#------------------------------------------------------------------------------
#$Date: 2023-05-05 02:59:55 +0300 (Fri, 05 May 2023) $
#$Revision: 283015 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/14/7131409.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_7131409
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         'C70 H63 Cl N2 O3 Os P3, Cl, 3(C H2 Cl2)'
_chemical_formula_sum            'C73 H69 Cl8 N2 O3 Os P3'
_chemical_formula_weight         1589.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-06-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-03-05 deposited with the CCDC.	2023-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.951(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9751(11)
_cell_length_b                   20.5087(17)
_cell_length_c                   26.253(2)
_cell_measurement_reflns_used    8337
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      67.08
_cell_measurement_theta_min      3.43
_cell_volume                     6858.8(10)
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            54402
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.074
_diffrn_reflns_theta_max         67.074
_diffrn_reflns_theta_min         2.753
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.431
_exptl_absorpt_correction_T_max  0.1642
_exptl_absorpt_correction_T_min  0.0549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1124 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.3343.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_description       block
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.534
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         11981
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0435P)²+8.9174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0882
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11686
_reflns_number_total             11981
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc00029j2.cif
_cod_data_source_block           czw_mr_111_8_20220611_0m
_cod_depositor_comments
'Adding full bibliography for 7131403--7131410.cif.'
_cod_original_cell_volume        6858.9(10)
_cod_database_code               7131409
_shelx_shelxl_version_number     2014/7
_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   0.524
_shelx_estimated_absorpt_t_min   0.383
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C00Q(H00Q)
2.b Secondary CH2 refined with riding coordinates:
 C01N(H01B,H01E), C02C(H02Q,H02R), C02D(H02M,H02N), C02F(H02G,H02H), C02H(H02O,
 H02P)
2.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00P(H00P),
 C00R(H00R), C00U(H00U), C00X(H00X), C00Z(H00Z), C010(H010), C013(H013),
 C015(H015), C016(H016), C017(H017), C019(H019), C01A(H01A), C01C(H01C),
 C01D(H01D), C01F(H01F), C01G(H01G), C01H(H01H), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R),
 C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X),
 C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022), C023(H023),
 C024(H024), C025(H025), C026(H026), C027(H027), C028(H028), C02A(H02D),
 C02B(H02E), C02E(H02F), C02G(H02I)
2.d Idealised Me refined as rotating group:
 C029(H02A,H02B,H02C), C02I(H02J,H02K,H02L)
2.e Idealised tetrahedral OH refined as rotating group:
 O00D(H00D)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.71855(2) 0.72331(2) 0.61630(2) 0.02351(6) Uani 1 1 d . . . . .
Cl4 Cl 0.82377(5) 0.70989(3) 0.54637(3) 0.02802(14) Uani 1 1 d . . . . .
Cl7 Cl 0.44264(6) 0.75585(4) 0.77946(3) 0.03370(15) Uani 1 1 d . . . . .
P004 P 0.80886(6) 0.59984(3) 0.76822(3) 0.02693(15) Uani 1 1 d . . . . .
P005 P 0.61874(5) 0.63262(3) 0.57117(3) 0.02512(15) Uani 1 1 d . . . . .
P006 P 0.85057(6) 0.79805(4) 0.65358(3) 0.02628(15) Uani 1 1 d . . . . .
Cl2 Cl 0.53165(7) 0.59192(5) 0.88102(3) 0.0460(2) Uani 1 1 d . . . . .
Cl3 Cl 0.37467(7) 0.52161(4) 0.80594(4) 0.0476(2) Uani 1 1 d . . . . .
Cl1 Cl 1.13087(8) 0.76760(5) 0.84262(4) 0.0533(2) Uani 1 1 d . . . . .
Cl6 Cl 1.02620(6) 0.58893(5) 0.52975(4) 0.0505(2) Uani 1 1 d . . . . .
Cl5 Cl 0.92032(11) 0.59812(8) 0.42138(4) 0.0847(5) Uani 1 1 d . . . . .
Cl Cl 1.25813(11) 0.65396(7) 0.87516(6) 0.0814(4) Uani 1 1 d . . . . .
O00D O 0.58578(16) 0.66000(10) 0.74114(8) 0.0297(4) Uani 1 1 d . . . . .
H00D H 0.5431 0.6852 0.7515 0.044 Uiso 1 1 calc R U . . .
O00E O 0.41018(17) 0.81761(11) 0.52894(9) 0.0355(5) Uani 1 1 d . . . . .
O00F O 0.34542(18) 0.79875(12) 0.60166(9) 0.0400(5) Uani 1 1 d . . . . .
N00G N 0.5195(2) 0.78809(13) 0.60543(10) 0.0305(5) Uani 1 1 d . . . . .
N00H N 0.6082(2) 0.79026(12) 0.58337(10) 0.0282(5) Uani 1 1 d . . . . .
C00I C 0.7561(2) 0.65443(13) 0.71718(11) 0.0260(6) Uani 1 1 d . . . . .
C00J C 0.8536(3) 0.93563(16) 0.63564(13) 0.0362(7) Uani 1 1 d . . . . .
H00J H 0.8163 0.9409 0.6632 0.043 Uiso 1 1 calc R U . . .
C00K C 0.5334(2) 0.70681(16) 0.42458(12) 0.0316(6) Uani 1 1 d . . . . .
H00K H 0.5018 0.7458 0.4095 0.038 Uiso 1 1 calc R U . . .
C00L C 0.7310(2) 0.85966(14) 0.71722(12) 0.0304(6) Uani 1 1 d . . . . .
H00L H 0.6891 0.8747 0.6857 0.036 Uiso 1 1 calc R U . . .
C00M C 0.6968(3) 0.90733(16) 0.49425(13) 0.0353(7) Uani 1 1 d . . . . .
H00M H 0.7348 0.9063 0.4667 0.042 Uiso 1 1 calc R U . . .
C00N C 0.8817(2) 0.80095(14) 0.76262(12) 0.0288(6) Uani 1 1 d . . . . .
H00N H 0.9431 0.7759 0.7623 0.035 Uiso 1 1 calc R U . . .
C00O C 0.4867(2) 0.61317(14) 0.58220(12) 0.0290(6) Uani 1 1 d . . . . .
C00P C 0.6246(2) 0.59254(15) 0.46867(12) 0.0283(6) Uani 1 1 d . . . . .
H00P H 0.6557 0.5533 0.4835 0.034 Uiso 1 1 calc R U . . .
C00Q C 0.6628(2) 0.69729(14) 0.72188(11) 0.0266(6) Uani 1 1 d . . . . .
