#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:13:47 +0300 (Sun, 06 Sep 2020) $
#$Revision: 255956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/68/7126884.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_7126884
loop_
_publ_author_name
'Yeung, Chi-Fung'
'Chung, Lai-Hon'
'Tse, Sheung-Ying'
'Shek, Hau-Lam'
'Tse, Man-Kit'
'Yiu, Shek-Man'
'Wong, Chun-Yuen'
_publ_section_title
;
 Conventional and unconventional alkyne activations by Ru and Os for
 unprecedented dimetalated quinolizinium complexes.
;
_journal_issue                   63
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8908
_journal_page_last               8911
_journal_paper_doi               10.1039/d0cc03480k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C69 H62 F6 N O7.5 Os P4 S2'
_chemical_formula_weight         1517.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-05-05 deposited with the CCDC.	2020-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.0160(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.0620(5)
_cell_length_b                   16.4101(4)
_cell_length_c                   36.9903(9)
_cell_measurement_reflns_used    8996
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      74.56
_cell_measurement_theta_min      3.34
_cell_volume                     13582.2(6)
_computing_cell_refinement       'Bruker Saint'
_computing_data_collection       'Bruker Apex3'
_computing_data_reduction        'Bruker Saint'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1004
_diffrn_reflns_av_unetI/netI     0.0704
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            161466
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.582
_diffrn_reflns_theta_min         2.568
_diffrn_source                   'micro focus'
_exptl_absorpt_coefficient_mu    5.604
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.2977
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       block
_exptl_crystal_F_000             6120
_refine_diff_density_max         2.997
_refine_diff_density_min         -2.090
_refine_diff_density_rms         0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1610
_refine_ls_number_reflns         27913
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1220P)²+104.1825P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2347
_refine_ls_wR_factor_ref         0.2526
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23888
_reflns_number_total             27913
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03480k2.cif
_cod_data_source_block           2m
_cod_depositor_comments
'Adding full bibliography for 7126879--7126885.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C69 H62 F6 N O7.50 Os P4 S2'
_cod_database_code               7126884
_shelx_shelxl_version_number     2016/6
_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'
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 0.19160(2) 0.51464(2) 0.64310(2) 0.02827(11) Uani 1 1 d . . . . .
P1 P 0.12642(10) 0.40526(14) 0.64692(7) 0.0321(5) Uani 1 1 d . . . . .
P2 P 0.21453(10) 0.39408(13) 0.60995(7) 0.0321(4) Uani 1 1 d . . . . .
P3 P 0.26896(9) 0.48899(13) 0.69370(6) 0.0284(4) Uani 1 1 d . . . . .
P4 P 0.27365(10) 0.59331(13) 0.63755(6) 0.0302(4) Uani 1 1 d . . . . .
O1 O 0.1361(3) 0.5802(4) 0.59646(18) 0.0364(14) Uani 1 1 d . . . . .
N1 N 0.0972(4) 0.7356(5) 0.6562(2) 0.0353(17) Uani 1 1 d . . . . .
C1 C 0.1555(4) 0.6076(5) 0.6666(3) 0.0308(17) Uani 1 1 d . . . . .
H1 H 0.162623 0.613009 0.692629 0.037 Uiso 1 1 calc R U . . .
C2 C 0.1205(4) 0.6617(5) 0.6432(3) 0.0343(19) Uani 1 1 d . . . . .
C3 C 0.1123(4) 0.6459(6) 0.6043(3) 0.0350(19) Uani 1 1 d . . . . .
C4 C 0.0814(4) 0.6975(7) 0.5730(3) 0.041(2) Uani 1 1 d . . . . .
C5 C 0.0851(5) 0.7819(7) 0.5744(3) 0.045(2) Uani 1 1 d . . . . .
H5 H 0.106795 0.807306 0.596231 0.054 Uiso 1 1 calc R U . . .
C6 C 0.0576(6) 0.8292(7) 0.5444(4) 0.052(3) Uani 1 1 d . . . . .
H6 H 0.062304 0.886137 0.545128 0.062 Uiso 1 1 calc R U . . .
C7 C 0.0226(6) 0.7912(9) 0.5129(4) 0.060(3) Uani 1 1 d . . . . .
H7 H 0.002024 0.822997 0.492721 0.072 Uiso 1 1 calc R U . . .
C8 C 0.0176(6) 0.7077(9) 0.5110(4) 0.058(3) Uani 1 1 d . . . . .
H8 H -0.005612 0.682829 0.489415 0.069 Uiso 1 1 calc R U . . .
C9 C 0.0473(5) 0.6596(8) 0.5412(3) 0.050(3) Uani 1 1 d . . . . .
H9 H 0.044204 0.602505 0.539930 0.061 Uiso 1 1 calc R U . . .
C10 C 0.1384(5) 0.7918(6) 0.6726(3) 0.043(2) Uani 1 1 d . . . . .
H10 H 0.179194 0.779739 0.675923 0.052 Uiso 1 1 calc R U . . .
C11 C 0.1221(7) 0.8656(7) 0.6844(4) 0.058(3) Uani 1 1 d . . . . .
H11 H 0.151238 0.904677 0.694560 0.070 Uiso 1 1 calc R U . . .
C12 C 0.0635(9) 0.8816(9) 0.6812(4) 0.077(5) Uani 1 1 d . . . . .
H12 H 0.051636 0.931208 0.689886 0.093 Uiso 1 1 calc R U . . .
C13 C 0.0204(6) 0.8230(9) 0.6648(5) 0.065(4) Uani 1 1 d . . . . .
H13 H -0.020358 0.833814 0.662470 0.078 Uiso 1 1 calc R U . . .
C14 C 0.0374(5) 0.7502(7) 0.6521(4) 0.050(3) Uani 1 1 d . . . . .
C15 C -0.0065(6) 0.6874(10) 0.6352(6) 0.080(5) Uani 1 1 d . . . . .
H15A H -0.008434 0.683662 0.608737 0.120 Uiso 1 1 calc R U . . .
H15B H -0.045482 0.702047 0.638709 0.120 Uiso 1 1 calc R U . . .
H15C H 0.005617 0.635253 0.646918 0.120 Uiso 1 1 calc R U . . .
C16 C 0.2734(4) 0.7027(5) 0.6452(3) 0.0352(19) Uani 1 1 d . . . . .
C17 C 0.2441(6) 0.7519(6) 0.6152(3) 0.047(2) Uani 1 1 d . . . . .
H17 H 0.226104 0.728064 0.592146 0.056 Uiso 1 1 calc R U . . .
C18 C 0.2419(7) 0.8351(7) 0.6198(4) 0.064(3) Uani 1 1 d . . . . .
H18 H 0.222346 0.867858 0.599630 0.076 Uiso 1 1 calc R U . . .
C19 C 0.2681(6) 0.8710(8) 0.6536(4) 0.061(3) Uani 1 1 d . . . . .
H19 H 0.266789 0.927887 0.656467 0.073 Uiso 1 1 calc R U . . .
C20 C 0.2962(6) 0.8227(8) 0.6832(4) 0.059(3) Uani 1 1 d . . . . .
H20 H 0.313679 0.846919 0.706306 0.071 Uiso 1 1 calc R U . . .
C21 C 0.2990(5) 0.7391(7) 0.6794(3) 0.049(3) Uani 1 1 d . . . . .
H21 H 0.318226 0.706828 0.699758 0.058 Uiso 1 1 calc R U . . .
C22 C 0.3025(5) 0.5852(6) 0.5963(3) 0.040(2) Uani 1 1 d . . . . .
C23 C 0.2630(5) 0.5640(6) 0.5626(3) 0.043(2) Uani 1 1 d . . . . .
H23 H 0.221806 0.560050 0.560863 0.052 Uiso 1 1 calc R U . . .
C24 C 0.2857(7) 0.5485(9) 0.5311(3) 0.062(3) Uani 1 1 d . . . . .
H24 H 0.259373 0.535313 0.508244 0.074 Uiso 1 1 calc R U . . .
C25 C 0.3458(7) 0.5526(9) 0.5337(4) 0.067(4) Uani 1 1 d . . . . .
H25 H 0.361036 0.539349 0.513036 0.080 Uiso 1 1 calc R U . . .
C26 C 0.3851(6) 0.5770(9) 0.5678(4) 0.062(3) Uani 1 1 d . . . . .
H26 H 0.426314 0.581586 0.569570 0.074 Uiso 1 1 calc R U . . .
C27 C 0.3629(5) 0.5938(7) 0.5983(3) 0.045(2) Uani 1 1 d . . . . .
H27 H 0.388874 0.611313 0.620597 0.054 Uiso 1 1 calc R U . . .
C28 C 0.3266(4) 0.5450(6) 0.6764(3) 0.037(2) Uani 1 1 d . . . . .
H28A H 0.348546 0.584545 0.694459 0.045 Uiso 1 1 calc R U . . .
H28B H 0.354610 0.508644 0.668149 0.045 Uiso 1 1 calc R U . . .
C29 C 0.2694(4) 0.5329(5) 0.7391(3) 0.0312(17) Uani 1 1 d . . . . .
