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#$Date: 2022-10-07 17:35:44 +0300 (Fri, 07 Oct 2022) $
#$Revision: 278486 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/77/1567738.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_1567738
loop_
_publ_author_name
'Loginov, Dmitry A.'
'Dolgushin, Fedor M.'
'Konoplev, Vitalii E.'
'Tachaev, Maxim V.'
_publ_section_title
;
 New Aspects of Ruthenium-Mediated Polyhedral Contraction of
 Monocarbollides
;
_journal_issue                   10
_journal_name_full               Inorganics
_journal_page_first              158
_journal_paper_doi               10.3390/inorganics10100158
_journal_volume                  10
_journal_year                    2022
_chemical_formula_sum            'C44 H45 B8 Cl O P2 Ru2'
_chemical_formula_weight         975.81
_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   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                114.814(4)
_cell_angle_beta                 101.570(4)
_cell_angle_gamma                90.753(4)
_cell_formula_units_Z            4
_cell_length_a                   10.560(2)
_cell_length_b                   20.205(4)
_cell_length_c                   22.352(4)
_cell_measurement_reflns_used    957
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      2.5
_cell_volume                     4215.4(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0664
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            54553
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         1.817
_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_description       prism
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.460
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.792
_refine_diff_density_min         -0.643
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1102
_refine_ls_number_reflns         22374
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0300P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1000
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15232
_reflns_number_total             22374
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            4a.cif
_cod_data_source_block           igrum
_cod_database_code               1567738
_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_min   0.684
_shelx_estimated_absorpt_t_max   0.856
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
Ru1A Ru 0.10404(3) 0.28072(2) 0.77178(2) 0.01824(7) Uani 1 1 d . . . . .
Ru2A Ru 0.03596(3) 0.15262(2) 0.64043(2) 0.02138(7) Uani 1 1 d . . . . .
Cl1A Cl -0.10525(8) 0.31831(5) 0.79297(4) 0.02313(18) Uani 1 1 d . . . . .
P1A P 0.10117(9) 0.19410(5) 0.80842(4) 0.01991(19) Uani 1 1 d . . . . .
P2A P 0.22214(9) 0.37605(5) 0.86569(4) 0.01932(18) Uani 1 1 d . . . . .
O1A O 0.2678(3) 0.07538(14) 0.58978(14) 0.0364(7) Uani 1 1 d . . . . .
C1A C -0.0081(4) 0.21849(19) 0.58980(17) 0.0235(8) Uani 1 1 d . . . . .
B3A B 0.0895(4) 0.1613(2) 0.5512(2) 0.0261(9) Uani 1 1 d . . . . .
H3A H 0.047(3) 0.1208(17) 0.4989(16) 0.012(8) Uiso 1 1 d . . . . .
B4A B 0.1097(4) 0.2608(2) 0.5780(2) 0.0256(9) Uani 1 1 d . . . . .
H4A H 0.071(3) 0.2893(16) 0.5488(15) 0.009(8) Uiso 1 1 d . . . . .
B5A B 0.0818(4) 0.2733(2) 0.6613(2) 0.0214(8) Uani 1 1 d . . . . .
H5A H 0.053(3) 0.3198(19) 0.7029(18) 0.024(9) Uiso 1 1 d . . . . .
B6A B 0.2290(4) 0.1464(2) 0.6102(2) 0.0278(9) Uani 1 1 d . . . . .
B7A B 0.2508(4) 0.2129(2) 0.5734(2) 0.0287(10) Uani 1 1 d . . . . .
H7A H 0.296(3) 0.2065(18) 0.5332(17) 0.023(9) Uiso 1 1 d . . . . .
B8A B 0.2406(4) 0.2904(2) 0.6492(2) 0.0278(10) Uani 1 1 d . . . . .
H8A H 0.275(4) 0.349(2) 0.6713(19) 0.033(11) Uiso 1 1 d . . . . .
B9A B 0.2150(4) 0.2323(2) 0.6909(2) 0.0244(9) Uani 1 1 d . . . . .
H9A H 0.247(4) 0.255(2) 0.754(2) 0.044(12) Uiso 1 1 d . . . . .
B10A B 0.3377(5) 0.2249(2) 0.6508(2) 0.0288(10) Uani 1 1 d . . . . .
H10A H 0.444(4) 0.2260(19) 0.6658(18) 0.028(10) Uiso 1 1 d . . . . .
C11A C 0.4022(4) 0.0644(3) 0.5924(3) 0.0480(12) Uani 1 1 d . . . . .
H11B H 0.4094 0.0130 0.5634 0.072 Uiso 1 1 calc R U . . .
H11F H 0.4473 0.0764 0.6391 0.072 Uiso 1 1 calc R U . . .
H11G H 0.4419 0.0962 0.5765 0.072 Uiso 1 1 calc R U . . .
C12A C -0.1477(4) 0.2203(2) 0.56285(18) 0.0258(8) Uani 1 1 d . . . . .
C13A C -0.2061(4) 0.1771(2) 0.4947(2) 0.0391(10) Uani 1 1 d . . . . .
H13A H -0.1546 0.1494 0.4646 0.047 Uiso 1 1 calc R U . . .
C14A C -0.3371(4) 0.1745(3) 0.4711(2) 0.0451(11) Uani 1 1 d . . . . .
H14A H -0.3762 0.1443 0.4249 0.054 Uiso 1 1 calc R U . . .
C15A C -0.4127(4) 0.2156(3) 0.5143(2) 0.0446(11) Uani 1 1 d . . . . .
H15A H -0.5034 0.2138 0.4976 0.054 Uiso 1 1 calc R U . . .
C16A C -0.3567(4) 0.2591(2) 0.5815(2) 0.0418(11) Uani 1 1 d . . . . .
H16A H -0.4088 0.2870 0.6112 0.050 Uiso 1 1 calc R U . . .
C17A C -0.2252(4) 0.2620(2) 0.6054(2) 0.0325(9) Uani 1 1 d . . . . .
H17A H -0.1867 0.2928 0.6515 0.039 Uiso 1 1 calc R U . . .
C18A C 0.0086(4) 0.12487(19) 0.72567(17) 0.0241(8) Uani 1 1 d . . . . .
C19A C 0.0719(4) 0.06903(19) 0.68310(18) 0.0274(8) Uani 1 1 d . . . . .
H19A H 0.1635 0.0632 0.7013 0.033 Uiso 1 1 calc R U . . .
C20A C 0.0193(4) 0.03254(19) 0.61304(19) 0.0292(9) Uani 1 1 d . . . . .
H20A H 0.0730 0.0002 0.5827 0.035 Uiso 1 1 calc R U . . .
C21A C -0.1010(4) 0.0488(2) 0.58449(19) 0.0299(9) Uani 1 1 d . . . . .
H21A H -0.1319 0.0281 0.5342 0.036 Uiso 1 1 calc R U . . .
C22A C -0.1689(4) 0.1004(2) 0.62624(19) 0.0277(8) Uani 1 1 d . . . . .
H22A H -0.2455 0.1178 0.6050 0.033 Uiso 1 1 calc R U . . .
C23A C -0.1148(4) 0.14008(19) 0.69629(18) 0.0250(8) Uani 1 1 d . . . . .
H23A H -0.1549 0.1841 0.7236 0.030 Uiso 1 1 calc R U . . .
C24A C 0.2438(3) 0.14973(19) 0.82613(17) 0.0226(7) Uani 1 1 d . . . . .
C25A C 0.2317(4) 0.0962(2) 0.84965(18) 0.0264(8) Uani 1 1 d . . . . .
H25B H 0.1515 0.0860 0.8589 0.032 Uiso 1 1 calc R U . . .
C26A C 0.3355(4) 0.0580(2) 0.85946(19) 0.0313(9) Uani 1 1 d . . . . .
H26A H 0.3263 0.0216 0.8752 0.038 Uiso 1 1 calc R U . . .
C27A C 0.4517(4) 0.0726(2) 0.84651(19) 0.0312(9) Uani 1 1 d . . . . .
H27B H 0.5229 0.0463 0.8533 0.037 Uiso 1 1 calc R U . . .
C28A C 0.4653(4) 0.1256(2) 0.8235(2) 0.0339(9) Uani 1 1 d . . . . .
H28A H 0.5460 0.1355 0.8146 0.041 Uiso 1 1 calc R U . . .
C29A C 0.3617(4) 0.1642(2) 0.81326(19) 0.0266(8) Uani 1 1 d . . . . .
H29A H 0.3716 0.2005 0.7975 0.032 Uiso 1 1 calc R U . . .
C30A C 0.0169(3) 0.20038(19) 0.87402(17) 0.0222(7) Uani 1 1 d . . . . .
C31A C -0.1122(4) 0.17236(19) 0.86101(18) 0.0242(8) Uani 1 1 d . . . . .
H31A H -0.1615 0.1477 0.8157 0.029 Uiso 1 1 calc R U . . .
C32A C -0.1687(4) 0.1808(2) 0.9150(2) 0.0298(9) Uani 1 1 d . . . . .
H32A H -0.2565 0.1615 0.9059 0.036 Uiso 1 1 calc R U . . .
C33A C -0.0992(4) 0.2166(2) 0.98064(19) 0.0325(9) Uani 1 1 d . . . . .