H00Q H 0.6874 0.7333 0.7469 0.032 Uiso 1 1 calc R U . . .
C00R C 0.7936(2) 0.55009(14) 0.58823(11) 0.0285(6) Uani 1 1 d . . . . .
H00R H 0.8326 0.5888 0.5860 0.034 Uiso 1 1 calc R U . . .
C00S C 0.4206(3) 0.80356(15) 0.57391(13) 0.0336(7) Uani 1 1 d . . . . .
C00T C 0.6625(3) 0.96704(16) 0.51032(13) 0.0359(7) Uani 1 1 d . . . . .
C00U C 0.6288(2) 0.49564(15) 0.58673(12) 0.0309(6) Uani 1 1 d . . . . .
H00U H 0.5546 0.4969 0.5832 0.037 Uiso 1 1 calc R U . . .
C00V C 0.8358(2) 0.63913(14) 0.83112(12) 0.0301(6) Uani 1 1 d . . . . .
C00W C 0.6845(2) 0.55333(14) 0.58327(11) 0.0273(6) Uani 1 1 d . . . . .
C00X C 0.4030(2) 0.60231(15) 0.54139(12) 0.0312(6) Uani 1 1 d . . . . .
H00X H 0.4116 0.6100 0.5068 0.037 Uiso 1 1 calc R U . . .
C00Y C 0.8761(2) 0.87365(15) 0.62000(12) 0.0321(6) Uani 1 1 d . . . . .
C00Z C 0.5510(2) 0.69880(15) 0.47779(12) 0.0306(6) Uani 1 1 d . . . . .
H00Z H 0.5316 0.7324 0.4991 0.037 Uiso 1 1 calc R U . . .
C010 C 0.4719(2) 0.60211(15) 0.63306(12) 0.0312(6) Uani 1 1 d . . . . .
H010 H 0.5281 0.6097 0.6614 0.037 Uiso 1 1 calc R U . . .
C011 C 0.6209(2) 0.85047(14) 0.55851(11) 0.0283(6) Uani 1 1 d . . . . .
C012 C 0.5972(2) 0.64139(15) 0.50049(11) 0.0279(6) Uani 1 1 d . . . . .
C013 C 0.5309(2) 0.75422(14) 0.65238(11) 0.0294(6) Uani 1 1 d . . . . .
H013 H 0.4760 0.7508 0.6716 0.035 Uiso 1 1 calc R U . . .
C014 C 0.8230(2) 0.82397(14) 0.71624(11) 0.0285(6) Uani 1 1 d . . . . .
C015 C 0.6654(3) 0.50467(16) 0.72812(13) 0.0358(7) Uani 1 1 d . . . . .
H015 H 0.6646 0.5250 0.6955 0.043 Uiso 1 1 calc R U . . .
C016 C 0.6762(2) 0.84928(15) 0.51794(12) 0.0315(6) Uani 1 1 d . . . . .
H016 H 0.6998 0.8090 0.5065 0.038 Uiso 1 1 calc R U . . .
C017 C 0.8512(2) 0.81438(15) 0.80941(12) 0.0320(6) Uani 1 1 d . . . . .
H017 H 0.8921 0.7988 0.8409 0.038 Uiso 1 1 calc R U . . .
C018 C 0.9286(2) 0.56536(15) 0.75426(11) 0.0310(6) Uani 1 1 d . . . . .
C019 C 0.7949(2) 0.65973(13) 0.67290(11) 0.0258(6) Uani 1 1 d . . . . .
H019 H 0.8545 0.6354 0.6679 0.031 Uiso 1 1 calc R U . . .
C01A C 0.3068(2) 0.58035(16) 0.55075(13) 0.0347(7) Uani 1 1 d . . . . .
H01A H 0.2502 0.5731 0.5225 0.042 Uiso 1 1 calc R U . . .
C01B C 0.7232(2) 0.53168(14) 0.77318(12) 0.0311(6) Uani 1 1 d . . . . .
C01C C 0.5864(2) 0.90985(15) 0.57501(12) 0.0319(6) Uani 1 1 d . . . . .
H01C H 0.5489 0.9110 0.6028 0.038 Uiso 1 1 calc R U . . .
C01D C 1.0190(3) 0.71074(16) 0.65023(12) 0.0322(6) Uani 1 1 d . . . . .
H01D H 0.9687 0.6826 0.6303 0.039 Uiso 1 1 calc R U . . .
C01E C 0.9869(2) 0.76938(15) 0.66859(12) 0.0310(6) Uani 1 1 d . . . . .
C01F C 1.0632(3) 0.81065(17) 0.69728(12) 0.0358(7) Uani 1 1 d . . . . .
H01F H 1.0428 0.8517 0.7088 0.043 Uiso 1 1 calc R U . . .
C01G C 0.9348(3) 0.63645(18) 0.86279(13) 0.0401(7) Uani 1 1 d . . . . .
H01G H 0.9901 0.6138 0.8514 0.048 Uiso 1 1 calc R U . . .
C01H C 0.7552(2) 0.67239(15) 0.84868(12) 0.0314(6) Uani 1 1 d . . . . .
H01H H 0.6872 0.6745 0.8275 0.038 Uiso 1 1 calc R U . . .
C01I C 0.6273(2) 0.72631(13) 0.66856(12) 0.0268(6) Uani 1 1 d . . . . .
C01J C 0.6069(3) 0.96717(15) 0.55078(13) 0.0347(7) Uani 1 1 d . . . . .
H01J H 0.5825 1.0074 0.5620 0.042 Uiso 1 1 calc R U . . .
C01K C 1.1676(3) 0.79200(19) 0.70889(13) 0.0410(8) Uani 1 1 d . . . . .
H01K H 1.2181 0.8196 0.7293 0.049 Uiso 1 1 calc R U . . .
C01L C 0.6066(2) 0.60118(16) 0.41506(12) 0.0326(6) Uani 1 1 d . . . . .
H01L H 0.6252 0.5677 0.3935 0.039 Uiso 1 1 calc R U . . .
C01M C 0.9317(3) 0.50034(16) 0.73936(12) 0.0361(7) Uani 1 1 d . . . . .
H01M H 0.8716 0.4734 0.7379 0.043 Uiso 1 1 calc R U . . .
C01N C 0.2378(3) 0.80961(17) 0.57335(14) 0.0390(7) Uani 1 1 d . . . . .
H01B H 0.2384 0.8454 0.5481 0.047 Uiso 1 1 calc R U . . .
H01E H 0.1937 0.8238 0.5982 0.047 Uiso 1 1 calc R U . . .
C01O C 0.8857(3) 0.99046(17) 0.61112(15) 0.0450(8) Uani 1 1 d . . . . .
