#------------------------------------------------------------------------------
#$Date: 2023-05-05 02:59:55 +0300 (Fri, 05 May 2023) $
#$Revision: 283015 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/14/7131404.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_7131404
loop_
_publ_author_name
'Chu, Zhenwei'
'Li, Jinhua'
'Hua, Yuhui'
'Luo, Ming'
'Chen, Dafa'
'Xia, Haiping'
_publ_section_title
;
 Hetero-carbolong chemistry: experimental and theoretical studies of
 diaza-metallapentalenes.
;
_journal_issue                   28
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4173
_journal_page_last               4176
_journal_paper_doi               10.1039/d3cc00029j
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C66 H52 F N2 O Os P3, 2(F6 Sb), 2(C H2 Cl2)'
_chemical_formula_sum            'C68 H56 Cl4 F13 N2 O Os P3 Sb2'
_chemical_formula_weight         1832.55
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-11-04
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-01-02 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                98.994(2)
_cell_angle_beta                 98.356(2)
_cell_angle_gamma                94.226(4)
_cell_formula_units_Z            2
_cell_length_a                   11.7175(7)
_cell_length_b                   13.7798(8)
_cell_length_c                   21.3973(9)
_cell_measurement_reflns_used    2124
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      66.58
_cell_measurement_theta_min      24.54
_cell_volume                     3359.7(3)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'Apex3 (Bruker 2018)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2014'
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector                 'Bruker PHOTON II area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            46595
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        66.643
_diffrn_reflns_theta_max         66.643
_diffrn_reflns_theta_min         2.117
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.672
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0742 before and 0.0460 after correction.
The Ratio of minimum to maximum transmission is 0.6706.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.903
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         11820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0230
_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)+(0.0152P)²+7.3716P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0531
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11356
_reflns_number_total             11820
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc00029j2.cif
_cod_data_source_block           czw_mr_231_1_20221104_0m
_cod_depositor_comments
'Adding full bibliography for 7131403--7131410.cif.'
_cod_database_code               7131404
_shelx_shelxl_version_number     2019/2
_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.
;
_shelx_estimated_absorpt_t_max   0.631
_shelx_estimated_absorpt_t_min   0.430
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C02J(H02N,H02O), C02M(H02J,H02M)
2.b Aromatic/amide H refined with riding coordinates:
 C00Q(H00Q), C00T(H00T), C00U(H00U), C00W(H00W), C00Z(H00Z), C010(H010),
 C013(H013), C014(H014), C015(H015), C016(H016), C018(H018), C01A(H01A),
 C01B(H01B), C01D(H01D), C01E(H01E), C01G(H01G), C01H(H01H), C01I(H01I),
 C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q),
 C01R(H01R), C01S(H01S), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X),
 C01Y(H01Y), C01Z(H01Z), C020(H020), C022(H022), C023(H023), C024(H024),
 C025(H025), C026(H026), C027(H027), C028(H028), C029(H029), C02A(H02A),
 C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E), C02F(H02F), C02G(H02G),
 C02H(H02H), C02I(H02I), C02K(H02K), C02L(H02L)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
Os01 Os 0.61860(2) 0.59993(2) 0.23666(2) 0.01027(4) Uani 1 1 d . . . . .
Sb02 Sb 0.81414(2) 0.81616(2) 0.55500(2) 0.01674(5) Uani 1 1 d . . . . .
Sb03 Sb 0.30159(2) 0.24962(2) 0.01704(2) 0.01848(5) Uani 1 1 d . . . . .
P004 P 0.74770(6) 0.93368(5) 0.25228(3) 0.01247(14) Uani 1 1 d . . . . .
P005 P 0.82021(6) 0.56326(5) 0.24677(3) 0.01140(14) Uani 1 1 d . . . . .
P006 P 0.41886(6) 0.63901(5) 0.23543(3) 0.01223(14) Uani 1 1 d . . . . .
Cl3 Cl 0.81098(9) 0.37987(7) 0.53037(4) 0.0436(2) Uani 1 1 d . . . . .
Cl2 Cl 0.55896(10) 0.37800(8) 0.50569(5) 0.0495(2) Uani 1 1 d . . . . .
Cl1 Cl -0.13643(9) 0.05773(8) 0.01709(6) 0.0501(3) Uani 1 1 d . . . . .
Cl Cl -0.05790(10) 0.19915(7) 0.13443(6) 0.0531(3) Uani 1 1 d . . . . .
F00B F 0.37259(17) 0.12346(13) 0.25221(10) 0.0311(4) Uani 1 1 d . . . . .
F00C F 0.14635(16) 0.24457(15) -0.02353(9) 0.0322(4) Uani 1 1 d . . . . .
F00D F 0.28769(18) 0.37570(14) 0.06006(9) 0.0336(5) Uani 1 1 d . . . . .
F00E F 0.45555(16) 0.25477(15) 0.05797(9) 0.0316(4) Uani 1 1 d . . . . .
F00F F 0.35096(17) 0.30338(16) -0.05102(9) 0.0335(5) Uani 1 1 d . . . . .
N00G N 0.59021(19) 0.50328(17) 0.30027(11) 0.0134(5) Uani 1 1 d . . . . .
F00H F 0.8909(2) 0.94361(15) 0.57039(10) 0.0412(5) Uani 1 1 d . . . . .
F00I F 0.8689(2) 0.79960(16) 0.63843(9) 0.0434(6) Uani 1 1 d . . . . .
F00J F 0.7371(2) 0.68889(15) 0.53887(10) 0.0456(6) Uani 1 1 d . . . . .
F00K F 0.25030(19) 0.19411(17) 0.08415(10) 0.0401(5) Uani 1 1 d . . . . .
O00L O 0.54407(19) 0.47794(16) 0.10045(10) 0.0246(5) Uani 1 1 d . . . . .
F00M F 0.7611(3) 0.83202(17) 0.47124(10) 0.0565(7) Uani 1 1 d . . . . .
N00N N 0.6213(2) 0.53886(18) 0.36255(11) 0.0158(5) Uani 1 1 d . . . . .
F00O F 0.3134(2) 0.12360(15) -0.02669(11) 0.0447(6) Uani 1 1 d . . . . .
F00P F 0.9456(3) 0.7650(2) 0.52850(15) 0.0662(9) Uani 1 1 d . . . . .
C00Q C 0.6658(2) 0.7286(2) 0.21157(14) 0.0142(6) Uani 1 1 d . . . . .