C30 C 0.2174(4) 0.5294(6) 0.7524(3) 0.0348(19) Uani 1 1 d . . . . .
H30 H 0.181309 0.511917 0.736551 0.042 Uiso 1 1 calc R U . . .
C31 C 0.2189(5) 0.5516(7) 0.7887(3) 0.046(2) Uani 1 1 d . . . . .
H31 H 0.183736 0.549829 0.797289 0.055 Uiso 1 1 calc R U . . .
C32 C 0.2712(6) 0.5759(6) 0.8121(3) 0.048(3) Uani 1 1 d . . . . .
H32 H 0.271932 0.590656 0.836791 0.058 Uiso 1 1 calc R U . . .
C33 C 0.3237(5) 0.5790(6) 0.7996(3) 0.046(2) Uani 1 1 d . . . . .
H33 H 0.359615 0.596628 0.815632 0.055 Uiso 1 1 calc R U . . .
C34 C 0.3223(4) 0.5560(6) 0.7636(3) 0.038(2) Uani 1 1 d . . . . .
H34 H 0.357942 0.555940 0.755550 0.045 Uiso 1 1 calc R U . . .
C35 C 0.3014(4) 0.3899(5) 0.7098(3) 0.0306(17) Uani 1 1 d . . . . .
C36 C 0.2652(4) 0.3336(6) 0.7225(3) 0.0347(19) Uani 1 1 d . . . . .
H36 H 0.225512 0.347250 0.722166 0.042 Uiso 1 1 calc R U . . .
C37 C 0.2875(5) 0.2582(6) 0.7356(3) 0.040(2) Uani 1 1 d . . . . .
H37 H 0.262910 0.221168 0.744381 0.048 Uiso 1 1 calc R U . . .
C38 C 0.3458(5) 0.2366(6) 0.7359(3) 0.045(2) Uani 1 1 d . . . . .
H38 H 0.360609 0.184675 0.744032 0.053 Uiso 1 1 calc R U . . .
C39 C 0.3818(5) 0.2933(7) 0.7238(4) 0.047(3) Uani 1 1 d . . . . .
H39 H 0.421572 0.279636 0.724297 0.057 Uiso 1 1 calc R U . . .
C40 C 0.3602(4) 0.3694(6) 0.7111(3) 0.041(2) Uani 1 1 d . . . . .
H40 H 0.385425 0.407146 0.703367 0.049 Uiso 1 1 calc R U . . .
C41 C 0.2863(4) 0.3424(6) 0.6164(3) 0.0343(19) Uani 1 1 d . . . . .
C42 C 0.3333(5) 0.3798(7) 0.6059(4) 0.054(3) Uani 1 1 d . . . . .
H42 H 0.327798 0.432647 0.595814 0.065 Uiso 1 1 calc R U . . .
C43 C 0.3877(6) 0.3427(10) 0.6096(5) 0.074(4) Uani 1 1 d . . . . .
H43 H 0.418862 0.369797 0.602163 0.088 Uiso 1 1 calc R U . . .
C44 C 0.3963(6) 0.2634(9) 0.6246(5) 0.068(4) Uani 1 1 d . . . . .
H44 H 0.433495 0.237289 0.627857 0.082 Uiso 1 1 calc R U . . .
C45 C 0.3497(7) 0.2248(9) 0.6344(4) 0.070(4) Uani 1 1 d . . . . .
H45 H 0.354511 0.171322 0.643747 0.084 Uiso 1 1 calc R U . . .
C46 C 0.2948(6) 0.2648(7) 0.6306(4) 0.056(3) Uani 1 1 d . . . . .
H46 H 0.263339 0.238149 0.637935 0.067 Uiso 1 1 calc R U . . .
C47 C 0.1834(4) 0.3849(6) 0.5597(3) 0.037(2) Uani 1 1 d . . . . .
C48 C 0.2081(6) 0.3340(9) 0.5380(3) 0.056(3) Uani 1 1 d . . . . .
H48 H 0.241240 0.302022 0.549438 0.068 Uiso 1 1 calc R U . . .
C49 C 0.1857(7) 0.3284(10) 0.4998(4) 0.067(4) Uani 1 1 d . . . . .
H49 H 0.203906 0.294269 0.485371 0.081 Uiso 1 1 calc R U . . .
C50 C 0.1354(8) 0.3749(9) 0.4833(4) 0.067(4) Uani 1 1 d . . . . .
H50 H 0.119373 0.371991 0.457388 0.080 Uiso 1 1 calc R U . . .
C51 C 0.1091(6) 0.4251(8) 0.5049(3) 0.058(3) Uani 1 1 d . . . . .
H51 H 0.074898 0.455340 0.493721 0.069 Uiso 1 1 calc R U . . .
C52 C 0.1333(6) 0.4310(7) 0.5433(3) 0.048(3) Uani 1 1 d . . . . .
H52 H 0.115858 0.465764 0.557882 0.057 Uiso 1 1 calc R U . . .
C53 C 0.1698(4) 0.3252(6) 0.6317(3) 0.0360(19) Uani 1 1 d . . . . .
H53A H 0.144959 0.287946 0.613690 0.043 Uiso 1 1 calc R U . . .
H53B H 0.194349 0.294315 0.652544 0.043 Uiso 1 1 calc R U . . .
C54 C 0.1053(4) 0.3676(6) 0.6882(3) 0.0338(18) Uani 1 1 d . . . . .
C55 C 0.1084(5) 0.2855(7) 0.6970(3) 0.044(2) Uani 1 1 d . . . . .
H55 H 0.125481 0.248884 0.682999 0.053 Uiso 1 1 calc R U . . .
C56 C 0.0868(6) 0.2570(8) 0.7261(4) 0.055(3) Uani 1 1 d . . . . .
H56 H 0.089232 0.201192 0.732020 0.067 Uiso 1 1 calc R U . . .
C57 C 0.0611(6) 0.3116(10) 0.7467(4) 0.063(3) Uani 1 1 d . . . . .
H57 H 0.047114 0.292698 0.767065 0.075 Uiso 1 1 calc R U . . .
C58 C 0.0563(6) 0.3930(9) 0.7375(4) 0.057(3) Uani 1 1 d . . . . .
H58 H 0.037646 0.429514 0.750599 0.069 Uiso 1 1 calc R U . . .
C59 C 0.0795(5) 0.4200(7) 0.7084(3) 0.046(2) Uani 1 1 d . . . . .
H59 H 0.077571 0.475821 0.702482 0.056 Uiso 1 1 calc R U . . .
C60 C 0.0536(4) 0.4059(6) 0.6147(3) 0.040(2) Uani 1 1 d . . . . .
C61 C 0.0264(5) 0.3350(7) 0.5976(3) 0.050(3) Uani 1 1 d . . . . .
H61 H 0.047778 0.285694 0.599892 0.060 Uiso 1 1 calc R U . . .
C62 C -0.0325(5) 0.3383(9) 0.5772(4) 0.062(3) Uani 1 1 d . . . . .
H62 H -0.051336 0.290418 0.566285 0.075 Uiso 1 1 calc R U . . .
C63 C -0.0637(6) 0.4101(9) 0.5727(5) 0.070(4) Uani 1 1 d . . . . .
H63 H -0.102941 0.411678 0.557773 0.084 Uiso 1 1 calc R U . . .
C64 C -0.0375(7) 0.4805(9) 0.5901(5) 0.076(5) Uani 1 1 d . . . . .
H64 H -0.059554 0.529202 0.588334 0.091 Uiso 1 1 calc R U . . .
C65 C 0.0217(5) 0.4779(8) 0.6102(4) 0.059(3) Uani 1 1 d . . . . .
H65 H 0.040371 0.525935 0.621007 0.071 Uiso 1 1 calc R U . . .
Os2 Os 0.73960(2) -0.01124(2) 0.63778(2) 0.03054(12) Uani 1 1 d . . . . .
P5 P 0.80625(11) -0.12282(15) 0.64169(7) 0.0360(5) Uani 1 1 d . . . . .
P6 P 0.69161(10) -0.12527(14) 0.60028(7) 0.0331(5) Uani 1 1 d . . . . .
P7 P 0.69450(10) -0.03947(14) 0.68533(6) 0.0309(4) Uani 1 1 d . . . . .
P8 P 0.65381(10) 0.07054(13) 0.63082(7) 0.0314(4) Uani 1 1 d . . . . .
O2 O 0.7671(3) 0.0533(4) 0.59447(19) 0.0362(14) Uani 1 1 d . . . . .
N2 N 0.8481(4) 0.2055(6) 0.6585(3) 0.044(2) Uani 1 1 d . . . . .
C66 C 0.7933(4) 0.0794(6) 0.6647(3) 0.039(2) Uani 1 1 d . . . . .
H66 H 0.802207 0.084420 0.690773 0.046 Uiso 1 1 calc R U . . .
C67 C 0.8155(5) 0.1320(6) 0.6434(3) 0.040(2) Uani 1 1 d . . . . .
C68 C 0.7993(4) 0.1165(6) 0.6043(3) 0.040(2) Uani 1 1 d . . . . .