H01O H 0.8691 1.0329 0.6216 0.054 Uiso 1 1 calc R U . . .
C01P C 0.6816(3) 0.43640(15) 0.59541(12) 0.0346(7) Uani 1 1 d . . . . .
H01P H 0.6433 0.3975 0.5980 0.042 Uiso 1 1 calc R U . . .
C01Q C 0.7230(3) 0.50232(16) 0.82105(13) 0.0370(7) Uani 1 1 d . . . . .
H01Q H 0.7622 0.5208 0.8519 0.044 Uiso 1 1 calc R U . . .
C01R C 0.5615(2) 0.65827(16) 0.39296(12) 0.0328(6) Uani 1 1 d . . . . .
H01R H 0.5500 0.6642 0.3564 0.039 Uiso 1 1 calc R U . . .
C01S C 0.7012(2) 0.87302(15) 0.76422(13) 0.0337(7) Uani 1 1 d . . . . .
H01S H 0.6395 0.8977 0.7648 0.040 Uiso 1 1 calc R U . . .
C01T C 1.1987(3) 0.73272(19) 0.69071(14) 0.0417(8) Uani 1 1 d . . . . .
H01T H 1.2702 0.7197 0.6987 0.050 Uiso 1 1 calc R U . . .
C01U C 1.1245(3) 0.69286(17) 0.66080(13) 0.0380(7) Uani 1 1 d . . . . .
H01U H 1.1458 0.6531 0.6474 0.046 Uiso 1 1 calc R U . . .
C01V C 1.0179(3) 0.60444(16) 0.75689(13) 0.0365(7) Uani 1 1 d . . . . .
H01V H 1.0158 0.6491 0.7662 0.044 Uiso 1 1 calc R U . . .
C01W C 0.6648(3) 0.44562(16) 0.82307(14) 0.0413(8) Uani 1 1 d . . . . .
H01W H 0.6638 0.4256 0.8556 0.050 Uiso 1 1 calc R U . . .
C01X C 0.7742(3) 0.70229(16) 0.89674(13) 0.0344(7) Uani 1 1 d . . . . .
H01X H 0.7191 0.7249 0.9084 0.041 Uiso 1 1 calc R U . . .
C01Y C 0.7611(3) 0.85055(16) 0.81030(12) 0.0357(7) Uani 1 1 d . . . . .
H01Y H 0.7406 0.8599 0.8424 0.043 Uiso 1 1 calc R U . . .
C01Z C 0.9530(3) 0.6667(2) 0.91098(14) 0.0442(8) Uani 1 1 d . . . . .
H01Z H 1.0208 0.6648 0.9323 0.053 Uiso 1 1 calc R U . . .
C020 C 0.6086(3) 0.44767(17) 0.73104(14) 0.0412(8) Uani 1 1 d . . . . .
H020 H 0.5696 0.4289 0.7002 0.049 Uiso 1 1 calc R U . . .
C021 C 0.8730(3) 0.69961(17) 0.92811(12) 0.0363(7) Uani 1 1 d . . . . .
H021 H 0.8856 0.7202 0.9611 0.044 Uiso 1 1 calc R U . . .
C022 C 0.9309(3) 0.86679(18) 0.57915(13) 0.0422(8) Uani 1 1 d . . . . .
H022 H 0.9455 0.8245 0.5676 0.051 Uiso 1 1 calc R U . . .
C023 C 0.7896(3) 0.43387(16) 0.60032(13) 0.0367(7) Uani 1 1 d . . . . .
H023 H 0.8254 0.3934 0.6064 0.044 Uiso 1 1 calc R U . . .
C024 C 1.0232(3) 0.47478(18) 0.72653(14) 0.0420(8) Uani 1 1 d . . . . .
H024 H 1.0249 0.4308 0.7153 0.050 Uiso 1 1 calc R U . . .
C025 C 0.8451(3) 0.49073(16) 0.59639(12) 0.0342(7) Uani 1 1 d . . . . .
H025 H 0.9192 0.4890 0.5993 0.041 Uiso 1 1 calc R U . . .
C026 C 0.3760(3) 0.58018(16) 0.64239(13) 0.0359(7) Uani 1 1 d . . . . .
H026 H 0.3667 0.5728 0.6770 0.043 Uiso 1 1 calc R U . . .
C027 C 0.2934(2) 0.56905(16) 0.60114(14) 0.0358(7) Uani 1 1 d . . . . .
H027 H 0.2279 0.5537 0.6075 0.043 Uiso 1 1 calc R U . . .
C028 C 0.9638(3) 0.9213(2) 0.55557(15) 0.0491(9) Uani 1 1 d . . . . .
H028 H 1.0019 0.9163 0.5283 0.059 Uiso 1 1 calc R U . . .
C029 C 0.6876(3) 1.02993(17) 0.48519(15) 0.0450(8) Uani 1 1 d . . . . .
H02A H 0.6541 1.0297 0.4484 0.067 Uiso 1 1 calc R U . . .
H02B H 0.7638 1.0339 0.4882 0.067 Uiso 1 1 calc R U . . .
H02C H 0.6613 1.0669 0.5026 0.067 Uiso 1 1 calc R U . . .
C02A C 0.6083(3) 0.41818(16) 0.77808(15) 0.0409(8) Uani 1 1 d . . . . .
H02D H 0.5695 0.3792 0.7797 0.049 Uiso 1 1 calc R U . . .
C02B C 1.1094(3) 0.57774(19) 0.74591(14) 0.0413(8) Uani 1 1 d . . . . .
H02E H 1.1710 0.6036 0.7492 0.050 Uiso 1 1 calc R U . . .
C02C C 0.9065(3) 0.57997(18) 0.48473(13) 0.0390(7) Uani 1 1 d . . . . .
H02Q H 0.8811 0.5346 0.4861 0.047 Uiso 1 1 calc R U . . .
H02R H 0.8530 0.6093 0.4948 0.047 Uiso 1 1 calc R U . . .
C02D C 0.4677(3) 0.58603(17) 0.81532(14) 0.0393(7) Uani 1 1 d . . . . .
H02M H 0.5207 0.5784 0.7933 0.047 Uiso 1 1 calc R U . . .
H02N H 0.4317 0.6277 0.8044 0.047 Uiso 1 1 calc R U . . .
C02E C 0.9415(3) 0.98302(19) 0.57158(15) 0.0491(9) Uani 1 1 d . . . . .
H02F H 0.9644 1.0203 0.5554 0.059 Uiso 1 1 calc R U . . .
C02F C 0.1886(4) 0.7500(2) 0.54478(15) 0.0571(10) Uani 1 1 d . . . . .