H00Q H 0.663385 0.736449 0.168084 0.017 Uiso 1 1 calc R U . . .
F00R F 0.6833(2) 0.86606(19) 0.58179(15) 0.0620(8) Uani 1 1 d . . . . .
C00S C 0.6674(2) 0.6847(2) 0.32382(13) 0.0133(6) Uani 1 1 d . . . . .
C00T C 0.2355(2) 0.3721(2) 0.22016(14) 0.0174(6) Uani 1 1 d . . . . .
H00T H 0.223603 0.312363 0.190055 0.021 Uiso 1 1 calc R U . . .
C00U C 0.9970(2) 0.7125(2) 0.25370(15) 0.0173(6) Uani 1 1 d . . . . .
H00U H 0.989814 0.690998 0.208777 0.021 Uiso 1 1 calc R U . . .
C00V C 0.9266(2) 0.6650(2) 0.28921(13) 0.0134(6) Uani 1 1 d . . . . .
C00W C 0.7036(2) 0.7859(2) 0.32493(13) 0.0138(6) Uani 1 1 d . . . . .
H00W H 0.725253 0.832776 0.363200 0.017 Uiso 1 1 calc R U . . .
C00X C 0.7038(2) 0.8086(2) 0.26390(14) 0.0134(6) Uani 1 1 d . . . . .
C00Y C 0.8740(2) 0.5262(2) 0.17181(13) 0.0139(6) Uani 1 1 d . . . . .
C00Z C 0.2683(2) 0.5472(2) 0.30759(14) 0.0182(6) Uani 1 1 d . . . . .
H00Z H 0.278042 0.607311 0.337251 0.022 Uiso 1 1 calc R U . . .
C010 C 0.8190(2) 0.5459(2) 0.11364(14) 0.0168(6) Uani 1 1 d . . . . .
H010 H 0.754536 0.583881 0.112485 0.020 Uiso 1 1 calc R U . . .
C011 C 0.8876(2) 0.9471(2) 0.22715(14) 0.0156(6) Uani 1 1 d . . . . .
C012 C 0.8460(2) 0.4569(2) 0.28689(14) 0.0157(6) Uani 1 1 d . . . . .
C013 C 0.4051(3) 0.6839(2) 0.11047(14) 0.0198(6) Uani 1 1 d . . . . .
H013 H 0.486744 0.682062 0.115490 0.024 Uiso 1 1 calc R U . . .
C014 C 0.6629(2) 0.6347(2) 0.37490(13) 0.0151(6) Uani 1 1 d . . . . .
H014 H 0.688617 0.667315 0.417690 0.018 Uiso 1 1 calc R U . . .
C015 C 0.3047(2) 0.4518(2) 0.20942(14) 0.0164(6) Uani 1 1 d . . . . .
H015 H 0.340178 0.446556 0.171983 0.020 Uiso 1 1 calc R U . . .
C016 C 0.8301(3) 1.0074(2) 0.38035(14) 0.0173(6) Uani 1 1 d . . . . .
H016 H 0.891799 0.967234 0.375535 0.021 Uiso 1 1 calc R U . . .
C017 C 0.7459(2) 1.0128(2) 0.32715(13) 0.0143(6) Uani 1 1 d . . . . .
C018 C 0.9013(3) 0.8916(2) 0.16851(14) 0.0199(6) Uani 1 1 d . . . . .
H018 H 0.840908 0.844008 0.145502 0.024 Uiso 1 1 calc R U . . .
C019 C 0.5723(2) 0.5217(2) 0.15057(14) 0.0159(6) Uani 1 1 d . . . . .
C01A C 1.0125(3) 0.4405(2) 0.11713(14) 0.0184(6) Uani 1 1 d . . . . .
H01A H 1.079954 0.406133 0.118357 0.022 Uiso 1 1 calc R U . . .
C01B C 1.0776(3) 0.7909(2) 0.28356(16) 0.0216(6) Uani 1 1 d . . . . .
H01B H 1.125330 0.822360 0.258839 0.026 Uiso 1 1 calc R U . . .
C01C C 0.3452(2) 0.6635(2) 0.15921(14) 0.0154(6) Uani 1 1 d . . . . .
C01D C 0.9730(2) 0.4758(2) 0.17349(14) 0.0174(6) Uani 1 1 d . . . . .
H01D H 1.013427 0.465672 0.213386 0.021 Uiso 1 1 calc R U . . .
C01E C 0.9760(3) 1.0174(2) 0.26060(15) 0.0195(6) Uani 1 1 d . . . . .
H01E H 0.966353 1.055673 0.300097 0.023 Uiso 1 1 calc R U . . .
C01F C 0.4043(2) 0.7486(2) 0.29319(14) 0.0148(6) Uani 1 1 d . . . . .
C01G C 1.0033(3) 0.9066(2) 0.14423(15) 0.0242(7) Uani 1 1 d . . . . .
H01G H 1.013034 0.869107 0.104487 0.029 Uiso 1 1 calc R U . . .
C01H C 0.4295(3) 0.2723(2) 0.32416(15) 0.0218(7) Uani 1 1 d . . . . .
H01H H 0.394069 0.246082 0.355956 0.026 Uiso 1 1 calc R U . . .
C01I C 1.0915(3) 0.9763(3) 0.17786(16) 0.0260(7) Uani 1 1 d . . . . .
H01I H 1.161306 0.986451 0.160995 0.031 Uiso 1 1 calc R U . . .
C01J C 0.3226(2) 0.5400(2) 0.25341(14) 0.0143(6) Uani 1 1 d . . . . .
C01K C 0.6472(2) 0.9668(2) 0.18931(13) 0.0147(6) Uani 1 1 d . . . . .
C01L C 1.0780(3) 1.0312(2) 0.23601(16) 0.0245(7) Uani 1 1 d . . . . .
H01L H 1.138855 1.078396 0.259024 0.029 Uiso 1 1 calc R U . . .
C01M C 0.9537(3) 0.4555(2) 0.05898(14) 0.0189(6) Uani 1 1 d . . . . .
H01M H 0.978537 0.428454 0.020173 0.023 Uiso 1 1 calc R U . . .
C01N C 0.2246(3) 0.6651(2) 0.15100(14) 0.0185(6) Uani 1 1 d . . . . .
H01N H 0.182742 0.649731 0.183585 0.022 Uiso 1 1 calc R U . . .
C01O C 0.4788(3) 0.2497(2) 0.21671(15) 0.0198(6) Uani 1 1 d . . . . .