H33A H -0.1392 0.2223 1.0167 0.039 Uiso 1 1 calc R U . . .
C34A C 0.0298(4) 0.2447(2) 0.99448(19) 0.0312(9) Uani 1 1 d . . . . .
H34A H 0.0786 0.2695 1.0399 0.037 Uiso 1 1 calc R U . . .
C35A C 0.0862(4) 0.2359(2) 0.94118(18) 0.0258(8) Uani 1 1 d . . . . .
H35A H 0.1745 0.2547 0.9506 0.031 Uiso 1 1 calc R U . . .
C36A C 0.2262(3) 0.46130(18) 0.85470(17) 0.0213(7) Uani 1 1 d . . . . .
C37A C 0.3362(4) 0.5124(2) 0.88186(19) 0.0300(9) Uani 1 1 d . . . . .
H37A H 0.4162 0.5008 0.9014 0.036 Uiso 1 1 calc R U . . .
C38A C 0.3283(4) 0.5811(2) 0.8803(2) 0.0320(9) Uani 1 1 d . . . . .
H38B H 0.4034 0.6158 0.8982 0.038 Uiso 1 1 calc R U . . .
C39A C 0.2114(4) 0.5982(2) 0.8525(2) 0.0326(9) Uani 1 1 d . . . . .
H39A H 0.2053 0.6451 0.8525 0.039 Uiso 1 1 calc R U . . .
C40A C 0.1040(4) 0.5468(2) 0.8248(2) 0.0324(9) Uani 1 1 d . . . . .
H40A H 0.0237 0.5584 0.8054 0.039 Uiso 1 1 calc R U . . .
C41A C 0.1120(4) 0.4784(2) 0.82486(18) 0.0262(8) Uani 1 1 d . . . . .
H41A H 0.0379 0.4429 0.8041 0.031 Uiso 1 1 calc R U . . .
C42A C 0.3921(3) 0.35747(18) 0.88095(18) 0.0230(8) Uani 1 1 d . . . . .
C43A C 0.4495(4) 0.3407(2) 0.93395(19) 0.0286(8) Uani 1 1 d . . . . .
H43A H 0.4029 0.3436 0.9670 0.034 Uiso 1 1 calc R U . . .
C44A C 0.5740(4) 0.3199(2) 0.9387(2) 0.0323(9) Uani 1 1 d . . . . .
H44A H 0.6126 0.3089 0.9752 0.039 Uiso 1 1 calc R U . . .
C45A C 0.6428(4) 0.3151(2) 0.8905(2) 0.0331(9) Uani 1 1 d . . . . .
H45A H 0.7287 0.3014 0.8942 0.040 Uiso 1 1 calc R U . . .
C46A C 0.5861(4) 0.3303(2) 0.8372(2) 0.0303(9) Uani 1 1 d . . . . .
H46A H 0.6325 0.3264 0.8037 0.036 Uiso 1 1 calc R U . . .
C47A C 0.4622(3) 0.35130(19) 0.83235(19) 0.0251(8) Uani 1 1 d . . . . .
H47B H 0.4238 0.3617 0.7954 0.030 Uiso 1 1 calc R U . . .
C48A C 0.1849(3) 0.41226(18) 0.94986(17) 0.0215(7) Uani 1 1 d . . . . .
C49A C 0.0631(4) 0.3954(2) 0.95784(18) 0.0261(8) Uani 1 1 d . . . . .
H49A H -0.0015 0.3632 0.9198 0.031 Uiso 1 1 calc R U . . .
C50A C 0.0364(4) 0.4259(2) 1.02184(19) 0.0316(9) Uani 1 1 d . . . . .
H50A H -0.0472 0.4150 1.0273 0.038 Uiso 1 1 calc R U . . .
C51A C 0.1301(4) 0.4720(2) 1.07747(19) 0.0355(10) Uani 1 1 d . . . . .
H51A H 0.1122 0.4908 1.1213 0.043 Uiso 1 1 calc R U . . .
C52A C 0.2488(4) 0.4906(2) 1.0697(2) 0.0368(10) Uani 1 1 d . . . . .
H52A H 0.3123 0.5235 1.1079 0.044 Uiso 1 1 calc R U . . .
C53A C 0.2764(4) 0.4613(2) 1.00601(18) 0.0297(9) Uani 1 1 d . . . . .
H53D H 0.3585 0.4749 1.0007 0.036 Uiso 1 1 calc R U . . .
Ru1B Ru 0.22851(3) 0.25306(2) 0.25056(2) 0.01877(7) Uani 1 1 d . . . . .
Ru2B Ru 0.07534(3) 0.14163(2) 0.26438(2) 0.01977(7) Uani 1 1 d . . . . .
Cl1B Cl 0.07199(8) 0.28903(5) 0.17705(4) 0.02227(18) Uani 1 1 d . . . . .
P1B P 0.16570(9) 0.32620(5) 0.34464(4) 0.02080(19) Uani 1 1 d . . . . .
P2B P 0.40197(9) 0.31901(5) 0.24760(4) 0.02077(19) Uani 1 1 d . . . . .
O1B O 0.2177(3) 0.08632(14) 0.36550(13) 0.0304(6) Uani 1 1 d . . . . .
C1B C 0.0870(3) 0.06284(18) 0.16813(17) 0.0195(7) Uani 1 1 d . . . . .
B3B B 0.1273(4) 0.0262(2) 0.2217(2) 0.0216(8) Uani 1 1 d . . . . .
H3B H 0.065(3) -0.0212(17) 0.2162(16) 0.014(8) Uiso 1 1 d . . . . .
B4B B 0.2216(4) 0.0250(2) 0.1610(2) 0.0229(9) Uani 1 1 d . . . . .
H4B H 0.222(3) -0.0229(18) 0.1117(17) 0.021 Uiso 1 1 d . U . . .
B5B B 0.2055(4) 0.1245(2) 0.1891(2) 0.0214(8) Uani 1 1 d . . . . .
H5B H 0.210(3) 0.1635(16) 0.1601(15) 0.011(8) Uiso 1 1 d . . . . .
B6B B 0.2371(4) 0.0909(2) 0.3067(2) 0.0251(9) Uani 1 1 d . . . . .
B7B B 0.3042(4) 0.0226(2) 0.2383(2) 0.0245(9) Uani 1 1 d . . . . .
H7B H 0.334(3) -0.028(2) 0.2333(17) 0.025(10) Uiso 1 1 d . . . . .
B8B B 0.3579(4) 0.0900(2) 0.2128(2) 0.0233(9) Uani 1 1 d . . . . .
H8B H 0.429(4) 0.094(2) 0.1886(19) 0.038(11) Uiso 1 1 d . . . . .
B9B B 0.2906(4) 0.1612(2) 0.2771(2) 0.0218(8) Uani 1 1 d . . . . .
H9B H 0.322(4) 0.228(2) 0.299(2) 0.048(12) Uiso 1 1 d . . . . .
B10B B 0.3904(4) 0.1054(2) 0.2952(2) 0.0256(9) Uani 1 1 d . . . . .
H10B H 0.482(3) 0.1149(17) 0.3309(16) 0.012(8) Uiso 1 1 d . . . . .
C11B C 0.3189(4) 0.0651(2) 0.4032(2) 0.0340(9) Uani 1 1 d . . . . .
H11A H 0.2918 0.0642 0.4423 0.051 Uiso 1 1 calc R U . . .
H11C H 0.3966 0.1002 0.4189 0.051 Uiso 1 1 calc R U . . .
H11D H 0.3387 0.0161 0.3746 0.051 Uiso 1 1 calc R U . . .
C12B C -0.0247(3) 0.03502(19) 0.10757(17) 0.0228(8) Uani 1 1 d . . . . .
C13B C -0.0532(4) -0.0397(2) 0.06575(18) 0.0269(8) Uani 1 1 d . . . . .
H13B H -0.0001 -0.0731 0.0754 0.032 Uiso 1 1 calc R U . . .
C14B C -0.1580(4) -0.0663(2) 0.01010(19) 0.0303(9) Uani 1 1 d . . . . .
H14B H -0.1760 -0.1176 -0.0177 0.036 Uiso 1 1 calc R U . . .
C15B C -0.2352(4) -0.0190(2) -0.00465(19) 0.0326(9) Uani 1 1 d . . . . .
H15B H -0.3092 -0.0373 -0.0414 0.039 Uiso 1 1 calc R U . . .
C16B C -0.2049(4) 0.0562(2) 0.03448(19) 0.0326(9) Uani 1 1 d . . . . .
H16B H -0.2562 0.0893 0.0231 0.039 Uiso 1 1 calc R U . . .
C17B C -0.1008(4) 0.0831(2) 0.08985(18) 0.0277(8) Uani 1 1 d . . . . .
H17B H -0.0806 0.1346 0.1161 0.033 Uiso 1 1 calc R U . . .
C18B C 0.0357(3) 0.25649(18) 0.33071(17) 0.0214(7) Uani 1 1 d . . . . .
C19B C 0.0528(4) 0.21524(18) 0.36969(17) 0.0226(8) Uani 1 1 d . . . . .
H19B H 0.1297 0.2296 0.4087 0.027 Uiso 1 1 calc R U . . .
C20B C -0.0212(4) 0.1463(2) 0.34548(18) 0.0254(8) Uani 1 1 d . . . . .