C69 C 0.8106(5) 0.1674(7) 0.5739(3) 0.044(2) Uani 1 1 d . . . . .
C70 C 0.8045(5) 0.2514(7) 0.5730(4) 0.053(3) Uani 1 1 d . . . . .
H70 H 0.796837 0.278317 0.593763 0.063 Uiso 1 1 calc R U . . .
C71 C 0.8092(6) 0.2969(10) 0.5424(4) 0.067(4) Uani 1 1 d . . . . .
H71 H 0.801322 0.353140 0.541189 0.081 Uiso 1 1 calc R U . . .
C72 C 0.8261(6) 0.2570(12) 0.5135(5) 0.078(5) Uani 1 1 d . . . . .
H72 H 0.832178 0.287469 0.493190 0.093 Uiso 1 1 calc R U . . .
C73 C 0.8339(6) 0.1750(11) 0.5137(4) 0.069(4) Uani 1 1 d . . . . .
H73 H 0.845209 0.149747 0.493629 0.083 Uiso 1 1 calc R U . . .
C74 C 0.8252(6) 0.1273(9) 0.5437(4) 0.059(3) Uani 1 1 d . . . . .
H74 H 0.829024 0.070262 0.543442 0.071 Uiso 1 1 calc R U . . .
C75 C 0.8175(6) 0.2607(7) 0.6738(4) 0.054(3) Uani 1 1 d . . . . .
H75 H 0.778307 0.247885 0.675117 0.065 Uiso 1 1 calc R U . . .
C76 C 0.8409(7) 0.3346(8) 0.6876(5) 0.067(4) Uani 1 1 d . . . . .
H76 H 0.818503 0.371742 0.697983 0.081 Uiso 1 1 calc R U . . .
C77 C 0.8981(8) 0.3519(9) 0.6855(5) 0.079(5) Uani 1 1 d . . . . .
H77 H 0.915716 0.401967 0.694455 0.095 Uiso 1 1 calc R U . . .
C78 C 0.9300(7) 0.2953(9) 0.6701(5) 0.072(4) Uani 1 1 d . . . . .
H78 H 0.969167 0.308021 0.668636 0.086 Uiso 1 1 calc R U . . .
C79 C 0.9062(5) 0.2214(8) 0.6569(4) 0.053(3) Uani 1 1 d . . . . .
C80 C 0.9411(6) 0.1584(9) 0.6440(4) 0.065(4) Uani 1 1 d . . . . .
H80A H 0.937171 0.107342 0.656380 0.098 Uiso 1 1 calc R U . . .
H80B H 0.982822 0.174429 0.649657 0.098 Uiso 1 1 calc R U . . .
H80C H 0.926552 0.151516 0.617247 0.098 Uiso 1 1 calc R U . . .
C81 C 0.6617(5) 0.1774(6) 0.6440(3) 0.040(2) Uani 1 1 d . . . . .
C82 C 0.6587(6) 0.2074(8) 0.6791(4) 0.057(3) Uani 1 1 d . . . . .
H82 H 0.652038 0.171575 0.697553 0.068 Uiso 1 1 calc R U . . .
C83 C 0.6655(7) 0.2904(9) 0.6865(4) 0.068(4) Uani 1 1 d . . . . .
H83 H 0.663923 0.310652 0.709974 0.081 Uiso 1 1 calc R U . . .
C84 C 0.6744(9) 0.3423(8) 0.6598(5) 0.086(5) Uani 1 1 d . . . . .
H84 H 0.678303 0.398408 0.664977 0.103 Uiso 1 1 calc R U . . .
C85 C 0.6779(8) 0.3142(8) 0.6247(5) 0.071(4) Uani 1 1 d . . . . .
H85 H 0.684434 0.350463 0.606400 0.086 Uiso 1 1 calc R U . . .
C86 C 0.6715(6) 0.2310(7) 0.6177(4) 0.052(3) Uani 1 1 d . . . . .
H86 H 0.674044 0.211058 0.594352 0.062 Uiso 1 1 calc R U . . .
C87 C 0.5948(5) 0.0785(6) 0.5889(3) 0.038(2) Uani 1 1 d . . . . .
C88 C 0.5379(5) 0.0997(8) 0.5912(3) 0.052(3) Uani 1 1 d . . . . .
H88 H 0.529632 0.107210 0.614616 0.063 Uiso 1 1 calc R U . . .
C89 C 0.4928(7) 0.1099(10) 0.5590(4) 0.069(4) Uani 1 1 d . . . . .
H89 H 0.454438 0.125976 0.560702 0.083 Uiso 1 1 calc R U . . .
C90 C 0.5037(7) 0.0968(9) 0.5252(4) 0.069(4) Uani 1 1 d . . . . .
H90 H 0.472492 0.102265 0.503694 0.082 Uiso 1 1 calc R U . . .
C91 C 0.5591(9) 0.0760(10) 0.5220(4) 0.075(5) Uani 1 1 d . . . . .
H91 H 0.565947 0.067443 0.498226 0.090 Uiso 1 1 calc R U . . .
C92 C 0.6065(6) 0.0670(7) 0.5539(3) 0.052(3) Uani 1 1 d . . . . .
H92 H 0.645135 0.053555 0.551705 0.063 Uiso 1 1 calc R U . . .
C93 C 0.6245(4) 0.0138(6) 0.6657(3) 0.0349(19) Uani 1 1 d . . . . .
H93A H 0.612335 0.049628 0.683734 0.042 Uiso 1 1 calc R U . . .
H93B H 0.591823 -0.023220 0.654345 0.042 Uiso 1 1 calc R U . . .
C94 C 0.7239(4) 0.0031(5) 0.7320(3) 0.0343(19) Uani 1 1 d . . . . .
C95 C 0.7860(5) 0.0017(6) 0.7475(3) 0.039(2) Uani 1 1 d . . . . .
H95 H 0.812148 -0.013842 0.732847 0.047 Uiso 1 1 calc R U . . .
C96 C 0.8082(6) 0.0230(7) 0.7840(4) 0.054(3) Uani 1 1 d . . . . .
H96 H 0.849580 0.021660 0.794460 0.064 Uiso 1 1 calc R U . . .
C97 C 0.7696(6) 0.0464(7) 0.8056(3) 0.055(3) Uani 1 1 d . . . . .
H97 H 0.785017 0.062178 0.830486 0.066 Uiso 1 1 calc R U . . .
C98 C 0.7088(6) 0.0468(7) 0.7908(3) 0.053(3) Uani 1 1 d . . . . .
H98 H 0.683036 0.061091 0.805900 0.063 Uiso 1 1 calc R U . . .
C99 C 0.6854(5) 0.0266(6) 0.7540(3) 0.041(2) Uani 1 1 d . . . . .
H99 H 0.643874 0.028544 0.743883 0.049 Uiso 1 1 calc R U . . .
C100 C 0.6729(4) -0.1380(6) 0.7006(3) 0.0355(19) Uani 1 1 d . . . . .
C101 C 0.7179(5) -0.1943(6) 0.7150(3) 0.041(2) Uani 1 1 d . . . . .
H101 H 0.757537 -0.182838 0.714383 0.049 Uiso 1 1 calc R U . . .
C102 C 0.7046(5) -0.2665(6) 0.7302(3) 0.044(2) Uani 1 1 d . . . . .
H102 H 0.735151 -0.303714 0.740450 0.053 Uiso 1 1 calc R U . . .
C103 C 0.6451(6) -0.2843(7) 0.7303(4) 0.051(3) Uani 1 1 d . . . . .
H103 H 0.635494 -0.334167 0.739857 0.061 Uiso 1 1 calc R U . . .
C104 C 0.6019(5) -0.2296(8) 0.7166(4) 0.053(3) Uani 1 1 d . . . . .
H104 H 0.562244 -0.241661 0.717068 0.064 Uiso 1 1 calc R U . . .
C105 C 0.6143(5) -0.1557(7) 0.7018(4) 0.047(2) Uani 1 1 d . . . . .
H105 H 0.583545 -0.118111 0.692614 0.056 Uiso 1 1 calc R U . . .
C106 C 0.6904(5) -0.1348(6) 0.5508(3) 0.040(2) Uani 1 1 d . . . . .
C107 C 0.7221(7) -0.0807(9) 0.5342(4) 0.061(3) Uani 1 1 d . . . . .
H107 H 0.742399 -0.037076 0.548251 0.074 Uiso 1 1 calc R U . . .
C108 C 0.7244(9) -0.0898(10) 0.4973(4) 0.076(4) Uani 1 1 d . . . . .
H108 H 0.746506 -0.052921 0.486523 0.091 Uiso 1 1 calc R U . . .
C109 C 0.6940(7) -0.1534(9) 0.4766(4) 0.064(3) Uani 1 1 d . . . . .
H109 H 0.694810 -0.159298 0.451405 0.076 Uiso 1 1 calc R U . . .
C110 C 0.6628(7) -0.2078(10) 0.4924(4) 0.068(4) Uani 1 1 d . . . . .
H110 H 0.643070 -0.251744 0.478402 0.082 Uiso 1 1 calc R U . . .
C111 C 0.6603(6) -0.1983(8) 0.5287(4) 0.054(3) Uani 1 1 d . . . . .