H01O H 0.477160 0.208642 0.176483 0.024 Uiso 1 1 calc R U . . .
C01P C 0.7315(3) 1.1192(2) 0.44635(16) 0.0255(7) Uani 1 1 d . . . . .
H01P H 0.725785 1.155235 0.487229 0.031 Uiso 1 1 calc R U . . .
C01Q C 0.4022(3) 0.9188(2) 0.38357(16) 0.0243(7) Uani 1 1 d . . . . .
H01Q H 0.403233 0.977018 0.414048 0.029 Uiso 1 1 calc R U . . .
C01R C 0.8224(3) 1.0611(2) 0.43973(15) 0.0222(7) Uani 1 1 d . . . . .
H01R H 0.879028 1.058245 0.475790 0.027 Uiso 1 1 calc R U . . .
C01S C 0.4840(2) 0.3674(2) 0.33655(14) 0.0178(6) Uani 1 1 d . . . . .
H01S H 0.485596 0.407625 0.377060 0.021 Uiso 1 1 calc R U . . .
C01T C 0.5367(2) 0.4042(2) 0.28923(14) 0.0148(6) Uani 1 1 d . . . . .
C01U C 0.4362(3) 0.8331(2) 0.40341(15) 0.0229(7) Uani 1 1 d . . . . .
H01U H 0.458994 0.831945 0.447732 0.027 Uiso 1 1 calc R U . . .
C01V C 0.5325(3) 0.3453(2) 0.22942(14) 0.0179(6) Uani 1 1 d . . . . .
H01V H 0.566836 0.370962 0.197086 0.021 Uiso 1 1 calc R U . . .
C01W C 0.1834(3) 0.3791(2) 0.27473(15) 0.0202(6) Uani 1 1 d . . . . .
H01W H 0.136536 0.324215 0.282294 0.024 Uiso 1 1 calc R U . . .
C01X C 0.4372(2) 0.7484(2) 0.35859(14) 0.0177(6) Uani 1 1 d . . . . .
H01X H 0.460569 0.689783 0.372632 0.021 Uiso 1 1 calc R U . . .
C01Y C 0.9375(2) 0.6998(2) 0.35525(14) 0.0165(6) Uani 1 1 d . . . . .
H01Y H 0.888852 0.669581 0.380075 0.020 Uiso 1 1 calc R U . . .
C01Z C 0.3670(2) 0.8347(2) 0.27411(15) 0.0181(6) Uani 1 1 d . . . . .
H01Z H 0.341663 0.835676 0.229996 0.022 Uiso 1 1 calc R U . . .
C020 C 0.6831(3) 1.0379(2) 0.15470(14) 0.0193(6) Uani 1 1 d . . . . .
H020 H 0.760925 1.067233 0.163755 0.023 Uiso 1 1 calc R U . . .
C021 C 0.4280(3) 0.2163(2) 0.26467(16) 0.0219(7) Uani 1 1 d . . . . .
C022 C 1.0190(3) 0.7781(2) 0.38464(15) 0.0205(6) Uani 1 1 d . . . . .
H022 H 1.026482 0.800397 0.429500 0.025 Uiso 1 1 calc R U . . .
C023 C 0.5337(3) 0.9231(2) 0.17506(16) 0.0227(7) Uani 1 1 d . . . . .
H023 H 0.508861 0.874006 0.198108 0.027 Uiso 1 1 calc R U . . .
C024 C 0.8054(3) 0.3640(2) 0.25135(15) 0.0217(6) Uani 1 1 d . . . . .
H024 H 0.768383 0.358545 0.208232 0.026 Uiso 1 1 calc R U . . .
C025 C 0.6556(3) 1.0716(2) 0.33431(15) 0.0200(6) Uani 1 1 d . . . . .
H025 H 0.598650 1.075280 0.298540 0.024 Uiso 1 1 calc R U . . .
C026 C 0.3456(3) 0.7071(2) 0.05428(15) 0.0257(7) Uani 1 1 d . . . . .
H026 H 0.386574 0.720368 0.020853 0.031 Uiso 1 1 calc R U . . .
C027 C 0.6055(3) 1.0658(2) 0.10715(15) 0.0233(7) Uani 1 1 d . . . . .
H027 H 0.629884 1.114806 0.083940 0.028 Uiso 1 1 calc R U . . .
C028 C 0.2001(3) 0.4668(2) 0.31811(14) 0.0195(6) Uani 1 1 d . . . . .
H028 H 0.164382 0.471712 0.355461 0.023 Uiso 1 1 calc R U . . .
C029 C 0.2271(3) 0.7109(2) 0.04733(16) 0.0267(7) Uani 1 1 d . . . . .
H029 H 0.186844 0.728339 0.009500 0.032 Uiso 1 1 calc R U . . .
C02A C 0.4924(3) 1.0223(2) 0.09336(15) 0.0234(7) Uani 1 1 d . . . . .
H02A H 0.439342 1.041588 0.060653 0.028 Uiso 1 1 calc R U . . .
C02B C 0.1667(3) 0.6892(2) 0.09534(15) 0.0230(7) Uani 1 1 d . . . . .
H02B H 0.085005 0.690998 0.089968 0.028 Uiso 1 1 calc R U . . .
C02C C 0.8586(3) 0.5097(2) 0.05728(14) 0.0211(6) Uani 1 1 d . . . . .
H02C H 0.820504 0.522177 0.017441 0.025 Uiso 1 1 calc R U . . .
C02D C 0.3666(3) 0.9192(2) 0.31907(17) 0.0236(7) Uani 1 1 d . . . . .
H02D H 0.341697 0.977608 0.305407 0.028 Uiso 1 1 calc R U . . .
C02E C 0.9015(3) 0.4631(2) 0.34954(15) 0.0215(6) Uani 1 1 d . . . . .
H02E H 0.930010 0.525727 0.374386 0.026 Uiso 1 1 calc R U . . .
C02F C 0.8186(3) 0.2796(2) 0.27814(17) 0.0278(7) Uani 1 1 d . . . . .
H02F H 0.790101 0.216730 0.253534 0.033 Uiso 1 1 calc R U . . .
C02G C 0.4567(3) 0.9514(2) 0.12688(16) 0.0270(7) Uani 1 1 d . . . . .
H02G H 0.379023 0.921611 0.117112 0.032 Uiso 1 1 calc R U . . .