H20B H 0.0034 0.1137 0.3685 0.030 Uiso 1 1 calc R U . . .
C21B C -0.1175(4) 0.1193(2) 0.28487(19) 0.0268(8) Uani 1 1 d . . . . .
H21B H -0.1604 0.0679 0.2650 0.032 Uiso 1 1 calc R U . . .
C22B C -0.1404(4) 0.1618(2) 0.24785(19) 0.0268(8) Uani 1 1 d . . . . .
H22B H -0.1960 0.1387 0.2009 0.032 Uiso 1 1 calc R U . . .
C23B C -0.0631(3) 0.22793(19) 0.26893(18) 0.0238(8) Uani 1 1 d . . . . .
H23B H -0.0669 0.2512 0.2370 0.029 Uiso 1 1 calc R U . . .
C24B C 0.2619(4) 0.35066(19) 0.42983(17) 0.0231(8) Uani 1 1 d . . . . .
C25B C 0.2071(4) 0.3816(2) 0.48544(18) 0.0290(9) Uani 1 1 d . . . . .
H25A H 0.1176 0.3889 0.4790 0.035 Uiso 1 1 calc R U . . .
C26B C 0.2813(4) 0.4022(2) 0.55039(19) 0.0322(9) Uani 1 1 d . . . . .
H26B H 0.2423 0.4225 0.5881 0.039 Uiso 1 1 calc R U . . .
C27B C 0.4098(4) 0.3931(2) 0.55996(19) 0.0351(10) Uani 1 1 d . . . . .
H27A H 0.4603 0.4073 0.6045 0.042 Uiso 1 1 calc R U . . .
C28B C 0.4678(4) 0.3636(2) 0.50569(19) 0.0388(10) Uani 1 1 d . . . . .
H28B H 0.5583 0.3589 0.5128 0.047 Uiso 1 1 calc R U . . .
C29B C 0.3925(4) 0.3409(2) 0.44033(19) 0.0309(9) Uani 1 1 d . . . . .
H29B H 0.4311 0.3185 0.4027 0.037 Uiso 1 1 calc R U . . .
C30B C 0.0943(4) 0.41145(19) 0.35561(17) 0.0247(8) Uani 1 1 d . . . . .
C31B C -0.0365(4) 0.4133(2) 0.3306(2) 0.0328(9) Uani 1 1 d . . . . .
H31B H -0.0950 0.3696 0.3099 0.039 Uiso 1 1 calc R U . . .
C32B C -0.0812(4) 0.4795(2) 0.3363(2) 0.0390(10) Uani 1 1 d . . . . .
H32B H -0.1703 0.4807 0.3185 0.047 Uiso 1 1 calc R U . . .
C33B C 0.0014(5) 0.5433(2) 0.3671(2) 0.0390(10) Uani 1 1 d . . . . .
H33B H -0.0306 0.5881 0.3704 0.047 Uiso 1 1 calc R U . . .
C34B C 0.1299(4) 0.5424(2) 0.3931(2) 0.0361(10) Uani 1 1 d . . . . .
H34B H 0.1868 0.5867 0.4149 0.043 Uiso 1 1 calc R U . . .
C35B C 0.1774(4) 0.4765(2) 0.38784(19) 0.0306(9) Uani 1 1 d . . . . .
H35B H 0.2665 0.4760 0.4062 0.037 Uiso 1 1 calc R U . . .
C36B C 0.4602(3) 0.27043(19) 0.16910(17) 0.0225(7) Uani 1 1 d . . . . .
C37B C 0.5896(4) 0.2588(2) 0.16913(18) 0.0263(8) Uani 1 1 d . . . . .
H37B H 0.6519 0.2743 0.2108 0.032 Uiso 1 1 calc R U . . .
C38B C 0.6280(4) 0.2243(2) 0.10782(19) 0.0311(9) Uani 1 1 d . . . . .
H38A H 0.7162 0.2154 0.1082 0.037 Uiso 1 1 calc R U . . .
C39B C 0.5395(4) 0.2030(2) 0.0469(2) 0.0321(9) Uani 1 1 d . . . . .
H39B H 0.5661 0.1802 0.0054 0.038 Uiso 1 1 calc R U . . .
C40B C 0.4117(4) 0.2155(2) 0.04740(19) 0.0344(9) Uani 1 1 d . . . . .
H40B H 0.3498 0.2012 0.0057 0.041 Uiso 1 1 calc R U . . .
C41B C 0.3720(4) 0.2487(2) 0.10767(19) 0.0303(9) Uani 1 1 d . . . . .
H41B H 0.2833 0.2566 0.1069 0.036 Uiso 1 1 calc R U . . .
C42B C 0.5450(3) 0.3311(2) 0.31453(17) 0.0234(8) Uani 1 1 d . . . . .
C43B C 0.5998(4) 0.3992(2) 0.36595(18) 0.0289(8) Uani 1 1 d . . . . .
H43B H 0.5666 0.4424 0.3652 0.035 Uiso 1 1 calc R U . . .
C44B C 0.7018(4) 0.4050(2) 0.4182(2) 0.0365(10) Uani 1 1 d . . . . .
H44B H 0.7379 0.4520 0.4529 0.044 Uiso 1 1 calc R U . . .
C45B C 0.7517(4) 0.3425(2) 0.4201(2) 0.0366(10) Uani 1 1 d . . . . .
H45B H 0.8220 0.3464 0.4558 0.044 Uiso 1 1 calc R U . . .
C46B C 0.6975(4) 0.2745(2) 0.36928(19) 0.0313(9) Uani 1 1 d . . . . .
H46B H 0.7308 0.2315 0.3704 0.038 Uiso 1 1 calc R U . . .
C47B C 0.5959(4) 0.2681(2) 0.31703(18) 0.0259(8) Uani 1 1 d . . . . .
H47A H 0.5601 0.2210 0.2825 0.031 Uiso 1 1 calc R U . . .
C48B C 0.3946(4) 0.41037(19) 0.24926(17) 0.0238(8) Uani 1 1 d . . . . .
C49B C 0.2854(4) 0.4462(2) 0.25621(18) 0.0269(8) Uani 1 1 d . . . . .
H49B H 0.2095 0.4228 0.2589 0.032 Uiso 1 1 calc R U . . .
C50B C 0.2842(4) 0.5169(2) 0.25944(19) 0.0348(10) Uani 1 1 d . . . . .
H50B H 0.2076 0.5409 0.2638 0.042 Uiso 1 1 calc R U . . .
C51B C 0.3945(4) 0.5517(2) 0.25622(18) 0.0353(10) Uani 1 1 d . . . . .
H51B H 0.3947 0.6002 0.2596 0.042 Uiso 1 1 calc R U . . .
C52B C 0.5046(4) 0.5156(2) 0.24801(19) 0.0344(10) Uani 1 1 d . . . . .
H52B H 0.5798 0.5389 0.2447 0.041 Uiso 1 1 calc R U . . .
C53B C 0.5059(4) 0.4457(2) 0.24457(18) 0.0297(9) Uani 1 1 d . . . . .
H53A H 0.5820 0.4214 0.2390 0.036 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1A Ru1A B9A 101.28(11) . . ?
P1A Ru1A P2A 101.09(4) . . ?
B9A Ru1A P2A 112.57(11) . . ?
P1A Ru1A B5A 131.48(10) . . ?
B9A Ru1A B5A 45.71(15) . . ?
P2A Ru1A B5A 122.70(10) . . ?
P1A Ru1A Cl1A 95.03(3) . . ?
B9A Ru1A Cl1A 143.99(11) . . ?
P2A Ru1A Cl1A 95.18(3) . . ?
B5A Ru1A Cl1A 100.26(11) . . ?
P1A Ru1A Ru2A 81.49(3) . . ?
B9A Ru1A Ru2A 49.02(11) . . ?
P2A Ru1A Ru2A 161.16(3) . . ?
B5A Ru1A Ru2A 50.28(10) . . ?
Cl1A Ru1A Ru2A 103.22(2) . . ?
P1A Ru1A H5A 153.2(10) . . ?
B9A Ru1A H5A 70.4(10) . . ?
P2A Ru1A H5A 105.6(10) . . ?
B5A Ru1A H5A 27.7(10) . . ?
Cl1A Ru1A H5A 80.6(10) . . ?
Ru2A Ru1A H5A 74.0(10) . . ?
P1A Ru1A H9A 86.7(13) . . ?
B9A Ru1A H9A 33.6(13) . . ?
P2A Ru1A H9A 86.3(14) . . ?
B5A Ru1A H9A 77.2(13) . . ?
Cl1A Ru1A H9A 177.5(13) . . ?
Ru2A Ru1A H9A 75.2(14) . . ?
H5A Ru1A H9A 97.0(17) . . ?
C1A Ru2A B9A 82.18(15) . . ?
C1A Ru2A C20A 136.48(14) . . ?
B9A Ru2A C20A 127.44(15) . . ?
C1A Ru2A C21A 107.86(14) . . ?
B9A Ru2A C21A 163.22(16) . . ?
C20A Ru2A C21A 36.72(14) . . ?
C1A Ru2A B3A 44.26(15) . . ?
B9A Ru2A B3A 78.79(15) . . ?
C20A Ru2A B3A 104.66(14) . . ?