H02G H 0.2104 0.7117 0.5672 0.068 Uiso 1 1 calc R U . . .
H02H H 0.1116 0.7541 0.5413 0.068 Uiso 1 1 calc R U . . .
C02G C 1.1111(3) 0.51343(19) 0.73019(14) 0.0432(8) Uani 1 1 d . . . . .
H02I H 1.1736 0.4958 0.7218 0.052 Uiso 1 1 calc R U . . .
C02H C 1.2595(4) 0.7370(3) 0.8622(2) 0.0630(11) Uani 1 1 d . . . . .
H02O H 1.3000 0.7450 0.8344 0.076 Uiso 1 1 calc R U . . .
H02P H 1.2947 0.7605 0.8937 0.076 Uiso 1 1 calc R U . . .
C02I C 0.2105(4) 0.7347(2) 0.4925(2) 0.0660(12) Uani 1 1 d . . . . .
H02J H 0.2070 0.7748 0.4719 0.099 Uiso 1 1 calc R U . . .
H02K H 0.1581 0.7036 0.4750 0.099 Uiso 1 1 calc R U . . .
H02L H 0.2807 0.7156 0.4960 0.099 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'
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'
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
P005 Os01 Cl4 82.71(2) . . ?
P006 Os01 Cl4 85.51(2) . . ?
P006 Os01 P005 165.83(3) . . ?
N00H Os01 Cl4 101.45(7) . . ?
N00H Os01 P005 92.41(8) . . ?
N00H Os01 P006 97.64(8) . . ?
N00H Os01 C019 156.83(11) . . ?
C019 Os01 Cl4 101.71(8) . . ?
C019 Os01 P005 90.33(8) . . ?
C019 Os01 P006 84.36(8) . . ?
C01I Os01 Cl4 174.32(8) . . ?
C01I Os01 P005 91.61(8) . . ?
C01I Os01 P006 100.06(9) . . ?
C01I Os01 N00H 79.03(11) . . ?
C01I Os01 C019 77.90(12) . . ?
C00I P004 C00V 112.75(14) . . ?
C00I P004 C018 108.43(14) . . ?
C00I P004 C01B 112.74(14) . . ?
C018 P004 C00V 109.55(15) . . ?
C01B P004 C00V 107.07(14) . . ?
C01B P004 C018 106.06(14) . . ?
C00O P005 Os01 120.95(10) . . ?
C00O P005 C00W 101.38(13) . . ?
C00W P005 Os01 113.88(10) . . ?
C012 P005 Os01 112.43(10) . . ?
C012 P005 C00O 102.35(14) . . ?
C012 P005 C00W 103.81(13) . . ?
C00Y P006 Os01 121.88(10) . . ?
C014 P006 Os01 108.08(10) . . ?
C014 P006 C00Y 105.62(14) . . ?
C014 P006 C01E 104.22(14) . . ?
C01E P006 Os01 118.28(10) . . ?
C01E P006 C00Y 96.82(14) . . ?
C00Q O00D H00D 109.5 . . ?
C00S O00F C01N 116.0(3) . . ?
N00H N00G C00S 118.6(2) . . ?
N00H N00G C013 115.3(2) . . ?
C013 N00G C00S 123.8(3) . . ?
N00G N00H Os01 111.80(18) . . ?
N00G N00H C011 113.5(2) . . ?
C011 N00H Os01 130.0(2) . . ?
C00Q C00I P004 120.1(2) . . ?
C019 C00I P004 122.9(2) . . ?
C019 C00I C00Q 117.0(3) . . ?
C00Y C00J H00J 119.8 . . ?
C00Y C00J C01O 120.3(3) . . ?
C01O C00J H00J 119.8 . . ?
C00Z C00K H00K 119.8 . . ?
C00Z C00K C01R 120.5(3) . . ?
C01R C00K H00K 119.8 . . ?
C014 C00L H00L 120.0 . . ?
C01S C00L H00L 120.0 . . ?
C01S C00L C014 120.0(3) . . ?
C00T C00M H00M 119.5 . . ?
C016 C00M H00M 119.5 . . ?
C016 C00M C00T 121.1(3) . . ?
C014 C00N H00N 119.8 . . ?
C017 C00N H00N 119.8 . . ?
C017 C00N C014 120.4(3) . . ?
C00X C00O P005 121.9(2) . . ?
C00X C00O C010 118.7(3) . . ?
C010 C00O P005 119.1(2) . . ?
C012 C00P H00P 120.0 . . ?
C012 C00P C01L 120.1(3) . . ?
C01L C00P H00P 120.0 . . ?
O00D C00Q C00I 109.9(2) . . ?
O00D C00Q H00Q 108.7 . . ?
O00D C00Q C01I 115.4(2) . . ?
C00I C00Q H00Q 108.7 . . ?
C01I C00Q C00I 105.1(2) . . ?
C01I C00Q H00Q 108.7 . . ?
C00W C00R H00R 119.8 . . ?
C025 C00R H00R 119.8 . . ?
C025 C00R C00W 120.4(3) . . ?
O00E C00S O00F 127.0(3) . . ?
O00E C00S N00G 123.2(3) . . ?
O00F C00S N00G 109.8(3) . . ?
C00M C00T C029 120.6(3) . . ?
C01J C00T C00M 118.3(3) . . ?
C01J C00T C029 121.1(3) . . ?
C00W C00U H00U 119.8 . . ?
C01P C00U H00U 119.8 . . ?
C01P C00U C00W 120.3(3) . . ?
C01G C00V P004 121.6(2) . . ?
C01G C00V C01H 119.0(3) . . ?
C01H C00V P004 119.4(2) . . ?
C00R C00W P005 119.2(2) . . ?
C00R C00W C00U 118.7(3) . . ?
C00U C00W P005 122.1(2) . . ?
C00O C00X H00X 119.6 . . ?
C00O C00X C01A 120.7(3) . . ?
C01A C00X H00X 119.6 . . ?
C00J C00Y P006 124.3(2) . . ?
C00J C00Y C022 119.0(3) . . ?
C022 C00Y P006 116.4(3) . . ?
C00K C00Z H00Z 119.8 . . ?
C00K C00Z C012 120.3(3) . . ?
C012 C00Z H00Z 119.8 . . ?
C00O C010 H010 119.7 . . ?
C026 C010 C00O 120.6(3) . . ?
C026 C010 H010 119.7 . . ?
C016 C011 N00H 117.2(3) . . ?
C016 C011 C01C 119.7(3) . . ?
C01C C011 N00H 122.9(3) . . ?
C00P C012 P005 122.0(2) . . ?