H111 H 0.637837 -0.235331 0.539116 0.065 Uiso 1 1 calc R U . . .
C112 C 0.6199(5) -0.1711(6) 0.6015(3) 0.039(2) Uani 1 1 d . . . . .
C113 C 0.6154(6) -0.2451(8) 0.6182(4) 0.057(3) Uani 1 1 d . . . . .
H113 H 0.650050 -0.274481 0.629573 0.069 Uiso 1 1 calc R U . . .
C114 C 0.5590(7) -0.2761(10) 0.6181(5) 0.076(5) Uani 1 1 d . . . . .
H114 H 0.555719 -0.324309 0.631170 0.091 Uiso 1 1 calc R U . . .
C115 C 0.5075(6) -0.2363(11) 0.5988(5) 0.074(4) Uani 1 1 d . . . . .
H115 H 0.469753 -0.260009 0.596571 0.089 Uiso 1 1 calc R U . . .
C116 C 0.5126(6) -0.1638(9) 0.5834(5) 0.066(4) Uani 1 1 d . . . . .
H116 H 0.477969 -0.134855 0.571747 0.079 Uiso 1 1 calc R U . . .
C117 C 0.5677(5) -0.1308(7) 0.5843(4) 0.049(3) Uani 1 1 d . . . . .
H117 H 0.570086 -0.079942 0.573083 0.059 Uiso 1 1 calc R U . . .
C118 C 0.7487(5) -0.1996(6) 0.6233(3) 0.039(2) Uani 1 1 d . . . . .
H11A H 0.736751 -0.230367 0.643058 0.047 Uiso 1 1 calc R U . . .
H11B H 0.760340 -0.237050 0.605680 0.047 Uiso 1 1 calc R U . . .
C119 C 0.8562(4) -0.1694(7) 0.6824(3) 0.041(2) Uani 1 1 d . . . . .
C120 C 0.8953(5) -0.1198(8) 0.7075(4) 0.053(3) Uani 1 1 d . . . . .
H120 H 0.894179 -0.062952 0.704330 0.063 Uiso 1 1 calc R U . . .
C121 C 0.9362(6) -0.1552(11) 0.7373(4) 0.070(4) Uani 1 1 d . . . . .
H121 H 0.963055 -0.122438 0.754466 0.084 Uiso 1 1 calc R U . . .
C122 C 0.9367(6) -0.2388(10) 0.7415(4) 0.069(4) Uani 1 1 d . . . . .
H122 H 0.964038 -0.262204 0.761899 0.083 Uiso 1 1 calc R U . . .
C123 C 0.8999(6) -0.2874(9) 0.7176(5) 0.073(4) Uani 1 1 d . . . . .
H123 H 0.900823 -0.344040 0.721384 0.088 Uiso 1 1 calc R U . . .
C124 C 0.8592(6) -0.2525(8) 0.6862(4) 0.059(3) Uani 1 1 d . . . . .
H124 H 0.834641 -0.286089 0.668287 0.071 Uiso 1 1 calc R U . . .
C125 C 0.8547(5) -0.1139(7) 0.6096(3) 0.045(2) Uani 1 1 d . . . . .
C126 C 0.8559(8) -0.1692(11) 0.5814(5) 0.075(5) Uani 1 1 d . . . . .
H126 H 0.831646 -0.215935 0.578383 0.091 Uiso 1 1 calc R U . . .
C127 C 0.8931(9) -0.1554(14) 0.5576(6) 0.100(7) Uani 1 1 d . . . . .
H127 H 0.893350 -0.192151 0.538104 0.120 Uiso 1 1 calc R U . . .
C128 C 0.9282(8) -0.0903(11) 0.5623(5) 0.082(5) Uani 1 1 d . . . . .
H128 H 0.953347 -0.081891 0.546072 0.098 Uiso 1 1 calc R U . . .
C129 C 0.9290(7) -0.0344(9) 0.5905(6) 0.079(5) Uani 1 1 d . . . . .
H129 H 0.954693 0.010909 0.593624 0.095 Uiso 1 1 calc R U . . .
C130 C 0.8914(6) -0.0465(9) 0.6138(4) 0.061(3) Uani 1 1 d . . . . .
H130 H 0.890702 -0.008452 0.632731 0.073 Uiso 1 1 calc R U . . .
S1 S 0.48328(13) 0.07030(19) 0.69921(10) 0.0546(7) Uani 1 1 d . . . . .
F1 F 0.4036(7) 0.0400(9) 0.6375(4) 0.142(6) Uani 1 1 d . . . . .
F2 F 0.4183(6) -0.0605(8) 0.6764(3) 0.108(4) Uani 1 1 d . . . . .
F3 F 0.4818(5) -0.0322(7) 0.6445(3) 0.097(3) Uani 1 1 d . . . . .
O3 O 0.5054(6) 0.1312(6) 0.6782(4) 0.088(4) Uani 1 1 d . . . . .
O4 O 0.4372(5) 0.0955(9) 0.7169(4) 0.093(4) Uani 1 1 d . . . . .
O5 O 0.5283(4) 0.0200(6) 0.7217(3) 0.062(2) Uani 1 1 d . . . . .
C131 C 0.4445(6) 0.0000(8) 0.6631(4) 0.056(3) Uani 1 1 d . . . . .
S2 S 0.09140(19) 0.0751(2) 0.59182(10) 0.0713(10) Uani 1 1 d . . . . .
F4 F 0.2007(7) 0.0879(17) 0.5858(5) 0.191(10) Uani 1 1 d . . . . .
F5 F 0.1384(10) 0.1527(12) 0.5456(4) 0.180(9) Uani 1 1 d . . . . .
F6 F 0.1448(12) 0.0278(13) 0.5393(5) 0.190(9) Uani 1 1 d . . . . .
O6 O 0.1047(7) 0.1440(7) 0.6165(4) 0.094(4) Uani 1 1 d . . . . .
O7 O 0.0362(7) 0.0787(17) 0.5651(6) 0.178(11) Uani 1 1 d . . . . .
O8 O 0.1063(10) -0.0014(8) 0.6095(4) 0.122(7) Uani 1 1 d . . . . .
C132 C 0.1463(12) 0.0843(16) 0.5644(6) 0.110(8) Uani 1 1 d . . . . .
S3 S 0.7867(2) 0.5293(3) 0.59557(13) 0.0817(11) Uani 1 1 d . . . . .
F7 F 0.7074(8) 0.6036(11) 0.5458(5) 0.155(7) Uani 1 1 d . . . . .
F8 F 0.6829(9) 0.5846(15) 0.5981(5) 0.193(10) Uani 1 1 d . . . . .
F9 F 0.6802(7) 0.4863(11) 0.5601(5) 0.138(5) Uani 1 1 d . . . . .
O9 O 0.7811(9) 0.4685(11) 0.6218(4) 0.125(6) Uani 1 1 d . . . . .
O10 O 0.8063(7) 0.4978(8) 0.5642(4) 0.095(4) Uani 1 1 d . . . . .
O11 O 0.8100(8) 0.5988(10) 0.6113(5) 0.134(7) Uani 1 1 d . . . . .
C133 C 0.7093(11) 0.5533(14) 0.5741(6) 0.096(6) Uani 1 1 d . . . . .
S4 S 0.5003(2) 0.5685(3) 0.7368(2) 0.1063(17) Uani 1 1 d D U . . .
F10 F 0.5403(7) 0.5860(11) 0.6786(5) 0.152(5) Uani 1 1 d D U . . .
F11 F 0.5453(8) 0.4592(10) 0.6961(5) 0.154(6) Uani 1 1 d D U . . .
F12 F 0.4625(6) 0.5030(11) 0.6691(6) 0.152(5) Uani 1 1 d D U . . .
O12 O 0.5587(7) 0.5767(13) 0.7586(6) 0.150(6) Uani 1 1 d D U . . .
O13 O 0.4649(11) 0.6373(10) 0.7175(8) 0.190(8) Uani 1 1 d D U . . .
O14 O 0.4657(7) 0.5063(9) 0.7475(6) 0.130(6) Uani 1 1 d D U . . .
C134 C 0.5111(7) 0.5290(9) 0.6934(5) 0.110(3) Uani 1 1 d D U . . .
O15 O 0.6341(7) 0.1770(9) 0.4678(4) 0.100(4) Uiso 1 1 d . . . . .
C135 C 0.6528(15) 0.069(2) 0.4291(9) 0.146(10) Uiso 1 1 d . . . . .
H13A H 0.683830 0.033781 0.424481 0.219 Uiso 1 1 calc R U . . .
H13B H 0.633619 0.097509 0.406319 0.219 Uiso 1 1 calc R U . . .
H13C H 0.623442 0.037232 0.437657 0.219 Uiso 1 1 calc R U . . .
C136 C 0.6800(13) 0.1303(18) 0.4583(8) 0.130(9) Uiso 1 1 d . . . . .
H13D H 0.703365 0.102211 0.480461 0.156 Uiso 1 1 calc R U . . .
H13E H 0.706966 0.166303 0.448913 0.156 Uiso 1 1 calc R U . . .