C21A Ru2A B3A 98.80(14) . . ?
C1A Ru2A B6A 85.98(15) . . ?
B9A Ru2A B6A 51.26(15) . . ?
C20A Ru2A B6A 90.76(15) . . ?
C21A Ru2A B6A 114.79(15) . . ?
B3A Ru2A B6A 49.46(16) . . ?
C1A Ru2A C19A 172.84(13) . . ?
B9A Ru2A C19A 103.54(15) . . ?
C20A Ru2A C19A 36.40(13) . . ?
C21A Ru2A C19A 65.57(14) . . ?
B3A Ru2A C19A 132.01(15) . . ?
B6A Ru2A C19A 94.25(15) . . ?
C1A Ru2A C18A 147.54(14) . . ?
B9A Ru2A C18A 100.92(14) . . ?
C20A Ru2A C18A 65.98(13) . . ?
C21A Ru2A C18A 78.02(13) . . ?
B3A Ru2A C18A 168.20(15) . . ?
B6A Ru2A C18A 121.36(15) . . ?
C19A Ru2A C18A 36.36(13) . . ?
C1A Ru2A C23A 115.49(14) . . ?
B9A Ru2A C23A 123.42(14) . . ?
C20A Ru2A C23A 77.16(14) . . ?
C21A Ru2A C23A 65.17(13) . . ?
B3A Ru2A C23A 151.35(15) . . ?
B6A Ru2A C23A 157.96(15) . . ?
C19A Ru2A C23A 65.11(14) . . ?
C18A Ru2A C23A 36.77(13) . . ?
C1A Ru2A C22A 100.28(14) . . ?
B9A Ru2A C22A 157.93(14) . . ?
C20A Ru2A C22A 64.71(14) . . ?
C21A Ru2A C22A 35.70(13) . . ?
B3A Ru2A C22A 118.29(15) . . ?
B6A Ru2A C22A 150.38(15) . . ?
C19A Ru2A C22A 76.08(14) . . ?
C18A Ru2A C22A 65.37(13) . . ?
C23A Ru2A C22A 35.93(12) . . ?
C1A Ru2A B5A 42.38(14) . . ?
B9A Ru2A B5A 46.53(15) . . ?
C20A Ru2A B5A 170.87(15) . . ?
C21A Ru2A B5A 147.93(15) . . ?
B3A Ru2A B5A 68.57(14) . . ?
B6A Ru2A B5A 80.18(15) . . ?
C19A Ru2A B5A 144.69(14) . . ?
C18A Ru2A B5A 119.83(13) . . ?
C23A Ru2A B5A 111.77(14) . . ?
C22A Ru2A B5A 123.55(14) . . ?
C1A Ru2A Ru1A 91.71(10) . . ?
B9A Ru2A Ru1A 49.10(10) . . ?
C20A Ru2A Ru1A 131.46(10) . . ?
C21A Ru2A Ru1A 140.81(9) . . ?
B3A Ru2A Ru1A 118.16(11) . . ?
B6A Ru2A Ru1A 99.81(11) . . ?
C19A Ru2A Ru1A 95.29(9) . . ?
C18A Ru2A Ru1A 68.18(9) . . ?
C23A Ru2A Ru1A 75.83(9) . . ?
C22A Ru2A Ru1A 108.83(10) . . ?
B5A Ru2A Ru1A 52.30(10) . . ?
C24A P1A C30A 102.65(16) . . ?
C24A P1A C18A 103.10(17) . . ?
C30A P1A C18A 109.40(16) . . ?
C24A P1A Ru1A 123.46(12) . . ?
C30A P1A Ru1A 122.40(12) . . ?
C18A P1A Ru1A 92.96(11) . . ?
C42A P2A C48A 104.04(16) . . ?
C42A P2A C36A 105.38(16) . . ?
C48A P2A C36A 99.01(15) . . ?
C42A P2A Ru1A 109.73(11) . . ?
C48A P2A Ru1A 124.99(12) . . ?
C36A P2A Ru1A 111.76(12) . . ?
B6A O1A C11A 120.4(3) . . ?
C12A C1A B5A 127.9(3) . . ?
C12A C1A B4A 123.6(3) . . ?
B5A C1A B4A 70.3(2) . . ?
C12A C1A B3A 127.3(3) . . ?
B5A C1A B3A 104.8(3) . . ?
B4A C1A B3A 68.4(3) . . ?
C12A C1A Ru2A 117.0(2) . . ?
B5A C1A Ru2A 76.28(19) . . ?
B4A C1A Ru2A 119.2(3) . . ?
B3A C1A Ru2A 73.38(19) . . ?
C1A B3A B4A 55.4(2) . . ?
C1A B3A B7A 108.2(3) . . ?
B4A B3A B7A 57.9(2) . . ?
C1A B3A B6A 114.1(3) . . ?
B4A B3A B6A 103.5(3) . . ?
B7A B3A B6A 60.4(2) . . ?
C1A B3A Ru2A 62.36(18) . . ?
B4A B3A Ru2A 102.8(2) . . ?
B7A B3A Ru2A 112.7(2) . . ?
B6A B3A Ru2A 65.51(18) . . ?
C1A B3A H3A 116.2(17) . . ?
B4A B3A H3A 124.0(16) . . ?
B7A B3A H3A 121.0(16) . . ?
B6A B3A H3A 124.3(17) . . ?
Ru2A B3A H3A 121.4(16) . . ?
C1A B4A B8A 109.5(3) . . ?
C1A B4A B7A 112.0(3) . . ?
B8A B4A B7A 60.5(3) . . ?
C1A B4A B3A 56.2(2) . . ?
B8A B4A B3A 102.2(3) . . ?
B7A B4A B3A 61.4(2) . . ?
C1A B4A B5A 54.2(2) . . ?
B8A B4A B5A 59.7(2) . . ?
B7A B4A B5A 101.8(3) . . ?
B3A B4A B5A 88.1(2) . . ?
C1A B4A H4A 110.1(17) . . ?
B8A B4A H4A 128.7(17) . . ?
B7A B4A H4A 127.6(16) . . ?
B3A B4A H4A 126.7(17) . . ?
B5A B4A H4A 127.9(17) . . ?
C1A B5A B9A 113.3(3) . . ?
C1A B5A B8A 108.6(3) . . ?
B9A B5A B8A 61.0(2) . . ?
C1A B5A B4A 55.5(2) . . ?
B9A B5A B4A 102.0(3) . . ?
B8A B5A B4A 57.4(2) . . ?
C1A B5A Ru2A 61.34(17) . . ?
B9A B5A Ru2A 64.54(18) . . ?
B8A B5A Ru2A 111.9(2) . . ?
B4A B5A Ru2A 100.2(2) . . ?
C1A B5A Ru1A 132.0(2) . . ?
B9A B5A Ru1A 63.08(17) . . ?
B8A B5A Ru1A 108.9(2) . . ?
B4A B5A Ru1A 164.6(3) . . ?
Ru2A B5A Ru1A 77.42(11) . . ?
C1A B5A H5A 128.0(19) . . ?
B9A B5A H5A 112.8(18) . . ?
B8A B5A H5A 113.9(18) . . ?
B4A B5A H5A 132.7(17) . . ?
Ru2A B5A H5A 123.0(17) . . ?
Ru1A B5A H5A 56.9(17) . . ?
O1A B6A B10A 123.1(4) . . ?
O1A B6A B7A 127.6(3) . . ?
B10A B6A B7A 56.2(2) . . ?
O1A B6A B3A 117.5(3) . . ?
B10A B6A B3A 108.7(3) . . ?
B7A B6A B3A 58.7(2) . . ?
O1A B6A B9A 141.2(3) . . ?
B10A B6A B9A 54.5(2) . . ?
B7A B6A B9A 85.5(3) . . ?
B3A B6A B9A 95.9(3) . . ?
O1A B6A Ru2A 111.7(3) . . ?
B10A B6A Ru2A 116.9(3) . . ?
B7A B6A Ru2A 111.0(3) . . ?
B3A B6A Ru2A 65.02(19) . . ?
B9A B6A Ru2A 63.56(18) . . ?
B10A B7A B4A 112.7(3) . . ?
B10A B7A B8A 58.0(3) . . ?
B4A B7A B8A 59.1(2) . . ?
B10A B7A B3A 111.7(3) . . ?
B4A B7A B3A 60.7(2) . . ?
B8A B7A B3A 100.8(3) . . ?
B10A B7A B6A 57.4(2) . . ?
B4A B7A B6A 105.9(3) . . ?
B8A B7A B6A 92.9(3) . . ?
B3A B7A B6A 60.9(2) . . ?
B10A B7A H7A 122.0(19) . . ?
B4A B7A H7A 116.7(19) . . ?
B8A B7A H7A 132.7(19) . . ?
B3A B7A H7A 117.7(19) . . ?
B6A B7A H7A 128.7(19) . . ?
B10A B8A B4A 114.6(3) . . ?
B10A B8A B7A 58.6(3) . . ?
B4A B8A B7A 60.5(3) . . ?
B10A B8A B5A 112.4(3) . . ?
B4A B8A B5A 62.8(2) . . ?
B7A B8A B5A 104.0(3) . . ?
B10A B8A B9A 57.4(2) . . ?