C00P C012 C00Z 119.1(3) . . ?
C00Z C012 P005 118.9(2) . . ?
N00G C013 H013 122.6 . . ?
C01I C013 N00G 114.8(3) . . ?
C01I C013 H013 122.6 . . ?
C00L C014 P006 118.7(2) . . ?
C00N C014 P006 121.4(2) . . ?
C00N C014 C00L 119.2(3) . . ?
C01B C015 H015 120.2 . . ?
C01B C015 C020 119.6(3) . . ?
C020 C015 H015 120.2 . . ?
C00M C016 C011 119.8(3) . . ?
C00M C016 H016 120.1 . . ?
C011 C016 H016 120.1 . . ?
C00N C017 H017 119.9 . . ?
C01Y C017 C00N 120.2(3) . . ?
C01Y C017 H017 119.9 . . ?
C01M C018 P004 120.2(3) . . ?
C01M C018 C01V 119.7(3) . . ?
C01V C018 P004 120.1(2) . . ?
Os01 C019 H019 121.4 . . ?
C00I C019 Os01 117.3(2) . . ?
C00I C019 H019 121.4 . . ?
C00X C01A H01A 119.9 . . ?
C027 C01A C00X 120.1(3) . . ?
C027 C01A H01A 119.9 . . ?
C015 C01B P004 119.2(2) . . ?
C015 C01B C01Q 120.2(3) . . ?
C01Q C01B P004 120.4(3) . . ?
C011 C01C H01C 120.1 . . ?
C01J C01C C011 119.8(3) . . ?
C01J C01C H01C 120.1 . . ?
C01E C01D H01D 119.8 . . ?
C01E C01D C01U 120.4(3) . . ?
C01U C01D H01D 119.8 . . ?
C01D C01E P006 122.9(2) . . ?
C01D C01E C01F 118.7(3) . . ?
C01F C01E P006 118.3(2) . . ?
C01E C01F H01F 119.6 . . ?
C01K C01F C01E 120.7(3) . . ?
C01K C01F H01F 119.6 . . ?
C00V C01G H01G 119.8 . . ?
C01Z C01G C00V 120.3(3) . . ?
C01Z C01G H01G 119.8 . . ?
C00V C01H H01H 119.9 . . ?
C01X C01H C00V 120.2(3) . . ?
C01X C01H H01H 119.9 . . ?
C00Q C01I Os01 120.9(2) . . ?
C013 C01I Os01 115.5(2) . . ?
C013 C01I C00Q 123.5(3) . . ?
C00T C01J H01J 119.3 . . ?
C01C C01J C00T 121.4(3) . . ?
C01C C01J H01J 119.3 . . ?
C01F C01K H01K 120.0 . . ?
C01F C01K C01T 120.0(3) . . ?
C01T C01K H01K 120.0 . . ?
C00P C01L H01L 119.8 . . ?
C01R C01L C00P 120.5(3) . . ?
C01R C01L H01L 119.8 . . ?
C018 C01M H01M 120.1 . . ?
C018 C01M C024 119.9(3) . . ?
C024 C01M H01M 120.1 . . ?
O00F C01N H01B 108.9 . . ?
O00F C01N H01E 108.9 . . ?
O00F C01N C02F 113.5(3) . . ?
H01B C01N H01E 107.7 . . ?
C02F C01N H01B 108.9 . . ?
C02F C01N H01E 108.9 . . ?
C00J C01O H01O 120.0 . . ?
C02E C01O C00J 120.1(3) . . ?
C02E C01O H01O 120.0 . . ?
C00U C01P H01P 119.8 . . ?
C023 C01P C00U 120.4(3) . . ?
C023 C01P H01P 119.8 . . ?
C01B C01Q H01Q 120.4 . . ?
C01W C01Q C01B 119.2(3) . . ?
C01W C01Q H01Q 120.4 . . ?
C00K C01R H01R 120.2 . . ?
C01L C01R C00K 119.6(3) . . ?
C01L C01R H01R 120.2 . . ?
C00L C01S H01S 119.8 . . ?
C01Y C01S C00L 120.4(3) . . ?
C01Y C01S H01S 119.8 . . ?
C01K C01T H01T 120.2 . . ?
C01U C01T C01K 119.5(3) . . ?
C01U C01T H01T 120.2 . . ?
C01D C01U H01U 119.7 . . ?
C01T C01U C01D 120.5(3) . . ?
C01T C01U H01U 119.7 . . ?
C018 C01V H01V 120.1 . . ?
C02B C01V C018 119.8(3) . . ?
C02B C01V H01V 120.1 . . ?
C01Q C01W H01W 119.7 . . ?
C02A C01W C01Q 120.6(3) . . ?
C02A C01W H01W 119.7 . . ?
C01H C01X H01X 119.7 . . ?
C01H C01X C021 120.6(3) . . ?
C021 C01X H01X 119.7 . . ?
C017 C01Y H01Y 120.1 . . ?
C01S C01Y C017 119.8(3) . . ?
C01S C01Y H01Y 120.1 . . ?
C01G C01Z H01Z 119.8 . . ?
C021 C01Z C01G 120.4(3) . . ?
C021 C01Z H01Z 119.8 . . ?
C015 C020 H020 119.6 . . ?
C02A C020 C015 120.7(3) . . ?
C02A C020 H020 119.6 . . ?
C01X C021 H021 120.3 . . ?
C01Z C021 C01X 119.5(3) . . ?
C01Z C021 H021 120.3 . . ?
C00Y C022 H022 119.8 . . ?
C028 C022 C00Y 120.3(3) . . ?
C028 C022 H022 119.8 . . ?
C01P C023 H023 120.2 . . ?
C01P C023 C025 119.6(3) . . ?
C025 C023 H023 120.2 . . ?
C01M C024 H024 120.1 . . ?
C02G C024 C01M 119.9(3) . . ?
C02G C024 H024 120.1 . . ?
C00R C025 H025 119.7 . . ?
C023 C025 C00R 120.5(3) . . ?
C023 C025 H025 119.7 . . ?
C010 C026 H026 120.0 . . ?
C010 C026 C027 120.0(3) . . ?
C027 C026 H026 120.0 . . ?
C01A C027 C026 119.9(3) . . ?
C01A C027 H027 120.1 . . ?
C026 C027 H027 120.1 . . ?
C022 C028 H028 119.9 . . ?
C02E C028 C022 120.2(3) . . ?
C02E C028 H028 119.9 . . ?
C00T C029 H02A 109.5 . . ?
C00T C029 H02B 109.5 . . ?
C00T C029 H02C 109.5 . . ?