C137 C 0.6602(10) 0.2333(14) 0.4966(6) 0.101(6) Uiso 1 1 d . . . . .
H13F H 0.684003 0.273624 0.486960 0.121 Uiso 1 1 calc R U . . .
H13G H 0.686817 0.204251 0.517273 0.121 Uiso 1 1 calc R U . . .
C138 C 0.6111(13) 0.2758(19) 0.5103(8) 0.132(9) Uiso 1 1 d . . . . .
H13H H 0.627466 0.323158 0.524965 0.198 Uiso 1 1 calc R U . . .
H13I H 0.594635 0.238570 0.525588 0.198 Uiso 1 1 calc R U . . .
H13J H 0.579736 0.292925 0.489117 0.198 Uiso 1 1 calc R U . . .
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -4.9801 6.2216 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 O1 75.2(3) . . ?
C1 Os1 P3 96.1(3) . . ?
O1 Os1 P3 159.09(19) . . ?
C1 Os1 P4 92.7(3) . . ?
O1 Os1 P4 89.5(2) . . ?
P3 Os1 P4 71.74(8) . . ?
C1 Os1 P1 102.2(3) . . ?
O1 Os1 P1 99.4(2) . . ?
P3 Os1 P1 101.07(8) . . ?
P4 Os1 P1 164.16(8) . . ?
C1 Os1 P2 168.6(3) . . ?
O1 Os1 P2 99.20(18) . . ?
P3 Os1 P2 92.33(8) . . ?
P4 Os1 P2 97.15(8) . . ?
P1 Os1 P2 68.60(8) . . ?
C60 P1 C54 99.2(5) . . ?
C60 P1 C53 107.0(5) . . ?
C54 P1 C53 107.0(4) . . ?
C60 P1 Os1 117.3(4) . . ?
C54 P1 Os1 127.7(3) . . ?
C53 P1 Os1 97.1(3) . . ?
C41 P2 C47 102.4(5) . . ?
C41 P2 C53 104.1(5) . . ?
C47 P2 C53 105.6(5) . . ?
C41 P2 Os1 127.5(3) . . ?
C47 P2 Os1 119.7(3) . . ?
C53 P2 Os1 93.8(3) . . ?
C29 P3 C35 98.1(4) . . ?
C29 P3 C28 106.2(5) . . ?
C35 P3 C28 106.4(4) . . ?
C29 P3 Os1 120.6(3) . . ?
C35 P3 Os1 127.3(3) . . ?
C28 P3 Os1 96.2(3) . . ?
C22 P4 C16 102.7(5) . . ?
C22 P4 C28 108.6(5) . . ?
C16 P4 C28 109.4(5) . . ?
C22 P4 Os1 120.2(3) . . ?
C16 P4 Os1 119.9(3) . . ?
C28 P4 Os1 95.3(3) . . ?
C3 O1 Os1 116.3(6) . . ?
C10 N1 C14 120.6(9) . . ?
C10 N1 C2 116.0(8) . . ?
C14 N1 C2 123.5(9) . . ?
C2 C1 Os1 117.2(7) . . ?
C2 C1 H1 121.4 . . ?
Os1 C1 H1 121.4 . . ?
C1 C2 C3 116.0(8) . . ?
C1 C2 N1 122.8(9) . . ?
C3 C2 N1 121.0(8) . . ?
O1 C3 C2 115.0(8) . . ?
O1 C3 C4 117.5(9) . . ?
C2 C3 C4 127.5(9) . . ?
C5 C4 C9 119.5(10) . . ?
C5 C4 C3 122.3(10) . . ?
C9 C4 C3 118.3(10) . . ?
C6 C5 C4 121.5(11) . . ?
C6 C5 H5 119.2 . . ?
C4 C5 H5 119.2 . . ?
C5 C6 C7 118.7(12) . . ?
C5 C6 H6 120.6 . . ?
C7 C6 H6 120.6 . . ?
C8 C7 C6 120.9(11) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 120.1(12) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C4 C9 C8 119.2(12) . . ?
C4 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
N1 C10 C11 121.7(11) . . ?
N1 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C12 C11 C10 119.3(13) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 C13 119.3(12) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 120.7(13) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
N1 C14 C13 118.4(12) . . ?
N1 C14 C15 119.6(10) . . ?
C13 C14 C15 122.0(12) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 119.1(9) . . ?
C21 C16 P4 123.2(8) . . ?
C17 C16 P4 117.6(8) . . ?
C18 C17 C16 119.9(12) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.7(14) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 119.4(11) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C19 C20 C21 120.9(12) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C16 119.9(12) . . ?
C20 C21 H21 120.0 . . ?
C16 C21 H21 120.0 . . ?
C27 C22 C23 120.0(10) . . ?
C27 C22 P4 121.2(8) . . ?
C23 C22 P4 118.6(8) . . ?
C22 C23 C24 119.4(12) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 120.4(13) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 119.5(12) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C27 C26 C25 120.1(13) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C22 120.4(12) . . ?
C26 C27 H27 119.8 . . ?
C22 C27 H27 119.8 . . ?
P4 C28 P3 95.0(5) . . ?
P4 C28 H28A 112.7 . . ?
P3 C28 H28A 112.7 . . ?
P4 C28 H28B 112.7 . . ?
P3 C28 H28B 112.7 . . ?
H28A C28 H28B 110.2 . . ?
C34 C29 C30 118.2(9) . . ?
C34 C29 P3 121.2(7) . . ?
C30 C29 P3 119.5(7) . . ?
C31 C30 C29 120.5(10) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C32 C31 C30 120.3(10) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C31 C32 C33 120.3(10) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C34 C33 C32 119.4(10) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C34 C29 121.2(10) . . ?
C33 C34 H34 119.4 . . ?
C29 C34 H34 119.4 . . ?
C40 C35 C36 119.0(9) . . ?
C40 C35 P3 123.2(7) . . ?
C36 C35 P3 117.8(7) . . ?
C37 C36 C35 120.6(9) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C36 C37 C38 120.5(10) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C37 C38 C39 118.7(9) . . ?
C37 C38 H38 120.7 . . ?
C39 C38 H38 120.7 . . ?
C40 C39 C38 121.3(10) . . ?
C40 C39 H39 119.4 . . ?
C38 C39 H39 119.4 . . ?
C39 C40 C35 119.9(10) . . ?
C39 C40 H40 120.0 . . ?
C35 C40 H40 120.0 . . ?
C46 C41 C42 118.2(10) . . ?
C46 C41 P2 121.4(8) . . ?
C42 C41 P2 120.4(8) . . ?
C43 C42 C41 122.4(12) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C42 C43 C44 119.1(14) . . ?
C42 C43 H43 120.5 . . ?
C44 C43 H43 120.5 . . ?
C45 C44 C43 119.1(12) . . ?
C45 C44 H44 120.4 . . ?
C43 C44 H44 120.4 . . ?
C44 C45 C46 120.4(13) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 120.8(13) . . ?
C41 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C48 C47 C52 119.6(10) . . ?
C48 C47 P2 121.8(9) . . ?
C52 C47 P2 118.6(8) . . ?
C47 C48 C49 122.2(12) . . ?
C47 C48 H48 118.9 . . ?
C49 C48 H48 118.9 . . ?
C48 C49 C50 118.3(12) . . ?
C48 C49 H49 120.8 . . ?
C50 C49 H49 120.8 . . ?
C51 C50 C49 120.2(12) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C50 C51 C52 120.4(12) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C47 C52 C51 119.3(11) . . ?
C47 C52 H52 120.3 . . ?
C51 C52 H52 120.3 . . ?
P1 C53 P2 95.7(4) . . ?
P1 C53 H53A 112.6 . . ?
P2 C53 H53A 112.6 . . ?
P1 C53 H53B 112.6 . . ?
P2 C53 H53B 112.6 . . ?
H53A C53 H53B 110.1 . . ?
C59 C54 C55 119.1(10) . . ?
C59 C54 P1 119.0(8) . . ?
C55 C54 P1 121.4(8) . . ?
C56 C55 C54 120.7(11) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C56 C57 119.5(12) . . ?
C55 C56 H56 120.3 . . ?
C57 C56 H56 120.3 . . ?
C58 C57 C56 120.2(12) . . ?
C58 C57 H57 119.9 . . ?
C56 C57 H57 119.9 . . ?
C57 C58 C59 118.8(12) . . ?
C57 C58 H58 120.6 . . ?
C59 C58 H58 120.6 . . ?
C54 C59 C58 121.6(11) . . ?
C54 C59 H59 119.2 . . ?
C58 C59 H59 119.2 . . ?
C65 C60 C61 119.3(10) . . ?
C65 C60 P1 117.8(8) . . ?
C61 C60 P1 122.5(9) . . ?
C62 C61 C60 119.1(12) . . ?
C62 C61 H61 120.4 . . ?
C60 C61 H61 120.4 . . ?
C63 C62 C61 121.1(12) . . ?
C63 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C62 C63 C64 120.3(12) . . ?
C62 C63 H63 119.9 . . ?
C64 C63 H63 119.9 . . ?