B4A B8A B9A 104.6(3) . . ?
B7A B8A B9A 92.0(3) . . ?
B5A B8A B9A 59.3(2) . . ?
B10A B8A H8A 124(2) . . ?
B4A B8A H8A 115(2) . . ?
B7A B8A H8A 134(2) . . ?
B5A B8A H8A 113(2) . . ?
B9A B8A H8A 130(2) . . ?
B10A B9A B5A 112.9(3) . . ?
B10A B9A B8A 57.4(2) . . ?
B5A B9A B8A 59.8(2) . . ?
B10A B9A B6A 56.2(2) . . ?
B5A B9A B6A 103.8(3) . . ?
B8A B9A B6A 89.6(3) . . ?
B10A B9A Ru2A 120.2(3) . . ?
B5A B9A Ru2A 68.92(19) . . ?
B8A B9A Ru2A 114.4(3) . . ?
B6A B9A Ru2A 65.18(18) . . ?
B10A B9A Ru1A 157.9(3) . . ?
B5A B9A Ru1A 71.21(19) . . ?
B8A B9A Ru1A 114.1(2) . . ?
B6A B9A Ru1A 145.6(3) . . ?
Ru2A B9A Ru1A 81.88(14) . . ?
B10A B9A H9A 116.5(19) . . ?
B5A B9A H9A 114.9(19) . . ?
B8A B9A H9A 122.4(18) . . ?
B6A B9A H9A 138.4(18) . . ?
Ru2A B9A H9A 114.5(18) . . ?
Ru1A B9A H9A 47.7(18) . . ?
B9A B10A B8A 65.3(3) . . ?
B9A B10A B7A 99.7(3) . . ?
B8A B10A B7A 63.4(3) . . ?
B9A B10A B6A 69.3(3) . . ?
B8A B10A B6A 101.9(3) . . ?
B7A B10A B6A 66.4(3) . . ?
B9A B10A H10A 134.2(19) . . ?
B8A B10A H10A 132.6(19) . . ?
B7A B10A H10A 126.1(19) . . ?
B6A B10A H10A 124.9(19) . . ?
O1A C11A H11B 109.5 . . ?
O1A C11A H11F 109.5 . . ?
H11B C11A H11F 109.5 . . ?
O1A C11A H11G 109.5 . . ?
H11B C11A H11G 109.5 . . ?
H11F C11A H11G 109.5 . . ?
C17A C12A C13A 118.4(4) . . ?
C17A C12A C1A 120.9(3) . . ?
C13A C12A C1A 120.6(3) . . ?
C14A C13A C12A 120.5(4) . . ?
C14A C13A H13A 119.8 . . ?
C12A C13A H13A 119.8 . . ?
C13A C14A C15A 120.3(4) . . ?
C13A C14A H14A 119.9 . . ?
C15A C14A H14A 119.9 . . ?
C16A C15A C14A 120.1(4) . . ?
C16A C15A H15A 119.9 . . ?
C14A C15A H15A 119.9 . . ?
C17A C16A C15A 119.8(4) . . ?
C17A C16A H16A 120.1 . . ?
C15A C16A H16A 120.1 . . ?
C16A C17A C12A 120.9(4) . . ?
C16A C17A H17A 119.6 . . ?
C12A C17A H17A 119.6 . . ?
C19A C18A C23A 118.4(3) . . ?
C19A C18A P1A 120.1(3) . . ?
C23A C18A P1A 118.9(3) . . ?
C19A C18A Ru2A 71.72(19) . . ?
C23A C18A Ru2A 72.19(19) . . ?
P1A C18A Ru2A 111.31(15) . . ?
C20A C19A C18A 120.8(4) . . ?
C20A C19A Ru2A 70.6(2) . . ?
C18A C19A Ru2A 71.9(2) . . ?
C20A C19A H19A 119.0 . . ?
C18A C19A H19A 119.0 . . ?
Ru2A C19A H19A 119.0 . . ?
C19A C20A C21A 120.3(4) . . ?
C19A C20A Ru2A 73.0(2) . . ?
C21A C20A Ru2A 72.1(2) . . ?
C19A C20A H20A 119.6 . . ?
C21A C20A H20A 119.6 . . ?
Ru2A C20A H20A 119.6 . . ?
C22A C21A C20A 119.7(4) . . ?
C22A C21A Ru2A 74.1(2) . . ?
C20A C21A Ru2A 71.1(2) . . ?
C22A C21A H21A 119.9 . . ?
C20A C21A H21A 119.9 . . ?
Ru2A C21A H21A 119.9 . . ?
C21A C22A C23A 120.8(4) . . ?
C21A C22A Ru2A 70.2(2) . . ?
C23A C22A Ru2A 71.5(2) . . ?
C21A C22A H22A 118.8 . . ?
C23A C22A H22A 118.8 . . ?
Ru2A C22A H22A 118.8 . . ?
C22A C23A C18A 119.9(3) . . ?
C22A C23A Ru2A 72.6(2) . . ?
C18A C23A Ru2A 71.04(19) . . ?
C22A C23A H23A 119.7 . . ?
C18A C23A H23A 119.7 . . ?
Ru2A C23A H23A 119.7 . . ?
C29A C24A C25A 119.0(3) . . ?
C29A C24A P1A 122.0(3) . . ?
C25A C24A P1A 118.9(3) . . ?
C26A C25A C24A 120.5(3) . . ?
C26A C25A H25B 119.7 . . ?
C24A C25A H25B 119.7 . . ?
C27A C26A C25A 120.1(3) . . ?
C27A C26A H26A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C26A C27A C28A 120.1(4) . . ?
C26A C27A H27B 120.0 . . ?
C28A C27A H27B 120.0 . . ?
C27A C28A C29A 120.4(4) . . ?
C27A C28A H28A 119.8 . . ?
C29A C28A H28A 119.8 . . ?
C24A C29A C28A 119.9(3) . . ?
C24A C29A H29A 120.1 . . ?
C28A C29A H29A 120.1 . . ?
C31A C30A C35A 118.4(3) . . ?
C31A C30A P1A 124.0(3) . . ?
C35A C30A P1A 117.6(3) . . ?
C30A C31A C32A 119.7(3) . . ?
C30A C31A H31A 120.2 . . ?
C32A C31A H31A 120.2 . . ?
C33A C32A C31A 121.0(4) . . ?
C33A C32A H32A 119.5 . . ?
C31A C32A H32A 119.5 . . ?
C32A C33A C34A 120.1(3) . . ?
C32A C33A H33A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C35A C34A C33A 119.1(4) . . ?
C35A C34A H34A 120.5 . . ?
C33A C34A H34A 120.5 . . ?
C34A C35A C30A 121.8(4) . . ?
C34A C35A H35A 119.1 . . ?
C30A C35A H35A 119.1 . . ?
C41A C36A C37A 119.1(3) . . ?
C41A C36A P2A 118.2(3) . . ?
C37A C36A P2A 122.3(3) . . ?
C36A C37A C38A 119.8(4) . . ?
C36A C37A H37A 120.1 . . ?
C38A C37A H37A 120.1 . . ?
C39A C38A C37A 120.0(4) . . ?
C39A C38A H38B 120.0 . . ?
C37A C38A H38B 120.0 . . ?
C40A C39A C38A 119.6(3) . . ?
C40A C39A H39A 120.2 . . ?
C38A C39A H39A 120.2 . . ?
C39A C40A C41A 120.5(4) . . ?
C39A C40A H40A 119.7 . . ?
C41A C40A H40A 119.7 . . ?
C36A C41A C40A 120.8(3) . . ?
C36A C41A H41A 119.6 . . ?
C40A C41A H41A 119.6 . . ?
C43A C42A C47A 118.4(3) . . ?
C43A C42A P2A 123.2(3) . . ?
C47A C42A P2A 117.9(3) . . ?
C44A C43A C42A 120.4(3) . . ?
C44A C43A H43A 119.8 . . ?
C42A C43A H43A 119.8 . . ?
C43A C44A C45A 120.3(4) . . ?
C43A C44A H44A 119.9 . . ?
C45A C44A H44A 119.9 . . ?
C46A C45A C44A 119.8(4) . . ?
C46A C45A H45A 120.1 . . ?
C44A C45A H45A 120.1 . . ?
C45A C46A C47A 120.0(4) . . ?
C45A C46A H46A 120.0 . . ?
C47A C46A H46A 120.0 . . ?
C46A C47A C42A 121.0(4) . . ?
C46A C47A H47B 119.5 . . ?
C42A C47A H47B 119.5 . . ?
C49A C48A C53A 119.1(3) . . ?
C49A C48A P2A 121.0(3) . . ?
C53A C48A P2A 119.7(3) . . ?
C48A C49A C50A 119.6(4) . . ?
C48A C49A H49A 120.2 . . ?
C50A C49A H49A 120.2 . . ?
C51A C50A C49A 120.6(4) . . ?
C51A C50A H50A 119.7 . . ?
C49A C50A H50A 119.7 . . ?
C52A C51A C50A 120.1(3) . . ?
C52A C51A H51A 119.9 . . ?
C50A C51A H51A 119.9 . . ?
C51A C52A C53A 119.9(4) . . ?
C51A C52A H52A 120.0 . . ?
C53A C52A H52A 120.0 . . ?