C02H C 0.6495(3) 1.1251(2) 0.39431(17) 0.0277(7) Uani 1 1 d . . . . .
H02H H 0.588472 1.165865 0.399433 0.033 Uiso 1 1 calc R U . . .
C02I C 0.9154(3) 0.3780(3) 0.37606(16) 0.0270(7) Uani 1 1 d . . . . .
H02I H 0.954345 0.382962 0.418764 0.032 Uiso 1 1 calc R U . . .
C02J C -0.0201(4) 0.1377(3) 0.0627(2) 0.0452(10) Uani 1 1 d . . . . .
H02N H 0.004454 0.187094 0.037093 0.054 Uiso 1 1 calc R U . . .
H02O H 0.046299 0.099376 0.073115 0.054 Uiso 1 1 calc R U . . .
C02K C 1.0893(3) 0.8239(2) 0.34887(16) 0.0228(7) Uani 1 1 d . . . . .
H02K H 1.144981 0.877362 0.368982 0.027 Uiso 1 1 calc R U . . .
C02L C 0.8733(3) 0.2867(2) 0.34097(17) 0.0272(7) Uani 1 1 d . . . . .
H02L H 0.881721 0.228895 0.359632 0.033 Uiso 1 1 calc R U . . .
C02M C 0.6934(4) 0.4412(3) 0.5000(2) 0.0500(11) Uani 1 1 d . . . . .
H02J H 0.696753 0.445798 0.454592 0.060 Uiso 1 1 calc R U . . .
H02M H 0.699650 0.509114 0.524380 0.060 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'
Cl Cl 0.3639 0.7018 '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'
Sb Sb -0.0562 5.8946 '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
P006 Os01 P005 175.64(2) . . ?
N00G Os01 P005 88.91(6) . . ?
N00G Os01 P006 88.30(6) . . ?
C00Q Os01 P005 89.16(8) . . ?
C00Q Os01 P006 92.01(8) . . ?
C00Q Os01 N00G 155.80(10) . . ?
C00Q Os01 C00S 79.43(11) . . ?
C00S Os01 P005 84.95(8) . . ?
C00S Os01 P006 91.13(8) . . ?
C00S Os01 N00G 76.37(10) . . ?
C019 Os01 P005 95.12(8) . . ?
C019 Os01 P006 88.87(8) . . ?
C019 Os01 N00G 105.65(11) . . ?
C019 Os01 C00Q 98.55(12) . . ?
C019 Os01 C00S 177.97(12) . . ?
F00I Sb02 F00H 90.76(9) . . ?
F00I Sb02 F00J 89.74(9) . . ?
F00I Sb02 F00P 89.58(12) . . ?
F00J Sb02 F00H 179.50(9) . . ?
F00M Sb02 F00H 89.26(9) . . ?
F00M Sb02 F00I 179.26(13) . . ?
F00M Sb02 F00J 90.25(9) . . ?
F00M Sb02 F00P 89.68(14) . . ?
F00P Sb02 F00H 89.99(12) . . ?
F00P Sb02 F00J 89.96(13) . . ?
F00R Sb02 F00H 90.39(12) . . ?
F00R Sb02 F00I 90.05(12) . . ?
F00R Sb02 F00J 89.67(12) . . ?
F00R Sb02 F00M 90.70(14) . . ?
F00R Sb02 F00P 179.48(11) . . ?
F00D Sb03 F00C 88.75(9) . . ?
F00D Sb03 F00E 91.03(9) . . ?
F00D Sb03 F00F 90.59(9) . . ?
F00D Sb03 F00K 90.11(10) . . ?
F00E Sb03 F00C 179.57(9) . . ?
F00E Sb03 F00K 89.79(9) . . ?
F00F Sb03 F00C 89.44(9) . . ?
F00F Sb03 F00E 90.94(8) . . ?
F00F Sb03 F00K 178.98(10) . . ?
F00K Sb03 F00C 89.84(9) . . ?
F00O Sb03 F00C 90.45(10) . . ?
F00O Sb03 F00D 179.19(10) . . ?
F00O Sb03 F00E 89.78(10) . . ?
F00O Sb03 F00F 89.28(10) . . ?
F00O Sb03 F00K 90.01(10) . . ?
C011 P004 C00X 113.82(13) . . ?
C017 P004 C00X 106.32(13) . . ?
C017 P004 C011 111.06(13) . . ?
C01K P004 C00X 109.36(13) . . ?
C01K P004 C011 105.33(13) . . ?
C01K P004 C017 111.02(13) . . ?
C00V P005 Os01 115.27(9) . . ?
C00Y P005 Os01 115.81(9) . . ?
C00Y P005 C00V 103.40(13) . . ?
C00Y P005 C012 101.52(13) . . ?
C012 P005 Os01 112.63(9) . . ?
C012 P005 C00V 106.80(13) . . ?
C01C P006 Os01 115.56(10) . . ?
C01C P006 C01F 104.31(13) . . ?
C01C P006 C01J 103.18(13) . . ?
C01F P006 Os01 113.37(9) . . ?
C01J P006 Os01 113.70(9) . . ?
C01J P006 C01F 105.58(13) . . ?
N00N N00G Os01 116.72(18) . . ?
N00N N00G C01T 112.1(2) . . ?
C01T N00G Os01 131.09(18) . . ?
N00G N00N C014 113.7(2) . . ?
Os01 C00Q H00Q 122.4 . . ?
C00X C00Q Os01 115.3(2) . . ?
C00X C00Q H00Q 122.4 . . ?
C00W C00S Os01 116.7(2) . . ?
C014 C00S Os01 114.5(2) . . ?
C014 C00S C00W 128.7(3) . . ?
C015 C00T H00T 119.9 . . ?
C015 C00T C01W 120.2(3) . . ?
C01W C00T H00T 119.9 . . ?
C00V C00U H00U 119.8 . . ?
C01B C00U H00U 119.8 . . ?
C01B C00U C00V 120.4(3) . . ?
C00U C00V P005 118.3(2) . . ?
C00U C00V C01Y 118.5(3) . . ?
C01Y C00V P005 123.2(2) . . ?
C00S C00W H00W 123.7 . . ?
C00X C00W C00S 112.6(2) . . ?
C00X C00W H00W 123.7 . . ?
C00Q C00X P004 122.9(2) . . ?
C00W C00X P004 121.2(2) . . ?
C00W C00X C00Q 115.9(2) . . ?
C010 C00Y P005 122.2(2) . . ?
C010 C00Y C01D 119.6(3) . . ?