C63 C64 C65 118.8(14) . . ?
C63 C64 H64 120.6 . . ?
C65 C64 H64 120.6 . . ?
C60 C65 C64 121.2(12) . . ?
C60 C65 H65 119.4 . . ?
C64 C65 H65 119.4 . . ?
C66 Os2 O2 75.5(4) . . ?
C66 Os2 P7 96.2(3) . . ?
O2 Os2 P7 160.73(19) . . ?
C66 Os2 P8 91.9(3) . . ?
O2 Os2 P8 91.70(19) . . ?
P7 Os2 P8 70.98(8) . . ?
C66 Os2 P5 103.1(3) . . ?
O2 Os2 P5 97.04(19) . . ?
P7 Os2 P5 101.80(8) . . ?
P8 Os2 P5 164.19(8) . . ?
C66 Os2 P6 168.9(3) . . ?
O2 Os2 P6 97.50(19) . . ?
P7 Os2 P6 93.07(8) . . ?
P8 Os2 P6 97.01(8) . . ?
P5 Os2 P6 68.86(8) . . ?
C125 P5 C119 101.9(5) . . ?
C125 P5 C118 108.5(5) . . ?
C119 P5 C118 105.8(5) . . ?
C125 P5 Os2 112.9(4) . . ?
C119 P5 Os2 130.0(4) . . ?
C118 P5 Os2 96.2(3) . . ?
C112 P6 C106 101.3(5) . . ?
C112 P6 C118 105.4(5) . . ?
C106 P6 C118 104.0(5) . . ?
C112 P6 Os2 126.3(3) . . ?
C106 P6 Os2 122.1(4) . . ?
C118 P6 Os2 94.0(3) . . ?
C100 P7 C93 105.5(4) . . ?
C100 P7 C94 96.4(4) . . ?
C93 P7 C94 106.4(4) . . ?
C100 P7 Os2 128.7(3) . . ?
C93 P7 Os2 96.8(3) . . ?
C94 P7 Os2 120.8(3) . . ?
C87 P8 C81 99.6(5) . . ?
C87 P8 C93 108.0(5) . . ?
C81 P8 C93 109.2(5) . . ?
C87 P8 Os2 125.1(4) . . ?
C81 P8 Os2 119.6(3) . . ?
C93 P8 Os2 94.4(3) . . ?
C68 O2 Os2 116.6(6) . . ?
C75 N2 C79 120.0(10) . . ?
C75 N2 C67 116.1(9) . . ?
C79 N2 C67 123.8(10) . . ?
C67 C66 Os2 117.0(8) . . ?
C67 C66 H66 121.5 . . ?
Os2 C66 H66 121.5 . . ?
C66 C67 C68 115.8(9) . . ?
C66 C67 N2 122.6(10) . . ?
C68 C67 N2 121.3(9) . . ?
O2 C68 C67 115.1(9) . . ?
O2 C68 C69 116.3(10) . . ?
C67 C68 C69 128.4(9) . . ?
C70 C69 C74 119.2(12) . . ?
C70 C69 C68 123.3(11) . . ?
C74 C69 C68 117.5(10) . . ?
C71 C70 C69 122.1(14) . . ?
C71 C70 H70 119.0 . . ?
C69 C70 H70 119.0 . . ?
C70 C71 C72 118.0(15) . . ?
C70 C71 H71 121.0 . . ?
C72 C71 H71 121.0 . . ?
C73 C72 C71 121.7(14) . . ?
C73 C72 H72 119.2 . . ?
C71 C72 H72 119.2 . . ?
C72 C73 C74 120.7(15) . . ?
C72 C73 H73 119.6 . . ?
C74 C73 H73 119.6 . . ?
C69 C74 C73 118.2(14) . . ?
C69 C74 H74 120.9 . . ?
C73 C74 H74 120.9 . . ?
N2 C75 C76 123.2(13) . . ?
N2 C75 H75 118.4 . . ?
C76 C75 H75 118.4 . . ?
C77 C76 C75 117.4(15) . . ?
C77 C76 H76 121.3 . . ?
C75 C76 H76 121.3 . . ?
C76 C77 C78 119.8(13) . . ?
C76 C77 H77 120.1 . . ?
C78 C77 H77 120.1 . . ?
C79 C78 C77 122.0(14) . . ?
C79 C78 H78 119.0 . . ?
C77 C78 H78 119.0 . . ?
C78 C79 N2 117.6(13) . . ?
C78 C79 C80 122.4(12) . . ?
N2 C79 C80 119.9(11) . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C86 C81 C82 118.9(10) . . ?
C86 C81 P8 117.0(8) . . ?
C82 C81 P8 124.1(9) . . ?
C83 C82 C81 119.6(13) . . ?
C83 C82 H82 120.2 . . ?
C81 C82 H82 120.2 . . ?
C84 C83 C82 120.2(14) . . ?
C84 C83 H83 119.9 . . ?
C82 C83 H83 119.9 . . ?
C83 C84 C85 121.4(12) . . ?
C83 C84 H84 119.3 . . ?
C85 C84 H84 119.3 . . ?
C86 C85 C84 117.9(14) . . ?
C86 C85 H85 121.0 . . ?
C84 C85 H85 121.0 . . ?
C81 C86 C85 121.9(13) . . ?
C81 C86 H86 119.0 . . ?
C85 C86 H86 119.0 . . ?
C88 C87 C92 119.4(10) . . ?
C88 C87 P8 119.8(8) . . ?
C92 C87 P8 120.8(9) . . ?
C87 C88 C89 120.3(13) . . ?
C87 C88 H88 119.9 . . ?
C89 C88 H88 119.9 . . ?
C90 C89 C88 120.4(15) . . ?
C90 C89 H89 119.8 . . ?
C88 C89 H89 119.8 . . ?
C89 C90 C91 120.9(13) . . ?
C89 C90 H90 119.5 . . ?
C91 C90 H90 119.5 . . ?
C90 C91 C92 120.6(14) . . ?
C90 C91 H91 119.7 . . ?
C92 C91 H91 119.7 . . ?
C87 C92 C91 118.5(14) . . ?
C87 C92 H92 120.8 . . ?
C91 C92 H92 120.8 . . ?
P7 C93 P8 94.7(4) . . ?
P7 C93 H93A 112.8 . . ?
P8 C93 H93A 112.8 . . ?
P7 C93 H93B 112.8 . . ?
P8 C93 H93B 112.8 . . ?
H93A C93 H93B 110.2 . . ?
C99 C94 C95 119.6(10) . . ?
C99 C94 P7 120.8(8) . . ?
C95 C94 P7 119.1(7) . . ?
C96 C95 C94 120.0(10) . . ?
C96 C95 H95 120.0 . . ?
C94 C95 H95 120.0 . . ?
C95 C96 C97 120.0(11) . . ?
C95 C96 H96 120.0 . . ?
C97 C96 H96 120.0 . . ?
C98 C97 C96 120.4(11) . . ?
C98 C97 H97 119.8 . . ?
C96 C97 H97 119.8 . . ?
C97 C98 C99 120.8(12) . . ?
C97 C98 H98 119.6 . . ?
C99 C98 H98 119.6 . . ?
C98 C99 C94 119.3(11) . . ?
C98 C99 H99 120.4 . . ?
C94 C99 H99 120.4 . . ?
C105 C100 C101 119.1(9) . . ?
C105 C100 P7 122.3(8) . . ?
C101 C100 P7 118.2(7) . . ?
C102 C101 C100 120.5(10) . . ?
C102 C101 H101 119.7 . . ?
C100 C101 H101 119.7 . . ?
C101 C102 C103 119.6(10) . . ?
C101 C102 H102 120.2 . . ?
C103 C102 H102 120.2 . . ?
C104 C103 C102 119.8(10) . . ?
C104 C103 H103 120.1 . . ?
C102 C103 H103 120.1 . . ?
C103 C104 C105 121.7(11) . . ?
C103 C104 H104 119.1 . . ?
C105 C104 H104 119.1 . . ?
C104 C105 C100 119.3(10) . . ?
C104 C105 H105 120.4 . . ?
C100 C105 H105 120.4 . . ?
C107 C106 C111 117.4(11) . . ?
C107 C106 P6 120.4(9) . . ?
C111 C106 P6 122.2(9) . . ?
C106 C107 C108 121.2(13) . . ?
C106 C107 H107 119.4 . . ?
C108 C107 H107 119.4 . . ?
C109 C108 C107 119.5(14) . . ?
C109 C108 H108 120.3 . . ?
C107 C108 H108 120.3 . . ?
C110 C109 C108 120.2(12) . . ?
C110 C109 H109 119.9 . . ?
C108 C109 H109 119.9 . . ?
C109 C110 C111 120.0(13) . . ?
C109 C110 H110 120.0 . . ?
C111 C110 H110 120.0 . . ?
C110 C111 C106 121.7(13) . . ?
C110 C111 H111 119.2 . . ?
C106 C111 H111 119.2 . . ?
C113 C112 C117 118.5(10) . . ?
C113 C112 P6 122.7(9) . . ?
C117 C112 P6 118.8(8) . . ?