C52A C53A C48A 120.6(4) . . ?
C52A C53A H53D 119.7 . . ?
C48A C53A H53D 119.7 . . ?
P1B Ru1B B9B 100.17(11) . . ?
P1B Ru1B P2B 105.03(4) . . ?
B9B Ru1B P2B 111.49(11) . . ?
P1B Ru1B B5B 131.82(10) . . ?
B9B Ru1B B5B 46.27(14) . . ?
P2B Ru1B B5B 118.39(10) . . ?
P1B Ru1B Cl1B 94.10(4) . . ?
B9B Ru1B Cl1B 145.72(11) . . ?
P2B Ru1B Cl1B 94.33(3) . . ?
B5B Ru1B Cl1B 102.01(10) . . ?
P1B Ru1B Ru2B 81.84(3) . . ?
B9B Ru1B Ru2B 49.53(10) . . ?
P2B Ru1B Ru2B 161.01(3) . . ?
B5B Ru1B Ru2B 50.46(9) . . ?
Cl1B Ru1B Ru2B 102.92(3) . . ?
P1B Ru1B H5B 155.2(8) . . ?
B9B Ru1B H5B 74.7(8) . . ?
P2B Ru1B H5B 99.4(8) . . ?
B5B Ru1B H5B 31.2(8) . . ?
Cl1B Ru1B H5B 79.3(9) . . ?
Ru2B Ru1B H5B 76.5(8) . . ?
P1B Ru1B H9B 84.4(15) . . ?
B9B Ru1B H9B 32.4(15) . . ?
P2B Ru1B H9B 88.8(15) . . ?
B5B Ru1B H9B 77.0(15) . . ?
Cl1B Ru1B H9B 176.8(15) . . ?
Ru2B Ru1B H9B 74.1(15) . . ?
H5B Ru1B H9B 100.9(17) . . ?
C1B Ru2B C20B 136.49(13) . . ?
C1B Ru2B B3B 44.40(13) . . ?
C20B Ru2B B3B 103.00(13) . . ?
C1B Ru2B B9B 82.58(14) . . ?
C20B Ru2B B9B 124.79(14) . . ?
B3B Ru2B B9B 78.98(15) . . ?
C1B Ru2B B6B 86.76(14) . . ?
C20B Ru2B B6B 87.98(14) . . ?
B3B Ru2B B6B 50.33(15) . . ?
B9B Ru2B B6B 50.61(14) . . ?
C1B Ru2B C21B 109.11(13) . . ?
C20B Ru2B C21B 36.64(13) . . ?
B3B Ru2B C21B 98.31(14) . . ?
B9B Ru2B C21B 160.58(14) . . ?
B6B Ru2B C21B 113.10(14) . . ?
C1B Ru2B C19B 173.20(12) . . ?
C20B Ru2B C19B 36.92(12) . . ?
B3B Ru2B C19B 130.17(13) . . ?
B9B Ru2B C19B 100.87(14) . . ?
B6B Ru2B C19B 90.92(14) . . ?
C21B Ru2B C19B 65.99(13) . . ?
C1B Ru2B C18B 148.88(12) . . ?
C20B Ru2B C18B 66.68(12) . . ?
B3B Ru2B C18B 166.68(13) . . ?
B9B Ru2B C18B 99.68(13) . . ?
B6B Ru2B C18B 118.81(14) . . ?
C21B Ru2B C18B 78.48(13) . . ?
C19B Ru2B C18B 36.74(12) . . ?
C1B Ru2B C23B 117.43(13) . . ?
C20B Ru2B C23B 77.60(13) . . ?
B3B Ru2B C23B 152.41(14) . . ?
B9B Ru2B C23B 123.85(13) . . ?
B6B Ru2B C23B 155.36(14) . . ?
C21B Ru2B C23B 65.39(13) . . ?
C19B Ru2B C23B 65.57(13) . . ?
C18B Ru2B C23B 36.91(13) . . ?
C1B Ru2B B5B 42.40(13) . . ?
C20B Ru2B B5B 168.29(14) . . ?
B3B Ru2B B5B 68.68(14) . . ?
B9B Ru2B B5B 46.94(15) . . ?
B6B Ru2B B5B 80.36(15) . . ?
C21B Ru2B B5B 149.73(14) . . ?
C19B Ru2B B5B 143.33(14) . . ?
C18B Ru2B B5B 120.07(13) . . ?
C23B Ru2B B5B 113.67(13) . . ?
C1B Ru2B C22B 102.37(13) . . ?
C20B Ru2B C22B 65.10(13) . . ?
B3B Ru2B C22B 119.15(14) . . ?
B9B Ru2B C22B 158.68(13) . . ?
B6B Ru2B C22B 149.30(14) . . ?
C21B Ru2B C22B 36.19(13) . . ?
C19B Ru2B C22B 76.55(13) . . ?
C18B Ru2B C22B 65.37(13) . . ?
C23B Ru2B C22B 35.61(12) . . ?
B5B Ru2B C22B 125.81(14) . . ?
C1B Ru2B Ru1B 91.48(9) . . ?
C20B Ru2B Ru1B 131.95(9) . . ?
B3B Ru2B Ru1B 118.30(10) . . ?
B9B Ru2B Ru1B 49.54(10) . . ?
B6B Ru2B Ru1B 99.60(10) . . ?
C21B Ru2B Ru1B 141.70(9) . . ?
C19B Ru2B Ru1B 95.22(9) . . ?
C18B Ru2B Ru1B 68.25(8) . . ?
C23B Ru2B Ru1B 76.53(9) . . ?
B5B Ru2B Ru1B 52.19(10) . . ?
C22B Ru2B Ru1B 109.26(9) . . ?
C24B P1B C30B 101.33(16) . . ?
C24B P1B C18B 105.20(16) . . ?
C30B P1B C18B 108.37(17) . . ?
C24B P1B Ru1B 123.46(12) . . ?
C30B P1B Ru1B 123.60(11) . . ?
C18B P1B Ru1B 92.26(11) . . ?
C42B P2B C48B 103.76(16) . . ?
C42B P2B C36B 103.23(16) . . ?
C48B P2B C36B 100.16(15) . . ?
C42B P2B Ru1B 112.54(11) . . ?
C48B P2B Ru1B 123.18(13) . . ?
C36B P2B Ru1B 111.62(11) . . ?
B6B O1B C11B 118.5(3) . . ?
C12B C1B B5B 129.1(3) . . ?
C12B C1B B4B 118.3(3) . . ?
B5B C1B B4B 70.3(2) . . ?
C12B C1B B3B 126.1(3) . . ?
B5B C1B B3B 104.1(3) . . ?
B4B C1B B3B 68.0(2) . . ?
C12B C1B Ru2B 123.8(2) . . ?
B5B C1B Ru2B 75.45(19) . . ?
B4B C1B Ru2B 117.7(2) . . ?
B3B C1B Ru2B 72.34(18) . . ?
C1B B3B B4B 55.5(2) . . ?
C1B B3B B7B 108.9(3) . . ?
B4B B3B B7B 58.5(2) . . ?
C1B B3B B6B 114.3(3) . . ?
B4B B3B B6B 102.7(3) . . ?
B7B B3B B6B 59.1(2) . . ?
C1B B3B Ru2B 63.26(17) . . ?
B4B B3B Ru2B 103.1(2) . . ?
B7B B3B Ru2B 112.0(2) . . ?
B6B B3B Ru2B 65.15(17) . . ?
C1B B3B H3B 119.5(17) . . ?
B4B B3B H3B 124.8(17) . . ?
B7B B3B H3B 117.5(17) . . ?
B6B B3B H3B 121.8(17) . . ?
Ru2B B3B H3B 123.5(17) . . ?
C1B B4B B8B 110.7(3) . . ?
C1B B4B B7B 112.1(3) . . ?
B8B B4B B7B 60.9(2) . . ?
C1B B4B B3B 56.5(2) . . ?
B8B B4B B3B 103.1(3) . . ?
B7B B4B B3B 61.0(2) . . ?
C1B B4B B5B 54.2(2) . . ?
B8B B4B B5B 60.5(2) . . ?
B7B B4B B5B 101.8(3) . . ?
B3B B4B B5B 88.0(2) . . ?
C1B B4B H4B 117.2(18) . . ?
B8B B4B H4B 124.6(17) . . ?
B7B B4B H4B 119.0(17) . . ?
B3B B4B H4B 125.6(17) . . ?
B5B B4B H4B 135.6(17) . . ?
C1B B5B B9B 114.2(3) . . ?
C1B B5B B8B 109.0(3) . . ?
B9B B5B B8B 60.3(2) . . ?
C1B B5B B4B 55.5(2) . . ?
B9B B5B B4B 101.1(3) . . ?
B8B B5B B4B 57.4(2) . . ?
C1B B5B Ru2B 62.15(17) . . ?
B9B B5B Ru2B 64.83(18) . . ?
B8B B5B Ru2B 111.8(2) . . ?
B4B B5B Ru2B 100.0(2) . . ?
C1B B5B Ru1B 132.3(2) . . ?
B9B B5B Ru1B 63.54(18) . . ?
B8B B5B Ru1B 108.8(2) . . ?
B4B B5B Ru1B 164.2(3) . . ?
Ru2B B5B Ru1B 77.35(12) . . ?
