . . . . ?
Os P1 C111 C116 53.4(5) . . . . ?
C116 C111 C112 C113 -0.2(8) . . . . ?
P1 C111 C112 C113 180.0(5) . . . . ?
C111 C112 C113 C114 -0.4(10) . . . . ?
C112 C113 C114 C115 0.7(11) . . . . ?
C113 C114 C115 C116 -0.4(11) . . . . ?
C114 C115 C116 C111 -0.1(10) . . . . ?
C112 C111 C116 C115 0.4(9) . . . . ?
P1 C111 C116 C115 -179.7(5) . . . . ?
C111 P1 C121 C122 -175.4(4) . . . . ?
C131 P1 C121 C122 -66.4(4) . . . . ?
Os P1 C121 C122 55.3(4) . . . . ?
C111 P1 C121 C126 7.7(5) . . . . ?
C131 P1 C121 C126 116.7(4) . . . . ?
Os P1 C121 C126 -121.7(4) . . . . ?
C126 C121 C122 C123 0.4(8) . . . . ?
P1 C121 C122 C123 -176.7(5) . . . . ?
C121 C122 C123 C124 0.8(9) . . . . ?
C122 C123 C124 C125 -1.6(10) . . . . ?
C123 C124 C125 C126 1.1(10) . . . . ?
C124 C125 C126 C121 0.1(9) . . . . ?
C122 C121 C126 C125 -0.8(8) . . . . ?
P1 C121 C126 C125 176.2(4) . . . . ?
C121 P1 C131 C136 171.2(4) . . . . ?
C111 P1 C131 C136 -80.0(4) . . . . ?
Os P1 C131 C136 47.3(4) . . . . ?
C121 P1 C131 C132 -8.2(5) . . . . ?
C111 P1 C131 C132 100.6(4) . . . . ?
Os P1 C131 C132 -132.0(4) . . . . ?
C136 C131 C132 C133 -1.9(8) . . . . ?
P1 C131 C132 C133 177.4(4) . . . . ?
C131 C132 C133 C134 1.8(9) . . . . ?
C132 C133 C134 C135 0.1(9) . . . . ?
C133 C134 C135 C136 -1.9(9) . . . . ?
C134 C135 C136 C131 1.7(8) . . . . ?
C132 C131 C136 C135 0.2(7) . . . . ?
P1 C131 C136 C135 -179.2(4) . . . . ?
C221 P2 C211 C212 -125.5(4) . . . . ?
C231 P2 C211 C212 -19.7(4) . . . . ?
Os P2 C211 C212 106.4(4) . . . . ?
C221 P2 C211 C216 60.4(4) . . . . ?
C231 P2 C211 C216 166.3(4) . . . . ?
Os P2 C211 C216 -67.6(4) . . . . ?
C216 C211 C212 C213 -2.1(7) . . . . ?
P2 C211 C212 C213 -176.2(4) . . . . ?
C211 C212 C213 C214 2.1(9) . . . . ?
C212 C213 C214 C215 -1.2(9) . . . . ?
C213 C214 C215 C216 0.4(10) . . . . ?
C214 C215 C216 C211 -0.5(9) . . . . ?
C212 C211 C216 C215 1.3(7) . . . . ?
P2 C211 C216 C215 175.5(4) . . . . ?
C211 P2 C221 C222 0.2(5) . . . . ?
C231 P2 C221 C222 -106.6(5) . . . . ?
Os P2 C221 C222 128.7(4) . . . . ?
C211 P2 C221 C226 175.1(4) . . . . ?
C231 P2 C221 C226 68.3(4) . . . . ?
Os P2 C221 C226 -56.3(4) . . . . ?
C226 C221 C222 C223 2.4(8) . . . . ?
P2 C221 C222 C223 177.3(4) . . . . ?
C221 C222 C223 C224 -2.0(9) . . . . ?
C222 C223 C224 C225 1.5(10) . . . . ?
C223 C224 C225 C226 -1.4(10) . . . . ?
C224 C225 C226 C221 1.9(9) . . . . ?
C222 C221 C226 C225 -2.3(8) . . . . ?
P2 C221 C226 C225 -177.6(4) . . . . ?
C221 P2 C231 C232 34.0(4) . . . . ?
C211 P2 C231 C232 -75.1(4) . . . . ?
Os P2 C231 C232 158.5(3) . . . . ?
C221 P2 C231 C236 -147.7(4) . . . . ?
C211 P2 C231 C236 103.2(4) . . . . ?
Os P2 C231 C236 -23.2(4) . . . . ?
C236 C231 C232 C233 -0.3(7) . . . . ?
P2 C231 C232 C233 178.1(4) . . . . ?
C231 C232 C233 C234 0.9(8) . . . . ?
C232 C233 C234 C235 -0.9(8) . . . . ?
C233 C234 C235 C236 0.2(8) . . . . ?
C232 C231 C236 C235 -0.4(7) . . . . ?
P2 C231 C236 C235 -178.7(4) . . . . ?
C234 C235 C236 C231 0.4(8) . . . . ?