C112 C113 C114 119.3(13) . . ?
C112 C113 H113 120.3 . . ?
C114 C113 H113 120.3 . . ?
C115 C114 C113 120.6(13) . . ?
C115 C114 H114 119.7 . . ?
C113 C114 H114 119.7 . . ?
C116 C115 C114 119.0(12) . . ?
C116 C115 H115 120.5 . . ?
C114 C115 H115 120.5 . . ?
C115 C116 C117 121.1(14) . . ?
C115 C116 H116 119.5 . . ?
C117 C116 H116 119.5 . . ?
C116 C117 C112 121.2(12) . . ?
C116 C117 H117 119.4 . . ?
C112 C117 H117 119.4 . . ?
P5 C118 P6 95.0(5) . . ?
P5 C118 H11A 112.7 . . ?
P6 C118 H11A 112.7 . . ?
P5 C118 H11B 112.7 . . ?
P6 C118 H11B 112.7 . . ?
H11A C118 H11B 110.2 . . ?
C124 C119 C120 120.3(11) . . ?
C124 C119 P5 120.5(9) . . ?
C120 C119 P5 118.9(9) . . ?
C119 C120 C121 119.4(13) . . ?
C119 C120 H120 120.3 . . ?
C121 C120 H120 120.3 . . ?
C122 C121 C120 119.2(14) . . ?
C122 C121 H121 120.4 . . ?
C120 C121 H121 120.4 . . ?
C123 C122 C121 122.3(13) . . ?
C123 C122 H122 118.9 . . ?
C121 C122 H122 118.9 . . ?
C122 C123 C124 119.2(13) . . ?
C122 C123 H123 120.4 . . ?
C124 C123 H123 120.4 . . ?
C119 C124 C123 119.4(13) . . ?
C119 C124 H124 120.3 . . ?
C123 C124 H124 120.3 . . ?
C130 C125 C126 119.0(11) . . ?
C130 C125 P5 116.6(9) . . ?
C126 C125 P5 124.4(10) . . ?
C127 C126 C125 120.0(15) . . ?
C127 C126 H126 120.0 . . ?
C125 C126 H126 120.0 . . ?
C128 C127 C126 119.9(16) . . ?
C128 C127 H127 120.0 . . ?
C126 C127 H127 120.0 . . ?
C127 C128 C129 121.9(13) . . ?
C127 C128 H128 119.0 . . ?
C129 C128 H128 119.0 . . ?
C130 C129 C128 118.7(14) . . ?
C130 C129 H129 120.6 . . ?
C128 C129 H129 120.6 . . ?
C125 C130 C129 120.5(13) . . ?
C125 C130 H130 119.8 . . ?
C129 C130 H130 119.8 . . ?
O5 S1 O3 114.6(7) . . ?
O5 S1 O4 114.4(8) . . ?
O3 S1 O4 116.5(9) . . ?
O5 S1 C131 102.7(6) . . ?
O3 S1 C131 102.6(7) . . ?
O4 S1 C131 103.3(7) . . ?
F2 C131 F3 107.8(12) . . ?
F2 C131 F1 109.0(14) . . ?
F3 C131 F1 105.2(14) . . ?
F2 C131 S1 112.9(11) . . ?
F3 C131 S1 111.4(9) . . ?
F1 C131 S1 110.2(10) . . ?
O7 S2 O8 115.9(12) . . ?
O7 S2 O6 115.5(14) . . ?
O8 S2 O6 114.4(8) . . ?
O7 S2 C132 103.8(12) . . ?
O8 S2 C132 102.0(13) . . ?
O6 S2 C132 102.7(9) . . ?
F6 C132 F5 105(2) . . ?
F6 C132 F4 108(3) . . ?
F5 C132 F4 106(2) . . ?
F6 C132 S2 116.0(17) . . ?
F5 C132 S2 110(2) . . ?
F4 C132 S2 111.2(15) . . ?
O11 S3 O9 113.5(13) . . ?
O11 S3 O10 119.1(12) . . ?
O9 S3 O10 113.4(10) . . ?
O11 S3 C133 104.8(11) . . ?
O9 S3 C133 102.0(11) . . ?
O10 S3 C133 101.1(9) . . ?
F8 C133 F7 111(2) . . ?
F8 C133 F9 109(2) . . ?
F7 C133 F9 106.8(19) . . ?
F8 C133 S3 111.2(16) . . ?
F7 C133 S3 108.8(18) . . ?
F9 C133 S3 110.1(14) . . ?
O12 S4 O14 116.1(12) . . ?
O12 S4 O13 123.4(13) . . ?
O14 S4 O13 113.9(13) . . ?
O12 S4 C134 103.1(12) . . ?
O14 S4 C134 101.5(10) . . ?
O13 S4 C134 91.4(13) . . ?
F12 C134 F10 111.7(16) . . ?
F12 C134 F11 99.0(15) . . ?
F10 C134 F11 105.8(15) . . ?
F12 C134 S4 116.3(13) . . ?
F10 C134 S4 107.7(13) . . ?
F11 C134 S4 115.8(13) . . ?
C136 O15 C137 109.2(18) . . ?
C136 C135 H13A 109.5 . . ?
C136 C135 H13B 109.5 . . ?
H13A C135 H13B 109.5 . . ?
C136 C135 H13C 109.5 . . ?
H13A C135 H13C 109.5 . . ?
H13B C135 H13C 109.5 . . ?
O15 C136 C135 109(2) . . ?
O15 C136 H13D 109.8 . . ?
C135 C136 H13D 109.8 . . ?
O15 C136 H13E 109.8 . . ?
C135 C136 H13E 109.8 . . ?
H13D C136 H13E 108.2 . . ?
O15 C137 C138 109(2) . . ?
O15 C137 H13F 109.8 . . ?
C138 C137 H13F 109.8 . . ?
O15 C137 H13G 109.8 . . ?
C138 C137 H13G 109.8 . . ?
H13F C137 H13G 108.2 . . ?
C137 C138 H13H 109.5 . . ?
C137 C138 H13I 109.5 . . ?
H13H C138 H13I 109.5 . . ?
C137 C138 H13J 109.5 . . ?
H13H C138 H13J 109.5 . . ?
H13I C138 H13J 109.5 . . ?
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
Os1 C1 2.032(8) . ?
Os1 O1 2.168(7) . ?
Os1 P3 2.291(2) . ?
Os1 P4 2.340(2) . ?
Os1 P1 2.367(2) . ?
Os1 P2 2.452(2) . ?
P1 C60 1.808(10) . ?
P1 C54 1.818(10) . ?
P1 C53 1.823(10) . ?
P2 C41 1.824(9) . ?
P2 C47 1.830(10) . ?
P2 C53 1.841(10) . ?
P3 C29 1.825(9) . ?
P3 C35 1.828(9) . ?
P3 C28 1.854(10) . ?
P4 C22 1.810(10) . ?
P4 C16 1.817(9) . ?
P4 C28 1.825(10) . ?
O1 C3 1.274(11) . ?
N1 C10 1.357(14) . ?
N1 C14 1.371(14) . ?
N1 C2 1.457(11) . ?
C1 C2 1.360(13) . ?
C1 H1 0.9400 . ?
C2 C3 1.429(14) . ?
C3 C4 1.471(14) . ?
C4 C5 1.387(16) . ?
C4 C9 1.395(16) . ?
C5 C6 1.376(15) . ?
C5 H5 0.9400 . ?
C6 C7 1.39(2) . ?
C6 H6 0.9400 . ?
C7 C8 1.37(2) . ?
C7 H7 0.9400 . ?
C8 C9 1.402(16) . ?
C8 H8 0.9400 . ?
C9 H9 0.9400 . ?
C10 C11 1.371(15) . ?
C10 H10 0.9400 . ?
C11 C12 1.35(2) . ?
C11 H11 0.9400 . ?
C12 C13 1.41(2) . ?
C12 H12 0.9400 . ?
C13 C14 1.374(17) . ?
C13 H13 0.9400 . ?
C14 C15 1.47(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 C21 1.393(15) . ?
C16 C17 1.405(15) . ?
C17 C18 1.379(16) . ?
C17 H17 0.9400 . ?
C18 C19 1.38(2) . ?
C18 H18 0.9400 . ?
C19 C20 1.38(2) . ?
C19 H19 0.9400 . ?
C20 C21 1.383(17) . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C22 C27 1.385(15) . ?
C22 C23 1.399(15) . ?
C23 C24 1.408(16) . ?
C23 H23 0.9400 . ?
C24 C25 1.37(2) . ?
C24 H24 0.9400 . ?
C25 C26 1.42(2) . ?
C25 H25 0.9400 . ?
C26 C27 1.373(17) . ?
C26 H26 0.9400 . ?
C27 H27 0.9400 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C29 C34 1.387(14) . ?
C29 C30 1.402(13) . ?
C30 C31 1.384(15) . ?
C30 H30 0.9400 . ?
C31 C32 1.362(18) . ?
C31 H31 0.9400 . ?
C32 C33 1.398(18) . ?
C32 H32 0.9400 . ?
C33 C34 1.376(15) . ?
C33 H33 0.9400 . ?