C1B B5B H5B 123.3(15) . . ?
B9B B5B H5B 117.1(15) . . ?
B8B B5B H5B 116.2(15) . . ?
B4B B5B H5B 130.8(15) . . ?
Ru2B B5B H5B 123.2(14) . . ?
Ru1B B5B H5B 60.0(14) . . ?
O1B B6B B10B 122.3(3) . . ?
O1B B6B B7B 127.2(3) . . ?
B10B B6B B7B 57.2(2) . . ?
O1B B6B B3B 118.1(3) . . ?
B10B B6B B3B 109.3(3) . . ?
B7B B6B B3B 58.5(2) . . ?
O1B B6B B9B 140.7(3) . . ?
B10B B6B B9B 54.1(2) . . ?
B7B B6B B9B 86.1(2) . . ?
B3B B6B B9B 96.1(2) . . ?
O1B B6B Ru2B 111.7(3) . . ?
B10B B6B Ru2B 117.4(2) . . ?
B7B B6B Ru2B 111.0(2) . . ?
B3B B6B Ru2B 64.52(18) . . ?
B9B B6B Ru2B 64.38(17) . . ?
B10B B7B B4B 112.3(3) . . ?
B10B B7B B8B 57.4(2) . . ?
B4B B7B B8B 59.0(2) . . ?
B10B B7B B3B 113.2(3) . . ?
B4B B7B B3B 60.5(2) . . ?
B8B B7B B3B 101.4(3) . . ?
B10B B7B B6B 57.8(2) . . ?
B4B B7B B6B 106.6(3) . . ?
B8B B7B B6B 93.3(3) . . ?
B3B B7B B6B 62.4(2) . . ?
B10B B7B H7B 124(2) . . ?
B4B B7B H7B 115(2) . . ?
B8B B7B H7B 132.8(19) . . ?
B3B B7B H7B 115(2) . . ?
B6B B7B H7B 129.0(19) . . ?
B10B B8B B4B 114.4(3) . . ?
B10B B8B B7B 58.7(2) . . ?
B4B B8B B7B 60.1(2) . . ?
B10B B8B B9B 56.5(2) . . ?
B4B B8B B9B 103.8(3) . . ?
B7B B8B B9B 90.3(3) . . ?
B10B B8B B5B 111.7(3) . . ?
B4B B8B B5B 62.1(2) . . ?
B7B B8B B5B 102.3(3) . . ?
B9B B8B B5B 59.3(2) . . ?
B10B B8B H8B 123(2) . . ?
B4B B8B H8B 116(2) . . ?
B7B B8B H8B 135(2) . . ?
B9B B8B H8B 130(2) . . ?
B5B B8B H8B 115(2) . . ?
B10B B9B B5B 113.9(3) . . ?
B10B B9B B8B 57.7(2) . . ?
B5B B9B B8B 60.4(2) . . ?
B10B B9B B6B 57.0(2) . . ?
B5B B9B B6B 103.8(3) . . ?
B8B B9B B6B 90.3(2) . . ?
B10B B9B Ru1B 158.2(3) . . ?
B5B B9B Ru1B 70.19(19) . . ?
B8B B9B Ru1B 113.8(2) . . ?
B6B B9B Ru1B 144.5(3) . . ?
B10B B9B Ru2B 120.8(2) . . ?
B5B B9B Ru2B 68.22(18) . . ?
B8B B9B Ru2B 114.6(2) . . ?
B6B B9B Ru2B 65.01(18) . . ?
Ru1B B9B Ru2B 80.94(14) . . ?
B10B B9B H9B 122.6(19) . . ?
B5B B9B H9B 109.3(19) . . ?
B8B B9B H9B 123.9(19) . . ?
B6B B9B H9B 140.8(19) . . ?
Ru1B B9B H9B 42.0(19) . . ?
Ru2B B9B H9B 109.1(19) . . ?
B9B B10B B8B 65.8(3) . . ?
B9B B10B B7B 99.0(3) . . ?
B8B B10B B7B 63.9(2) . . ?
B9B B10B B6B 68.8(3) . . ?
B8B B10B B6B 102.0(3) . . ?
B7B B10B B6B 65.0(3) . . ?
B9B B10B H10B 133.3(17) . . ?
B8B B10B H10B 130.6(17) . . ?
B7B B10B H10B 127.8(17) . . ?
B6B B10B H10B 126.9(16) . . ?
O1B C11B H11A 109.5 . . ?
O1B C11B H11C 109.5 . . ?
H11A C11B H11C 109.5 . . ?
O1B C11B H11D 109.5 . . ?
H11A C11B H11D 109.5 . . ?
H11C C11B H11D 109.5 . . ?
C13B C12B C17B 117.9(3) . . ?
C13B C12B C1B 120.7(3) . . ?
C17B C12B C1B 121.4(3) . . ?
C14B C13B C12B 121.3(4) . . ?
C14B C13B H13B 119.3 . . ?
C12B C13B H13B 119.3 . . ?
C15B C14B C13B 120.1(4) . . ?
C15B C14B H14B 119.9 . . ?
C13B C14B H14B 119.9 . . ?
C14B C15B C16B 119.6(4) . . ?
C14B C15B H15B 120.2 . . ?
C16B C15B H15B 120.2 . . ?
C17B C16B C15B 120.5(4) . . ?
C17B C16B H16B 119.7 . . ?
C15B C16B H16B 119.7 . . ?
C16B C17B C12B 120.4(3) . . ?
C16B C17B H17B 119.8 . . ?
C12B C17B H17B 119.8 . . ?
C19B C18B C23B 117.9(3) . . ?
C19B C18B P1B 119.7(3) . . ?
C23B C18B P1B 119.7(2) . . ?
C19B C18B Ru2B 71.29(18) . . ?
C23B C18B Ru2B 71.72(19) . . ?
P1B C18B Ru2B 111.98(16) . . ?
C20B C19B C18B 120.2(3) . . ?
C20B C19B Ru2B 70.08(19) . . ?
C18B C19B Ru2B 71.97(19) . . ?
C20B C19B H19B 119.2 . . ?
C18B C19B H19B 119.2 . . ?
Ru2B C19B H19B 119.2 . . ?
C21B C20B C19B 120.9(3) . . ?
C21B C20B Ru2B 72.99(19) . . ?
C19B C20B Ru2B 73.00(19) . . ?
C21B C20B H20B 119.3 . . ?
C19B C20B H20B 119.3 . . ?
Ru2B C20B H20B 119.3 . . ?
C20B C21B C22B 119.2(3) . . ?
C20B C21B Ru2B 70.4(2) . . ?
C22B C21B Ru2B 73.7(2) . . ?
C20B C21B H21B 120.1 . . ?
C22B C21B H21B 120.1 . . ?
Ru2B C21B H21B 120.1 . . ?
C23B C22B C21B 120.6(4) . . ?
C23B C22B Ru2B 71.0(2) . . ?
C21B C22B Ru2B 70.1(2) . . ?
C23B C22B H22B 118.8 . . ?
C21B C22B H22B 118.8 . . ?
Ru2B C22B H22B 118.8 . . ?
C22B C23B C18B 121.0(3) . . ?
C22B C23B Ru2B 73.4(2) . . ?
C18B C23B Ru2B 71.4(2) . . ?
C22B C23B H23B 119.1 . . ?
C18B C23B H23B 119.1 . . ?
Ru2B C23B H23B 119.1 . . ?
C29B C24B C25B 118.7(3) . . ?
C29B C24B P1B 120.5(3) . . ?
C25B C24B P1B 120.8(3) . . ?
C24B C25B C26B 120.8(4) . . ?
C24B C25B H25A 119.6 . . ?
C26B C25B H25A 119.6 . . ?
C27B C26B C25B 119.9(4) . . ?
C27B C26B H26B 120.1 . . ?
C25B C26B H26B 120.1 . . ?
C26B C27B C28B 120.7(4) . . ?
C26B C27B H27A 119.6 . . ?
C28B C27B H27A 119.6 . . ?
C27B C28B C29B 119.4(4) . . ?
C27B C28B H28B 120.3 . . ?
C29B C28B H28B 120.3 . . ?
C24B C29B C28B 120.5(4) . . ?
C24B C29B H29B 119.7 . . ?
C28B C29B H29B 119.7 . . ?
C31B C30B C35B 119.3(3) . . ?
C31B C30B P1B 123.0(3) . . ?
C35B C30B P1B 117.6(3) . . ?
C32B C31B C30B 119.5(4) . . ?
C32B C31B H31B 120.2 . . ?
C30B C31B H31B 120.2 . . ?
C33B C32B C31B 121.0(4) . . ?
C33B C32B H32B 119.5 . . ?
C31B C32B H32B 119.5 . . ?
C34B C33B C32B 120.0(4) . . ?
C34B C33B H33B 120.0 . . ?
C32B C33B H33B 120.0 . . ?
C33B C34B C35B 120.1(4) . . ?
C33B C34B H34B 119.9 . . ?
C35B C34B H34B 119.9 . . ?
C30B C35B C34B 120.0(4) . . ?
C30B C35B H35B 120.0 . . ?
C34B C35B H35B 120.0 . . ?
C41B C36B C37B 118.7(3) . . ?
C41B C36B P2B 118.3(3) . . ?