C01D C00Y P005 118.2(2) . . ?
C01J C00Z H00Z 120.0 . . ?
C028 C00Z H00Z 120.0 . . ?
C028 C00Z C01J 120.0(3) . . ?
C00Y C010 H010 120.1 . . ?
C02C C010 C00Y 119.8(3) . . ?
C02C C010 H010 120.1 . . ?
C018 C011 P004 117.6(2) . . ?
C01E C011 P004 122.0(2) . . ?
C01E C011 C018 120.1(3) . . ?
C024 C012 P005 116.7(2) . . ?
C02E C012 P005 124.6(2) . . ?
C02E C012 C024 118.7(3) . . ?
C01C C013 H013 119.9 . . ?
C01C C013 C026 120.2(3) . . ?
C026 C013 H013 119.9 . . ?
N00N C014 C00S 118.5(2) . . ?
N00N C014 H014 120.7 . . ?
C00S C014 H014 120.7 . . ?
C00T C015 H015 119.9 . . ?
C00T C015 C01J 120.3(3) . . ?
C01J C015 H015 119.9 . . ?
C017 C016 H016 120.2 . . ?
C01R C016 H016 120.2 . . ?
C01R C016 C017 119.6(3) . . ?
C016 C017 P004 119.4(2) . . ?
C025 C017 P004 120.2(2) . . ?
C025 C017 C016 120.1(3) . . ?
C011 C018 H018 120.2 . . ?
C01G C018 C011 119.6(3) . . ?
C01G C018 H018 120.2 . . ?
O00L C019 Os01 178.5(3) . . ?
C01D C01A H01A 120.0 . . ?
C01M C01A H01A 120.0 . . ?
C01M C01A C01D 119.9(3) . . ?
C00U C01B H01B 119.6 . . ?
C02K C01B C00U 120.9(3) . . ?
C02K C01B H01B 119.6 . . ?
C013 C01C P006 122.3(2) . . ?
C013 C01C C01N 119.4(3) . . ?
C01N C01C P006 118.2(2) . . ?
C00Y C01D H01D 119.9 . . ?
C01A C01D C00Y 120.2(3) . . ?
C01A C01D H01D 119.9 . . ?
C011 C01E H01E 120.1 . . ?
C01L C01E C011 119.7(3) . . ?
C01L C01E H01E 120.1 . . ?
C01X C01F P006 119.3(2) . . ?
C01Z C01F P006 122.2(2) . . ?
C01Z C01F C01X 118.4(3) . . ?
C018 C01G H01G 119.9 . . ?
C018 C01G C01I 120.2(3) . . ?
C01I C01G H01G 119.9 . . ?
C01S C01H H01H 120.8 . . ?
C021 C01H H01H 120.8 . . ?
C021 C01H C01S 118.5(3) . . ?
C01G C01I H01I 119.9 . . ?
C01L C01I C01G 120.2(3) . . ?
C01L C01I H01I 119.9 . . ?
C00Z C01J P006 124.3(2) . . ?
C00Z C01J C015 119.2(3) . . ?
C015 C01J P006 116.5(2) . . ?
C020 C01K P004 119.6(2) . . ?
C023 C01K P004 120.8(2) . . ?
C023 C01K C020 119.6(3) . . ?
C01E C01L C01I 120.2(3) . . ?
C01E C01L H01L 119.9 . . ?
C01I C01L H01L 119.9 . . ?
C01A C01M H01M 119.9 . . ?
C01A C01M C02C 120.1(3) . . ?
C02C C01M H01M 119.9 . . ?
C01C C01N H01N 120.1 . . ?
C02B C01N C01C 119.8(3) . . ?
C02B C01N H01N 120.1 . . ?
C01V C01O H01O 121.2 . . ?
C021 C01O H01O 121.2 . . ?
C021 C01O C01V 117.5(3) . . ?
C01R C01P H01P 119.6 . . ?
C02H C01P H01P 119.6 . . ?
C02H C01P C01R 120.7(3) . . ?
C01U C01Q H01Q 120.2 . . ?
C01U C01Q C02D 119.6(3) . . ?
C02D C01Q H01Q 120.2 . . ?
C016 C01R C01P 119.8(3) . . ?
C016 C01R H01R 120.1 . . ?
C01P C01R H01R 120.1 . . ?
C01H C01S H01S 120.1 . . ?
C01H C01S C01T 119.8(3) . . ?
C01T C01S H01S 120.1 . . ?
C01S C01T N00G 120.8(3) . . ?
C01V C01T N00G 119.4(3) . . ?
C01V C01T C01S 119.8(3) . . ?
C01Q C01U H01U 119.9 . . ?
C01Q C01U C01X 120.1(3) . . ?
C01X C01U H01U 119.9 . . ?
C01O C01V C01T 120.8(3) . . ?
C01O C01V H01V 119.6 . . ?
C01T C01V H01V 119.6 . . ?
C00T C01W H01W 120.2 . . ?
C028 C01W C00T 119.6(3) . . ?
C028 C01W H01W 120.2 . . ?
C01F C01X H01X 119.6 . . ?
C01U C01X C01F 120.8(3) . . ?
C01U C01X H01X 119.6 . . ?
C00V C01Y H01Y 119.7 . . ?
C022 C01Y C00V 120.5(3) . . ?
C022 C01Y H01Y 119.7 . . ?
C01F C01Z H01Z 119.7 . . ?
C02D C01Z C01F 120.6(3) . . ?
C02D C01Z H01Z 119.7 . . ?
C01K C020 H020 120.0 . . ?
C027 C020 C01K 120.0(3) . . ?
C027 C020 H020 120.0 . . ?
F00B C021 C01H 118.4(3) . . ?
F00B C021 C01O 118.1(3) . . ?
C01H C021 C01O 123.6(3) . . ?
C01Y C022 H022 119.8 . . ?
C02K C022 C01Y 120.4(3) . . ?
C02K C022 H022 119.8 . . ?
C01K C023 H023 120.1 . . ?
C01K C023 C02G 119.8(3) . . ?
C02G C023 H023 120.1 . . ?
C012 C024 H024 119.6 . . ?
C02F C024 C012 120.8(3) . . ?
C02F C024 H024 119.6 . . ?
C017 C025 H025 120.3 . . ?
C02H C025 C017 119.4(3) . . ?
C02H C025 H025 120.3 . . ?
C013 C026 H026 120.1 . . ?
C029 C026 C013 119.8(3) . . ?