H02A C029 H02B 109.5 . . ?
H02A C029 H02C 109.5 . . ?
H02B C029 H02C 109.5 . . ?
C01W C02A H02D 120.2 . . ?
C020 C02A C01W 119.7(3) . . ?
C020 C02A H02D 120.2 . . ?
C01V C02B H02E 120.0 . . ?
C02G C02B C01V 120.1(3) . . ?
C02G C02B H02E 120.0 . . ?
Cl6 C02C H02Q 109.2 . . ?
Cl6 C02C H02R 109.2 . . ?
Cl5 C02C Cl6 112.1(2) . . ?
Cl5 C02C H02Q 109.2 . . ?
Cl5 C02C H02R 109.2 . . ?
H02Q C02C H02R 107.9 . . ?
Cl2 C02D Cl3 111.50(18) . . ?
Cl2 C02D H02M 109.3 . . ?
Cl2 C02D H02N 109.3 . . ?
Cl3 C02D H02M 109.3 . . ?
Cl3 C02D H02N 109.3 . . ?
H02M C02D H02N 108.0 . . ?
C01O C02E H02F 120.0 . . ?
C028 C02E C01O 120.0(3) . . ?
C028 C02E H02F 120.0 . . ?
C01N C02F H02G 107.4 . . ?
C01N C02F H02H 107.4 . . ?
H02G C02F H02H 107.0 . . ?
C02I C02F C01N 119.5(4) . . ?
C02I C02F H02G 107.4 . . ?
C02I C02F H02H 107.4 . . ?
C024 C02G C02B 120.6(3) . . ?
C024 C02G H02I 119.7 . . ?
C02B C02G H02I 119.7 . . ?
Cl1 C02H H02O 109.4 . . ?
Cl1 C02H H02P 109.4 . . ?
Cl C02H Cl1 111.2(3) . . ?
Cl C02H H02O 109.4 . . ?
Cl C02H H02P 109.4 . . ?
H02O C02H H02P 108.0 . . ?
C02F C02I H02J 109.5 . . ?
C02F C02I H02K 109.5 . . ?
C02F C02I H02L 109.5 . . ?
H02J C02I H02K 109.5 . . ?
H02J C02I H02L 109.5 . . ?
H02K C02I H02L 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
Os01 Cl4 2.5025(7) . ?
Os01 P005 2.4409(7) . ?
Os01 P006 2.3674(8) . ?
Os01 N00H 2.052(3) . ?
Os01 C019 2.081(3) . ?
Os01 C01I 1.976(3) . ?
P004 C00I 1.780(3) . ?
P004 C00V 1.811(3) . ?
P004 C018 1.807(3) . ?
P004 C01B 1.806(3) . ?
P005 C00O 1.835(3) . ?
P005 C00W 1.836(3) . ?
P005 C012 1.832(3) . ?
P006 C00Y 1.844(3) . ?
P006 C014 1.828(3) . ?
P006 C01E 1.835(3) . ?
Cl2 C02D 1.770(4) . ?
Cl3 C02D 1.775(3) . ?
Cl1 C02H 1.765(5) . ?
Cl6 C02C 1.774(4) . ?
Cl5 C02C 1.747(3) . ?
Cl C02H 1.738(5) . ?
O00D H00D 0.8400 . ?
O00D C00Q 1.425(3) . ?
O00E C00S 1.198(4) . ?
O00F C00S 1.328(4) . ?
O00F C01N 1.469(4) . ?
N00G N00H 1.384(4) . ?
N00G C00S 1.424(4) . ?
N00G C013 1.398(4) . ?
N00H C011 1.421(4) . ?
C00I C00Q 1.520(4) . ?
C00I C019 1.356(4) . ?
C00J H00J 0.9500 . ?
C00J C00Y 1.384(5) . ?
C00J C01O 1.398(5) . ?
C00K H00K 0.9500 . ?
C00K C00Z 1.382(4) . ?
C00K C01R 1.389(5) . ?
C00L H00L 0.9500 . ?
C00L C014 1.405(4) . ?
C00L C01S 1.388(4) . ?
C00M H00M 0.9500 . ?
C00M C00T 1.395(5) . ?
C00M C016 1.392(4) . ?
C00N H00N 0.9500 . ?
C00N C014 1.390(4) . ?
C00N C017 1.388(4) . ?
C00O C00X 1.391(4) . ?
C00O C010 1.403(4) . ?
C00P H00P 0.9500 . ?
C00P C012 1.393(4) . ?
C00P C01L 1.394(4) . ?
C00Q H00Q 1.0000 . ?
C00Q C01I 1.510(4) . ?
C00R H00R 0.9500 . ?
C00R C00W 1.398(4) . ?
C00R C025 1.386(4) . ?
C00T C01J 1.393(5) . ?
C00T C029 1.512(4) . ?
C00U H00U 0.9500 . ?
C00U C00W 1.398(4) . ?
C00U C01P 1.392(5) . ?
C00V C01G 1.392(5) . ?
C00V C01H 1.398(4) . ?
C00X H00X 0.9500 . ?
C00X C01A 1.393(4) . ?
C00Y C022 1.402(5) . ?
C00Z H00Z 0.9500 . ?
C00Z C012 1.402(4) . ?
C010 H010 0.9500 . ?
C010 C026 1.389(4) . ?
C011 C016 1.393(4) . ?
C011 C01C 1.395(4) . ?
C013 H013 0.9500 . ?
C013 C01I 1.367(4) . ?
C015 H015 0.9500 . ?
C015 C01B 1.390(5) . ?
C015 C020 1.392(5) . ?
C016 H016 0.9500 . ?
C017 H017 0.9500 . ?
C017 C01Y 1.388(5) . ?
C018 C01M 1.392(5) . ?
C018 C01V 1.399(5) . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01A C027 1.386(5) . ?
C01B C01Q 1.394(5) . ?
C01C H01C 0.9500 . ?
C01C C01J 1.386(4) . ?
C01D H01D 0.9500 . ?
C01D C01E 1.389(5) . ?
C01D C01U 1.393(5) . ?
C01E C01F 1.407(5) . ?
C01F H01F 0.9500 . ?
C01F C01K 1.386(5) . ?
C01G H01G 0.9500 . ?
C01G C01Z 1.388(5) . ?
C01H H01H 0.9500 . ?
C01H C01X 1.382(5) . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?
C01K C01T 1.394(6) . ?
C01L H01L 0.9500 . ?
C01L C01R 1.386(5) . ?
C01M H01M 0.9500 . ?
C01M C024 1.397(5) . ?
C01N H01B 0.9900 . ?
C01N H01E 0.9900 . ?