C34 H34 0.9400 . ?
C35 C40 1.388(13) . ?
C35 C36 1.401(13) . ?
C36 C37 1.382(13) . ?
C36 H36 0.9400 . ?
C37 C38 1.388(15) . ?
C37 H37 0.9400 . ?
C38 C39 1.391(16) . ?
C38 H38 0.9400 . ?
C39 C40 1.384(15) . ?
C39 H39 0.9400 . ?
C40 H40 0.9400 . ?
C41 C46 1.374(15) . ?
C41 C42 1.381(16) . ?
C42 C43 1.371(17) . ?
C42 H42 0.9400 . ?
C43 C44 1.41(2) . ?
C43 H43 0.9400 . ?
C44 C45 1.37(2) . ?
C44 H44 0.9400 . ?
C45 C46 1.403(17) . ?
C45 H45 0.9400 . ?
C46 H46 0.9400 . ?
C47 C48 1.373(15) . ?
C47 C52 1.392(15) . ?
C48 C49 1.384(18) . ?
C48 H48 0.9400 . ?
C49 C50 1.40(2) . ?
C49 H49 0.9400 . ?
C50 C51 1.39(2) . ?
C50 H50 0.9400 . ?
C51 C52 1.396(16) . ?
C51 H51 0.9400 . ?
C52 H52 0.9400 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C54 C59 1.368(15) . ?
C54 C55 1.385(15) . ?
C55 C56 1.370(17) . ?
C55 H55 0.9400 . ?
C56 C57 1.40(2) . ?
C56 H56 0.9400 . ?
C57 C58 1.38(2) . ?
C57 H57 0.9400 . ?
C58 C59 1.384(18) . ?
C58 H58 0.9400 . ?
C59 H59 0.9400 . ?
C60 C65 1.380(16) . ?
C60 C61 1.399(15) . ?
C61 C62 1.385(16) . ?
C61 H61 0.9400 . ?
C62 C63 1.37(2) . ?
C62 H62 0.9400 . ?
C63 C64 1.39(2) . ?
C63 H63 0.9400 . ?
C64 C65 1.389(18) . ?
C64 H64 0.9400 . ?
C65 H65 0.9400 . ?
Os2 C66 2.034(10) . ?
Os2 O2 2.141(6) . ?
Os2 P7 2.297(2) . ?
Os2 P8 2.353(2) . ?
Os2 P5 2.372(2) . ?
Os2 P6 2.430(2) . ?
P5 C125 1.821(11) . ?
P5 C119 1.827(11) . ?
P5 C118 1.837(10) . ?
P6 C112 1.828(10) . ?
P6 C106 1.831(10) . ?
P6 C118 1.845(10) . ?
P7 C100 1.822(10) . ?
P7 C93 1.825(10) . ?
P7 C94 1.833(10) . ?
P8 C87 1.803(10) . ?
P8 C81 1.816(10) . ?
P8 C93 1.846(9) . ?
O2 C68 1.276(12) . ?
N2 C75 1.357(17) . ?
N2 C79 1.379(15) . ?
N2 C67 1.459(13) . ?
C66 C67 1.351(14) . ?
C66 H66 0.9400 . ?
C67 C68 1.427(15) . ?
C68 C69 1.472(15) . ?
C69 C70 1.385(17) . ?
C69 C74 1.408(19) . ?
C70 C71 1.382(18) . ?
C70 H70 0.9400 . ?
C71 C72 1.39(3) . ?
C71 H71 0.9400 . ?
C72 C73 1.36(3) . ?
C72 H72 0.9400 . ?
C73 C74 1.412(18) . ?
C73 H73 0.9400 . ?
C74 H74 0.9400 . ?
C75 C76 1.372(17) . ?
C75 H75 0.9400 . ?
C76 C77 1.37(2) . ?
C76 H76 0.9400 . ?
C77 C78 1.39(3) . ?
C77 H77 0.9400 . ?
C78 C79 1.372(18) . ?
C78 H78 0.9400 . ?
C79 C80 1.46(2) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C80 H80C 0.9700 . ?
C81 C86 1.369(17) . ?
C81 C82 1.409(16) . ?
C82 C83 1.390(18) . ?
C82 H82 0.9400 . ?
C83 C84 1.36(2) . ?
C83 H83 0.9400 . ?
C84 C85 1.40(2) . ?
C84 H84 0.9400 . ?
C85 C86 1.391(16) . ?
C85 H85 0.9400 . ?
C86 H86 0.9400 . ?
C87 C88 1.379(16) . ?
C87 C92 1.399(16) . ?
C88 C89 1.389(18) . ?
C88 H88 0.9400 . ?
C89 C90 1.35(2) . ?
C89 H89 0.9400 . ?
C90 C91 1.36(2) . ?
C90 H90 0.9400 . ?
C91 C92 1.409(19) . ?
C91 H91 0.9400 . ?
C92 H92 0.9400 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C94 C99 1.398(14) . ?
C94 C95 1.408(14) . ?
C95 C96 1.367(17) . ?
C95 H95 0.9400 . ?
C96 C97 1.39(2) . ?
C96 H96 0.9400 . ?
C97 C98 1.38(2) . ?
C97 H97 0.9400 . ?
C98 C99 1.375(16) . ?
C98 H98 0.9400 . ?
C99 H99 0.9400 . ?
C100 C105 1.393(14) . ?
C100 C101 1.394(14) . ?
C101 C102 1.378(15) . ?
C101 H101 0.9400 . ?
C102 C103 1.402(17) . ?
C102 H102 0.9400 . ?
C103 C104 1.346(18) . ?
C103 H103 0.9400 . ?
C104 C105 1.388(16) . ?
C104 H104 0.9400 . ?
C105 H105 0.9400 . ?
C106 C107 1.383(17) . ?
C106 C111 1.399(16) . ?
C107 C108 1.387(18) . ?
C107 H107 0.9400 . ?
C108 C109 1.38(2) . ?
C108 H108 0.9400 . ?
C109 C110 1.36(2) . ?
C109 H109 0.9400 . ?
C110 C111 1.366(18) . ?
C110 H110 0.9400 . ?
C111 H111 0.9400 . ?
C112 C113 1.377(16) . ?
C112 C117 1.385(16) . ?
C113 C114 1.397(18) . ?
C113 H113 0.9400 . ?
C114 C115 1.39(2) . ?
C114 H114 0.9400 . ?
C115 C116 1.34(2) . ?
C115 H115 0.9400 . ?
C116 C117 1.374(17) . ?
C116 H116 0.9400 . ?
C117 H117 0.9400 . ?
C118 H11A 0.9800 . ?
C118 H11B 0.9800 . ?
C119 C124 1.371(18) . ?
C119 C120 1.389(16) . ?
C120 C121 1.39(2) . ?
C120 H120 0.9400 . ?
C121 C122 1.38(2) . ?
C121 H121 0.9400 . ?
C122 C123 1.33(2) . ?
C122 H122 0.9400 . ?
C123 C124 1.424(19) . ?
C123 H123 0.9400 . ?
C124 H124 0.9400 . ?
C125 C130 1.379(17) . ?
C125 C126 1.390(18) . ?
C126 C127 1.39(2) . ?
C126 H126 0.9400 . ?
C127 C128 1.33(3) . ?
C127 H127 0.9400 . ?
C128 C129 1.39(3) . ?
C128 H128 0.9400 . ?
C129 C130 1.379(18) . ?
C129 H129 0.9400 . ?
C130 H130 0.9400 . ?
S1 O5 1.425(10) . ?
S1 O3 1.435(12) . ?
S1 O4 1.437(10) . ?
S1 C131 1.827(14) . ?
F1 C131 1.335(18) . ?
F2 C131 1.319(17) . ?
F3 C131 1.334(16) . ?
S2 O7 1.412(14) . ?
S2 O8 1.418(14) . ?
S2 O6 1.439(13) . ?
S2 C132 1.81(2) . ?
F4 C132 1.31(3) . ?
F5 C132 1.31(3) . ?
F6 C132 1.31(3) . ?
S3 O11 1.334(15) . ?
S3 O9 1.418(16) . ?
S3 O10 1.440(14) . ?
S3 C133 1.81(2) . ?
F7 C133 1.33(2) . ?
F8 C133 1.30(2) . ?
F9 C133 1.33(3) . ?
S4 O12 1.397(14) . ?
S4 O14 1.411(11) . ?
S4 O13 1.472(14) . ?
S4 C134 1.802(16) . ?
F10 C134 1.345(15) . ?
F11 C134 1.380(15) . ?
F12 C134 1.326(16) . ?
O15 C136 1.42(3) . ?
O15 C137 1.43(3) . ?
C135 C136 1.49(4) . ?
C135 H13A 0.9700 . ?
C135 H13B 0.9700 . ?
C135 H13C 0.9700 . ?
C136 H13D 0.9800 . ?
C136 H13E 0.9800 . ?
C137 C138 1.52(3) . ?
C137 H13F 0.9800 . ?
C137 H13G 0.9800 . ?
C138 H13H 0.9700 . ?
C138 H13I 0.9700 . ?
C138 H13J 0.9700 . ?