C029 C026 H026 120.1 . . ?
C020 C027 H027 120.0 . . ?
C020 C027 C02A 120.1(3) . . ?
C02A C027 H027 120.0 . . ?
C00Z C028 C01W 120.7(3) . . ?
C00Z C028 H028 119.7 . . ?
C01W C028 H028 119.7 . . ?
C026 C029 H029 119.9 . . ?
C026 C029 C02B 120.2(3) . . ?
C02B C029 H029 119.9 . . ?
C027 C02A H02A 119.9 . . ?
C02G C02A C027 120.2(3) . . ?
C02G C02A H02A 119.9 . . ?
C01N C02B C029 120.4(3) . . ?
C01N C02B H02B 119.8 . . ?
C029 C02B H02B 119.8 . . ?
C010 C02C H02C 119.9 . . ?
C01M C02C C010 120.2(3) . . ?
C01M C02C H02C 119.9 . . ?
C01Q C02D C01Z 120.5(3) . . ?
C01Q C02D H02D 119.8 . . ?
C01Z C02D H02D 119.8 . . ?
C012 C02E H02E 119.8 . . ?
C012 C02E C02I 120.4(3) . . ?
C02I C02E H02E 119.8 . . ?
C024 C02F H02F 120.0 . . ?
C024 C02F C02L 120.1(3) . . ?
C02L C02F H02F 120.0 . . ?
C023 C02G H02G 119.9 . . ?
C02A C02G C023 120.3(3) . . ?
C02A C02G H02G 119.9 . . ?
C01P C02H C025 120.4(3) . . ?
C01P C02H H02H 119.8 . . ?
C025 C02H H02H 119.8 . . ?
C02E C02I H02I 119.7 . . ?
C02L C02I C02E 120.6(3) . . ?
C02L C02I H02I 119.7 . . ?
Cl1 C02J Cl 111.6(2) . . ?
Cl1 C02J H02N 109.3 . . ?
Cl1 C02J H02O 109.3 . . ?
Cl C02J H02N 109.3 . . ?
Cl C02J H02O 109.3 . . ?
H02N C02J H02O 108.0 . . ?
C01B C02K C022 119.3(3) . . ?
C01B C02K H02K 120.3 . . ?
C022 C02K H02K 120.3 . . ?
C02F C02L H02L 120.2 . . ?
C02I C02L C02F 119.6(3) . . ?
C02I C02L H02L 120.2 . . ?
Cl3 C02M Cl2 111.3(2) . . ?
Cl3 C02M H02J 109.4 . . ?
Cl3 C02M H02M 109.4 . . ?
Cl2 C02M H02J 109.4 . . ?
Cl2 C02M H02M 109.4 . . ?
H02J C02M H02M 108.0 . . ?
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
Os01 P005 2.4381(7) . ?
Os01 P006 2.4374(7) . ?
Os01 N00G 2.091(2) . ?
Os01 C00Q 1.994(3) . ?
Os01 C00S 2.020(3) . ?
Os01 C019 1.963(3) . ?
Sb02 F00H 1.8712(19) . ?
Sb02 F00I 1.8619(19) . ?
Sb02 F00J 1.8698(19) . ?
Sb02 F00M 1.862(2) . ?
Sb02 F00P 1.865(2) . ?
Sb02 F00R 1.854(2) . ?
Sb03 F00C 1.8896(18) . ?
Sb03 F00D 1.8648(19) . ?
Sb03 F00E 1.8787(18) . ?
Sb03 F00F 1.8769(18) . ?
Sb03 F00K 1.8801(19) . ?
Sb03 F00O 1.864(2) . ?
P004 C00X 1.827(3) . ?
P004 C011 1.804(3) . ?
P004 C017 1.795(3) . ?
P004 C01K 1.795(3) . ?
P005 C00V 1.833(3) . ?
P005 C00Y 1.821(3) . ?
P005 C012 1.833(3) . ?
P006 C01C 1.823(3) . ?
P006 C01F 1.831(3) . ?
P006 C01J 1.829(3) . ?
Cl3 C02M 1.765(4) . ?
Cl2 C02M 1.772(5) . ?
Cl1 C02J 1.755(5) . ?
Cl C02J 1.765(4) . ?
F00B C021 1.360(3) . ?
N00G N00N 1.333(3) . ?
N00G C01T 1.429(4) . ?
O00L C019 1.135(4) . ?
N00N C014 1.345(4) . ?
C00Q H00Q 0.9500 . ?
C00Q C00X 1.437(4) . ?
C00S C00W 1.423(4) . ?
C00S C014 1.385(4) . ?
C00T H00T 0.9500 . ?
C00T C015 1.386(4) . ?
C00T C01W 1.388(4) . ?
C00U H00U 0.9500 . ?
C00U C00V 1.395(4) . ?
C00U C01B 1.388(4) . ?
C00V C01Y 1.403(4) . ?
C00W H00W 0.9500 . ?
C00W C00X 1.390(4) . ?
C00Y C010 1.391(4) . ?
C00Y C01D 1.394(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C01J 1.396(4) . ?
C00Z C028 1.385(4) . ?
C010 H010 0.9500 . ?
C010 C02C 1.388(4) . ?
C011 C018 1.400(4) . ?
C011 C01E 1.394(4) . ?
C012 C024 1.395(4) . ?
C012 C02E 1.389(4) . ?
C013 H013 0.9500 . ?
C013 C01C 1.391(4) . ?
C013 C026 1.394(4) . ?
C014 H014 0.9500 . ?
C015 H015 0.9500 . ?
C015 C01J 1.397(4) . ?
C016 H016 0.9500 . ?
C016 C017 1.409(4) . ?
C016 C01R 1.386(4) . ?
C017 C025 1.391(4) . ?
C018 H018 0.9500 . ?
C018 C01G 1.386(4) . ?
C01A H01A 0.9500 . ?
C01A C01D 1.385(4) . ?
C01A C01M 1.385(4) . ?
C01B H01B 0.9500 . ?
C01B C02K 1.384(5) . ?
C01C C01N 1.401(4) . ?
C01D H01D 0.9500 . ?
C01E H01E 0.9500 . ?
C01E C01L 1.387(4) . ?
C01F C01X 1.397(4) . ?
C01F C01Z 1.393(4) . ?
C01G H01G 0.9500 . ?
C01G C01I 1.389(5) . ?
C01H H01H 0.9500 . ?
C01H C01S 1.384(4) . ?