C01N C02F 1.511(6) . ?
C01O H01O 0.9500 . ?
C01O C02E 1.382(6) . ?
C01P H01P 0.9500 . ?
C01P C023 1.383(5) . ?
C01Q H01Q 0.9500 . ?
C01Q C01W 1.393(5) . ?
C01R H01R 0.9500 . ?
C01S H01S 0.9500 . ?
C01S C01Y 1.386(5) . ?
C01T H01T 0.9500 . ?
C01T C01U 1.387(5) . ?
C01U H01U 0.9500 . ?
C01V H01V 0.9500 . ?
C01V C02B 1.387(5) . ?
C01W H01W 0.9500 . ?
C01W C02A 1.386(5) . ?
C01X H01X 0.9500 . ?
C01X C021 1.387(5) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C01Z C021 1.383(5) . ?
C020 H020 0.9500 . ?
C020 C02A 1.376(5) . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C022 C028 1.385(5) . ?
C023 H023 0.9500 . ?
C023 C025 1.385(5) . ?
C024 H024 0.9500 . ?
C024 C02G 1.377(6) . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C026 C027 1.390(5) . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C028 C02E 1.381(6) . ?
C029 H02A 0.9800 . ?
C029 H02B 0.9800 . ?
C029 H02C 0.9800 . ?
C02A H02D 0.9500 . ?
C02B H02E 0.9500 . ?
C02B C02G 1.383(6) . ?
C02C H02Q 0.9900 . ?
C02C H02R 0.9900 . ?
C02D H02M 0.9900 . ?
C02D H02N 0.9900 . ?
C02E H02F 0.9500 . ?
C02F H02G 0.9900 . ?
C02F H02H 0.9900 . ?
C02F C02I 1.488(6) . ?
C02G H02I 0.9500 . ?
C02H H02O 0.9900 . ?
C02H H02P 0.9900 . ?
C02I H02J 0.9800 . ?
C02I H02K 0.9800 . ?
C02I H02L 0.9800 . ?
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 C00O C00X 132.2(2) . . . . ?
Os01 P005 C00O C010 -54.7(3) . . . . ?
Os01 P005 C00W C00R -36.7(2) . . . . ?
Os01 P005 C00W C00U 144.6(2) . . . . ?
Os01 P005 C012 C00P 126.3(2) . . . . ?
Os01 P005 C012 C00Z -54.2(2) . . . . ?
Os01 P006 C00Y C00J 110.3(3) . . . . ?
Os01 P006 C00Y C022 -76.0(3) . . . . ?
Os01 P006 C014 C00L -64.8(2) . . . . ?
Os01 P006 C014 C00N 105.3(2) . . . . ?
Os01 P006 C01E C01D 12.9(3) . . . . ?
Os01 P006 C01E C01F -171.2(2) . . . . ?
Os01 N00H C011 C016 53.8(4) . . . . ?
Os01 N00H C011 C01C -122.3(3) . . . . ?
P004 C00I C00Q O00D -44.5(3) . . . . ?
P004 C00I C00Q C01I -169.3(2) . . . . ?
P004 C00I C019 Os01 177.38(14) . . . . ?
P004 C00V C01G C01Z -179.6(3) . . . . ?
P004 C00V C01H C01X 179.6(2) . . . . ?
P004 C018 C01M C024 177.3(3) . . . . ?
P004 C018 C01V C02B -179.7(3) . . . . ?
P004 C01B C01Q C01W -173.1(3) . . . . ?
P005 C00O C00X C01A 172.6(2) . . . . ?
P005 C00O C010 C026 -172.7(2) . . . . ?
P006 C00Y C022 C028 -172.7(3) . . . . ?
P006 C01E C01F C01K -178.8(3) . . . . ?
O00D C00Q C01I Os01 -136.5(2) . . . . ?
O00D C00Q C01I C013 41.5(4) . . . . ?
O00F C01N C02F C02I -83.4(5) . . . . ?
N00G N00H C011 C016 -153.1(3) . . . . ?
N00G N00H C011 C01C 30.9(4) . . . . ?
N00G C013 C01I Os01 -12.5(3) . . . . ?
N00G C013 C01I C00Q 169.5(3) . . . . ?
N00H N00G C00S O00E 1.0(5) . . . . ?
N00H N00G C00S O00F 179.9(3) . . . . ?
N00H N00G C013 C01I -2.2(4) . . . . ?
N00H C011 C016 C00M -176.0(3) . . . . ?
N00H C011 C01C C01J 176.2(3) . . . . ?
C00I P004 C00V C01G -125.1(3) . . . . ?
C00I P004 C00V C01H 55.6(3) . . . . ?
C00I P004 C018 C01M -108.4(3) . . . . ?
C00I P004 C018 C01V 69.7(3) . . . . ?
C00I P004 C01B C015 36.6(3) . . . . ?
C00I P004 C01B C01Q -149.9(2) . . . . ?
C00I C00Q C01I Os01 -15.2(3) . . . . ?
C00I C00Q C01I C013 162.8(3) . . . . ?
C00J C00Y C022 C028 1.3(5) . . . . ?
C00J C01O C02E C028 1.3(6) . . . . ?
C00K C00Z C012 P005 -179.8(2) . . . . ?
C00K C00Z C012 C00P -0.3(4) . . . . ?
C00L C01S C01Y C017 -0.2(5) . . . . ?
C00M C00T C01J C01C 0.5(5) . . . . ?
C00N C017 C01Y C01S 0.3(5) . . . . ?
C00O P005 C00W C00R -168.2(2) . . . . ?
C00O P005 C00W C00U 13.1(3) . . . . ?
C00O P005 C012 C00P -102.4(3) . . . . ?
C00O P005 C012 C00Z 77.1(2) . . . . ?
C00O C00X C01A C027 0.0(5) . . . . ?
C00O C010 C026 C027 -0.1(5) . . . . ?
C00P C01L C01R C00K -0.7(4) . . . . ?
C00Q C00I C019 Os01 -2.1(3) . . . . ?
C00S O00F C01N C02F 82.8(4) . . . . ?
C00S N00G N00H Os01 -148.5(2) . . . . ?
C00S N00G N00H C011 53.3(4) . . . . ?
C00S N00G C013 C01I 160.3(3) . . . . ?
C00T C00M C016 C011 -0.3(5) . . . . ?
C00U C01P C023 C025 -0.2(5) . . . . ?
C00V P004 C00I C00Q -50.6(3) . . . . ?
C00V P004 C00I C019 129.9(3) . . . . ?
C00V P004 C018 C01M 128.1(3) . . . . ?
C00V P004 C018 C01V -53.7(3) . . . . ?