C01H C021 1.378(5) . ?
C01I H01I 0.9500 . ?
C01I C01L 1.388(5) . ?
C01K C020 1.394(4) . ?
C01K C023 1.389(4) . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01M C02C 1.385(4) . ?
C01N H01N 0.9500 . ?
C01N C02B 1.382(4) . ?
C01O H01O 0.9500 . ?
C01O C01V 1.385(4) . ?
C01O C021 1.380(5) . ?
C01P H01P 0.9500 . ?
C01P C01R 1.388(5) . ?
C01P C02H 1.378(5) . ?
C01Q H01Q 0.9500 . ?
C01Q C01U 1.382(5) . ?
C01Q C02D 1.384(5) . ?
C01R H01R 0.9500 . ?
C01S H01S 0.9500 . ?
C01S C01T 1.400(4) . ?
C01T C01V 1.397(4) . ?
C01U H01U 0.9500 . ?
C01U C01X 1.391(4) . ?
C01V H01V 0.9500 . ?
C01W H01W 0.9500 . ?
C01W C028 1.386(5) . ?
C01X H01X 0.9500 . ?
C01Y H01Y 0.9500 . ?
C01Y C022 1.391(4) . ?
C01Z H01Z 0.9500 . ?
C01Z C02D 1.390(4) . ?
C020 H020 0.9500 . ?
C020 C027 1.383(4) . ?
C022 H022 0.9500 . ?
C022 C02K 1.386(5) . ?
C023 H023 0.9500 . ?
C023 C02G 1.392(4) . ?
C024 H024 0.9500 . ?
C024 C02F 1.383(4) . ?
C025 H025 0.9500 . ?
C025 C02H 1.391(5) . ?
C026 H026 0.9500 . ?
C026 C029 1.381(5) . ?
C027 H027 0.9500 . ?
C027 C02A 1.384(5) . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C029 C02B 1.386(5) . ?
C02A H02A 0.9500 . ?
C02A C02G 1.375(5) . ?
C02B H02B 0.9500 . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9500 . ?
C02E H02E 0.9500 . ?
C02E C02I 1.389(4) . ?
C02F H02F 0.9500 . ?
C02F C02L 1.388(5) . ?
C02G H02G 0.9500 . ?
C02H H02H 0.9500 . ?
C02I H02I 0.9500 . ?
C02I C02L 1.377(5) . ?
C02J H02N 0.9900 . ?
C02J H02O 0.9900 . ?
C02K H02K 0.9500 . ?
C02L H02L 0.9500 . ?
C02M H02J 0.9900 . ?
C02M H02M 0.9900 . ?
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
Os01 P005 C00V C00U -108.0(2) . . . . ?
Os01 P005 C00V C01Y 69.6(2) . . . . ?
Os01 P005 C00Y C010 19.0(3) . . . . ?
Os01 P005 C00Y C01D -160.46(19) . . . . ?
Os01 P005 C012 C024 74.2(2) . . . . ?
Os01 P005 C012 C02E -105.2(2) . . . . ?
Os01 P006 C01C C013 -16.1(3) . . . . ?
Os01 P006 C01C C01N 166.38(19) . . . . ?
Os01 P006 C01F C01X -62.5(2) . . . . ?
Os01 P006 C01F C01Z 114.0(2) . . . . ?
Os01 P006 C01J C00Z 114.8(2) . . . . ?
Os01 P006 C01J C015 -64.6(2) . . . . ?
Os01 N00G N00N C014 2.4(3) . . . . ?
Os01 N00G C01T C01S -153.2(2) . . . . ?
Os01 N00G C01T C01V 23.9(4) . . . . ?
Os01 C00Q C00X P004 -178.47(14) . . . . ?
Os01 C00Q C00X C00W 0.5(3) . . . . ?
Os01 C00S C00W C00X -2.7(3) . . . . ?
Os01 C00S C014 N00N -3.8(3) . . . . ?
P004 C011 C018 C01G 173.7(2) . . . . ?
P004 C011 C01E C01L -173.8(2) . . . . ?
P004 C017 C025 C02H 173.7(2) . . . . ?
P004 C01K C020 C027 -178.4(2) . . . . ?
P004 C01K C023 C02G 178.7(2) . . . . ?
P005 C00V C01Y C022 -179.2(2) . . . . ?
P005 C00Y C010 C02C -175.3(2) . . . . ?
P005 C00Y C01D C01A 175.7(2) . . . . ?
P005 C012 C024 C02F -178.5(2) . . . . ?
P005 C012 C02E C02I 179.1(2) . . . . ?
P006 C01C C01N C02B 176.1(2) . . . . ?
P006 C01F C01X C01U 174.7(2) . . . . ?
P006 C01F C01Z C02D -174.4(2) . . . . ?
N00G N00N C014 C00S 0.8(4) . . . . ?
N00G C01T C01V C01O -178.5(3) . . . . ?
N00N N00G C01T C01S 23.3(3) . . . . ?
N00N N00G C01T C01V -159.6(2) . . . . ?
C00S C00W C00X P004 -179.63(19) . . . . ?
C00S C00W C00X C00Q 1.4(3) . . . . ?
C00T C015 C01J P006 178.3(2) . . . . ?
C00T C015 C01J C00Z -1.2(4) . . . . ?
C00T C01W C028 C00Z -0.1(4) . . . . ?
C00U C00V C01Y C022 -1.7(4) . . . . ?
C00U C01B C02K C022 -0.4(5) . . . . ?
C00V P005 C00Y C010 -108.1(2) . . . . ?
C00V P005 C00Y C01D 72.5(2) . . . . ?
C00V P005 C012 C024 -158.3(2) . . . . ?
C00V P005 C012 C02E 22.3(3) . . . . ?
C00V C00U C01B C02K -0.3(4) . . . . ?
C00V C01Y C022 C02K 1.0(4) . . . . ?
C00W C00S C014 N00N 177.5(3) . . . . ?
C00X P004 C011 C018 61.7(3) . . . . ?
C00X P004 C011 C01E -125.2(2) . . . . ?
C00X P004 C017 C016 69.9(3) . . . . ?
C00X P004 C017 C025 -103.7(2) . . . . ?
C00X P004 C01K C020 -154.8(2) . . . . ?
C00X P004 C01K C023 25.8(3) . . . . ?
C00Y P005 C00V C00U 19.4(2) . . . . ?
C00Y P005 C00V C01Y -163.0(2) . . . . ?
C00Y P005 C012 C024 -50.3(3) . . . . ?
C00Y P005 C012 C02E 130.3(3) . . . . ?
C00Y C010 C02C C01M -0.9(5) . . . . ?
C010 C00Y C01D C01A -3.7(4) . . . . ?
C011 P004 C00X C00Q -74.0(3) . . . . ?
C011 P004 C00X C00W 107.1(2) . . . . ?
C011 P004 C017 C016 -54.4(3) . . . . ?
C011 P004 C017 C025 132.0(2) . . . . ?
C011 P004 C01K C020 -32.1(3) . . . . ?
C011 P004 C01K C023 148.5(2) . . . . ?
C011 C018 C01G C01I -0.1(5) . . . . ?
C011 C01E C01L C01I 0.9(5) . . . . ?
C012 P005 C00V C00U 126.1(2) . . . . ?
C012 P005 C00V C01Y -56.4(3) . . . . ?
C012 P005 C00Y C010 141.3(2) . . . . ?
C012 P005 C00Y C01D -38.1(3) . . . . ?
C012 C024 C02F C02L -0.4(5) . . . . ?
C012 C02E C02I C02L -0.8(5) . . . . ?
C013 C01C C01N C02B -1.5(4) . . . . ?
C013 C026 C029 C02B -1.6(5) . . . . ?
C014 C00S C00W C00X 176.0(3) . . . . ?
C015 C00T C01W C028 0.6(4) . . . . ?
C016 C017 C025 C02H 0.2(4) . . . . ?
C017 P004 C00X C00Q 163.4(2) . . . . ?
C017 P004 C00X C00W -15.5(3) . . . . ?
C017 P004 C011 C018 -178.4(2) . . . . ?
C017 P004 C011 C01E -5.3(3) . . . . ?
C017 P004 C01K C020 88.2(3) . . . . ?
C017 P004 C01K C023 -91.2(3) . . . . ?
C017 C016 C01R C01P 0.4(4) . . . . ?
C017 C025 C02H C01P -0.6(5) . . . . ?
C018 C011 C01E C01L -0.9(4) . . . . ?
C018 C01G C01I C01L 0.1(5) . . . . ?
C01A C01M C02C C010 -2.7(5) . . . . ?
C01B C00U C00V P005 179.0(2) . . . . ?
C01B C00U C00V C01Y 1.3(4) . . . . ?
C01C P006 C01F C01X 171.0(2) . . . . ?
C01C P006 C01F C01Z -12.5(3) . . . . ?
C01C P006 C01J C00Z -119.2(3) . . . . ?
C01C P006 C01J C015 61.3(2) . . . . ?
C01C C013 C026 C029 0.7(5) . . . . ?
C01C C01N C02B C029 0.6(5) . . . . ?
C01D C00Y C010 C02C 4.1(4) . . . . ?
C01D C01A C01M C02C 3.1(5) . . . . ?
C01E C011 C018 C01G 0.5(4) . . . . ?
C01F P006 C01C C013 109.1(3) . . . . ?
C01F P006 C01C C01N -68.5(2) . . . . ?
C01F P006 C01J C00Z -10.0(3) . . . . ?
C01F P006 C01J C015 170.5(2) . . . . ?
C01F C01Z C02D C01Q -0.6(4) . . . . ?
C01G C01I C01L C01E -0.6(5) . . . . ?
C01H C01S C01T N00G 178.0(3) . . . . ?
C01H C01S C01T C01V 1.0(4) . . . . ?
C01J P006 C01C C013 -140.8(2) . . . . ?
C01J P006 C01C C01N 41.7(3) . . . . ?
C01J P006 C01F C01X 62.6(2) . . . . ?
C01J P006 C01F C01Z -120.9(2) . . . . ?
C01J C00Z C028 C01W -1.1(4) . . . . ?
C01K P004 C00X C00Q 43.5(3) . . . . ?
C01K P004 C00X C00W -135.4(2) . . . . ?
C01K P004 C011 C018 -58.1(3) . . . . ?
C01K P004 C011 C01E 115.0(3) . . . . ?
C01K P004 C017 C016 -171.3(2) . . . . ?
C01K P004 C017 C025 15.1(3) . . . . ?
C01K C020 C027 C02A -0.7(5) . . . . ?
C01K C023 C02G C02A 0.1(5) . . . . ?
C01M C01A C01D C00Y 0.1(4) . . . . ?
C01Q C01U C01X C01F 0.1(4) . . . . ?
C01R C016 C017 P004 -173.7(2) . . . . ?
C01R C016 C017 C025 -0.1(4) . . . . ?
C01R C01P C02H C025 0.9(5) . . . . ?
C01S C01H C021 F00B -178.8(3) . . . . ?
C01S C01H C021 C01O 0.7(5) . . . . ?
C01S C01T C01V C01O -1.4(4) . . . . ?
C01T N00G N00N C014 -174.6(2) . . . . ?
C01U C01Q C02D C01Z -1.3(5) . . . . ?
C01V C01O C021 F00B 178.4(3) . . . . ?
C01V C01O C021 C01H -1.1(5) . . . . ?
C01W C00T C015 C01J 0.0(4) . . . . ?
C01X C01F C01Z C02D 2.2(4) . . . . ?
C01Y C022 C02K C01B 0.0(5) . . . . ?
C01Z C01F C01X C01U -1.9(4) . . . . ?
C020 C01K C023 C02G -0.7(5) . . . . ?
C020 C027 C02A C02G 0.1(5) . . . . ?
C021 C01H C01S C01T -0.6(4) . . . . ?
C021 C01O C01V C01T 1.4(4) . . . . ?
C023 C01K C020 C027 1.1(4) . . . . ?
C024 C012 C02E C02I -0.3(5) . . . . ?
C024 C02F C02L C02I -0.7(5) . . . . ?
C026 C013 C01C P006 -176.7(2) . . . . ?
C026 C013 C01C C01N 0.8(4) . . . . ?
C026 C029 C02B C01N 0.9(5) . . . . ?
C027 C02A C02G C023 0.3(5) . . . . ?
C028 C00Z C01J P006 -177.7(2) . . . . ?
C028 C00Z C01J C015 1.7(4) . . . . ?
C02D C01Q C01U C01X 1.5(5) . . . . ?
C02E C012 C024 C02F 1.0(5) . . . . ?
C02E C02I C02L C02F 1.3(5) . . . . ?
C02H C01P C01R C016 -0.8(5) . . . . ?