C00V P004 C01B C015 161.2(2) . . . . ?
C00V P004 C01B C01Q -25.4(3) . . . . ?
C00V C01G C01Z C021 0.2(6) . . . . ?
C00V C01H C01X C021 -0.1(5) . . . . ?
C00W P005 C00O C00X -100.8(3) . . . . ?
C00W P005 C00O C010 72.3(3) . . . . ?
C00W P005 C012 C00P 2.8(3) . . . . ?
C00W P005 C012 C00Z -177.7(2) . . . . ?
C00W C00R C025 C023 -0.7(5) . . . . ?
C00W C00U C01P C023 -0.5(5) . . . . ?
C00X C00O C010 C026 0.6(4) . . . . ?
C00X C01A C027 C026 0.5(5) . . . . ?
C00Y P006 C014 C00L 67.1(3) . . . . ?
C00Y P006 C014 C00N -122.8(2) . . . . ?
C00Y P006 C01E C01D -119.1(3) . . . . ?
C00Y P006 C01E C01F 56.9(3) . . . . ?
C00Y C00J C01O C02E -1.0(5) . . . . ?
C00Y C022 C028 C02E -1.0(6) . . . . ?
C00Z C00K C01R C01L 0.7(5) . . . . ?
C010 C00O C00X C01A -0.6(4) . . . . ?
C010 C026 C027 C01A -0.5(5) . . . . ?
C011 C01C C01J C00T -0.6(5) . . . . ?
C012 P005 C00O C00X 6.2(3) . . . . ?
C012 P005 C00O C010 179.3(2) . . . . ?
C012 P005 C00W C00R 85.9(2) . . . . ?
C012 P005 C00W C00U -92.8(3) . . . . ?
C012 C00P C01L C01R 0.2(4) . . . . ?
C013 N00G N00H Os01 14.9(3) . . . . ?
C013 N00G N00H C011 -143.3(3) . . . . ?
C013 N00G C00S O00E -161.0(3) . . . . ?
C013 N00G C00S O00F 18.0(4) . . . . ?
C014 P006 C00Y C00J -13.3(3) . . . . ?
C014 P006 C00Y C022 160.4(3) . . . . ?
C014 P006 C01E C01D 132.9(3) . . . . ?
C014 P006 C01E C01F -51.2(3) . . . . ?
C014 C00L C01S C01Y -0.9(5) . . . . ?
C014 C00N C017 C01Y 0.5(4) . . . . ?
C015 C01B C01Q C01W 0.3(5) . . . . ?
C015 C020 C02A C01W 0.2(5) . . . . ?
C016 C00M C00T C01J 0.0(5) . . . . ?
C016 C00M C00T C029 178.5(3) . . . . ?
C016 C011 C01C C01J 0.3(5) . . . . ?
C017 C00N C014 P006 -171.6(2) . . . . ?
C017 C00N C014 C00L -1.5(4) . . . . ?
C018 P004 C00I C00Q -172.1(2) . . . . ?
C018 P004 C00I C019 8.5(3) . . . . ?
C018 P004 C00V C01G -4.2(3) . . . . ?
C018 P004 C00V C01H 176.5(2) . . . . ?
C018 P004 C01B C015 -81.9(3) . . . . ?
C018 P004 C01B C01Q 91.6(3) . . . . ?
C018 C01M C024 C02G 2.0(5) . . . . ?
C018 C01V C02B C02G 2.8(5) . . . . ?
C019 C00I C00Q O00D 135.0(3) . . . . ?
C019 C00I C00Q C01I 10.1(3) . . . . ?
C01B P004 C00I C00Q 70.8(3) . . . . ?
C01B P004 C00I C019 -108.7(3) . . . . ?
C01B P004 C00V C01G 110.4(3) . . . . ?
C01B P004 C00V C01H -68.9(3) . . . . ?
C01B P004 C018 C01M 12.9(3) . . . . ?
C01B P004 C018 C01V -169.0(3) . . . . ?
C01B C015 C020 C02A 0.6(5) . . . . ?
C01B C01Q C01W C02A 0.6(5) . . . . ?
C01C C011 C016 C00M 0.2(5) . . . . ?
C01D C01E C01F C01K -2.7(5) . . . . ?
C01E P006 C00Y C00J -120.2(3) . . . . ?
C01E P006 C00Y C022 53.5(3) . . . . ?
C01E P006 C014 C00L 168.5(2) . . . . ?
C01E P006 C014 C00N -21.4(3) . . . . ?
C01E C01D C01U C01T 1.3(5) . . . . ?
C01E C01F C01K C01T 2.0(5) . . . . ?
C01F C01K C01T C01U 0.3(5) . . . . ?
C01G C00V C01H C01X 0.3(5) . . . . ?
C01G C01Z C021 C01X -0.1(6) . . . . ?
C01H C00V C01G C01Z -0.3(5) . . . . ?
C01H C01X C021 C01Z 0.0(5) . . . . ?
C01K C01T C01U C01D -2.0(5) . . . . ?
C01L C00P C012 P005 179.8(2) . . . . ?
C01L C00P C012 C00Z 0.3(4) . . . . ?
C01M C018 C01V C02B -1.6(5) . . . . ?
C01M C024 C02G C02B -0.8(5) . . . . ?
C01N O00F C00S O00E 2.4(5) . . . . ?
C01N O00F C00S N00G -176.5(3) . . . . ?
C01O C00J C00Y P006 173.2(3) . . . . ?
C01O C00J C00Y C022 -0.3(5) . . . . ?
C01P C00U C00W P005 179.3(2) . . . . ?
C01P C00U C00W C00R 0.5(4) . . . . ?
C01P C023 C025 C00R 0.8(5) . . . . ?
C01Q C01W C02A C020 -0.8(5) . . . . ?
C01R C00K C00Z C012 -0.2(4) . . . . ?
C01S C00L C014 P006 172.0(2) . . . . ?
C01S C00L C014 C00N 1.7(4) . . . . ?
C01U C01D C01E P006 176.9(2) . . . . ?
C01U C01D C01E C01F 1.0(5) . . . . ?
C01V C018 C01M C024 -0.8(5) . . . . ?
C01V C02B C02G C024 -1.7(5) . . . . ?
C020 C015 C01B P004 172.6(3) . . . . ?
C020 C015 C01B C01Q -0.9(5) . . . . ?
C022 C028 C02E C01O -0.3(6) . . . . ?
C025 C00R C00W P005 -178.8(2) . . . . ?
C025 C00R C00W C00U 0.0(4) . . . . ?
C029 C00T C01J C01C -178.0(3) . . . . ?