C37B C36B P2B 122.9(3) . . ?
C36B C37B C38B 120.0(4) . . ?
C36B C37B H37B 120.0 . . ?
C38B C37B H37B 120.0 . . ?
C39B C38B C37B 120.8(4) . . ?
C39B C38B H38A 119.6 . . ?
C37B C38B H38A 119.6 . . ?
C40B C39B C38B 118.8(4) . . ?
C40B C39B H39B 120.6 . . ?
C38B C39B H39B 120.6 . . ?
C39B C40B C41B 121.0(4) . . ?
C39B C40B H40B 119.5 . . ?
C41B C40B H40B 119.5 . . ?
C36B C41B C40B 120.7(4) . . ?
C36B C41B H41B 119.6 . . ?
C40B C41B H41B 119.6 . . ?
C43B C42B C47B 118.2(3) . . ?
C43B C42B P2B 123.2(3) . . ?
C47B C42B P2B 118.4(3) . . ?
C44B C43B C42B 121.0(4) . . ?
C44B C43B H43B 119.5 . . ?
C42B C43B H43B 119.5 . . ?
C43B C44B C45B 120.3(4) . . ?
C43B C44B H44B 119.8 . . ?
C45B C44B H44B 119.8 . . ?
C46B C45B C44B 119.1(4) . . ?
C46B C45B H45B 120.5 . . ?
C44B C45B H45B 120.5 . . ?
C47B C46B C45B 121.0(4) . . ?
C47B C46B H46B 119.5 . . ?
C45B C46B H46B 119.5 . . ?
C46B C47B C42B 120.3(4) . . ?
C46B C47B H47A 119.8 . . ?
C42B C47B H47A 119.8 . . ?
C49B C48B C53B 118.8(3) . . ?
C49B C48B P2B 122.2(3) . . ?
C53B C48B P2B 119.0(3) . . ?
C48B C49B C50B 120.9(4) . . ?
C48B C49B H49B 119.6 . . ?
C50B C49B H49B 119.6 . . ?
C51B C50B C49B 120.0(4) . . ?
C51B C50B H50B 120.0 . . ?
C49B C50B H50B 120.0 . . ?
C50B C51B C52B 119.7(4) . . ?
C50B C51B H51B 120.2 . . ?
C52B C51B H51B 120.2 . . ?
C53B C52B C51B 120.5(4) . . ?
C53B C52B H52B 119.8 . . ?
C51B C52B H52B 119.8 . . ?
C52B C53B C48B 120.2(4) . . ?
C52B C53B H53A 119.9 . . ?
C48B C53B H53A 119.9 . . ?
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
Ru1A P1A 2.2241(10) . ?
Ru1A B9A 2.234(4) . ?
Ru1A P2A 2.2726(10) . ?
Ru1A B5A 2.372(4) . ?
Ru1A Cl1A 2.4182(10) . ?
Ru1A Ru2A 2.9261(6) . ?
Ru1A H5A 2.00(3) . ?
Ru1A H9A 1.67(4) . ?
Ru2A C1A 2.083(3) . ?
Ru2A B9A 2.231(4) . ?
Ru2A C20A 2.234(4) . ?
Ru2A C21A 2.247(4) . ?
Ru2A B3A 2.253(4) . ?
Ru2A B6A 2.262(4) . ?
Ru2A C19A 2.265(3) . ?
Ru2A C18A 2.268(3) . ?
Ru2A C23A 2.283(3) . ?
Ru2A C22A 2.297(4) . ?
Ru2A B5A 2.306(4) . ?
P1A C24A 1.823(4) . ?
P1A C30A 1.824(3) . ?
P1A C18A 1.844(4) . ?
P2A C42A 1.832(4) . ?
P2A C48A 1.838(3) . ?
P2A C36A 1.840(3) . ?
O1A B6A 1.405(5) . ?
O1A C11A 1.433(5) . ?
C1A C12A 1.484(5) . ?
C1A B5A 1.600(5) . ?
C1A B4A 1.625(5) . ?
C1A B3A 1.641(6) . ?
B3A B4A 1.836(6) . ?
B3A B7A 1.848(6) . ?
B3A B6A 1.889(6) . ?
B3A H3A 1.10(3) . ?
B4A B8A 1.759(6) . ?
B4A B7A 1.785(7) . ?
B4A B5A 1.857(5) . ?
B4A H4A 1.06(3) . ?
B5A B9A 1.794(6) . ?
B5A B8A 1.803(6) . ?
B5A H5A 1.11(3) . ?
B6A B10A 1.728(6) . ?
B6A B7A 1.880(6) . ?
B6A B9A 1.944(6) . ?
B7A B10A 1.704(6) . ?
B7A B8A 1.785(6) . ?
B7A H7A 1.06(3) . ?
B8A B10A 1.692(6) . ?
B8A B9A 1.825(6) . ?
B8A H8A 1.10(4) . ?
B9A B10A 1.692(6) . ?
B9A H9A 1.25(4) . ?
B10A H10A 1.10(4) . ?
C11A H11B 0.9800 . ?
C11A H11F 0.9800 . ?
C11A H11G 0.9800 . ?
C12A C17A 1.393(5) . ?
C12A C13A 1.398(5) . ?
C13A C14A 1.370(6) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.382(6) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.378(6) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.375(6) . ?
C16A H16A 0.9500 . ?
C17A H17A 0.9500 . ?
C18A C19A 1.414(5) . ?
C18A C23A 1.435(5) . ?
C19A C20A 1.406(5) . ?
C19A H19A 1.0000 . ?
C20A C21A 1.411(6) . ?
C20A H20A 1.0000 . ?
C21A C22A 1.394(5) . ?
C21A H21A 1.0000 . ?
C22A C23A 1.413(5) . ?
C22A H22A 1.0000 . ?
C23A H23A 1.0000 . ?
C24A C29A 1.387(5) . ?
C24A C25A 1.402(5) . ?
C25A C26A 1.383(5) . ?
C25A H25B 0.9500 . ?
C26A C27A 1.372(5) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.386(5) . ?
C27A H27B 0.9500 . ?
C28A C29A 1.390(5) . ?
C28A H28A 0.9500 . ?
C29A H29A 0.9500 . ?
C30A C31A 1.395(5) . ?
C30A C35A 1.395(5) . ?
C31A C32A 1.399(5) . ?
C31A H31A 0.9500 . ?
C32A C33A 1.371(5) . ?
C32A H32A 0.9500 . ?
C33A C34A 1.392(6) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.384(5) . ?
C34A H34A 0.9500 . ?
C35A H35A 0.9500 . ?
C36A C41A 1.379(5) . ?
C36A C37A 1.394(5) . ?
C37A C38A 1.407(5) . ?
C37A H37A 0.9500 . ?
C38A C39A 1.383(6) . ?
C38A H38B 0.9500 . ?
C39A C40A 1.377(5) . ?
C39A H39A 0.9500 . ?
C40A C41A 1.387(5) . ?
C40A H40A 0.9500 . ?
C41A H41A 0.9500 . ?
C42A C43A 1.392(5) . ?
C42A C47A 1.398(5) . ?
C43A C44A 1.383(5) . ?
C43A H43A 0.9500 . ?
C44A C45A 1.389(5) . ?
C44A H44A 0.9500 . ?
C45A C46A 1.377(5) . ?
C45A H45A 0.9500 . ?
C46A C47A 1.379(5) . ?
C46A H46A 0.9500 . ?
C47A H47B 0.9500 . ?
C48A C49A 1.390(5) . ?
C48A C53A 1.391(5) . ?
C49A C50A 1.390(5) . ?
C49A H49A 0.9500 . ?
C50A C51A 1.379(6) . ?
C50A H50A 0.9500 . ?
C51A C52A 1.369(6) . ?
C51A H51A 0.9500 . ?
C52A C53A 1.388(5) . ?
C52A H52A 0.9500 . ?
C53A H53D 0.9500 . ?
Ru1B P1B 2.2412(10) . ?
Ru1B B9B 2.242(4) . ?
Ru1B P2B 2.2790(10) . ?
Ru1B B5B 2.356(4) . ?
Ru1B Cl1B 2.4299(9) . ?
Ru1B Ru2B 2.9101(6) . ?
Ru1B H5B 2.04(3) . ?
Ru1B H9B 1.56(4) . ?
Ru2B C1B 2.101(3) . ?
Ru2B C20B 2.221(3) . ?
Ru2B B3B 2.242(4) . ?
Ru2B B9B 2.242(4) . ?
Ru2B B6B 2.253(4) . ?
Ru2B C21B 2.255(3) . ?
Ru2B C19B 2.260(3) . ?
Ru2B C18B 2.268(3) . ?
Ru2B C23B 2.273(4) . ?
Ru2B B5B 2.300(4) . ?
Ru2B C22B 2.303(4) . ?
P1B C24B 1.823(4) . ?
P1B C30B 1.830(4) . ?
P1B C18B 1.837(4) . ?
P2B C42B 1.832(4) . ?
P2B C48B 1.834(4) . ?
P2B C36B 1.850(3) . ?
O1B B6B 1.410(5) . ?
O1B C11B 1.411(4) . ?
C1B C12B 1.498(5) . ?
C1B B5B 1.602(5) . ?
C1B B4B 1.627(5) . ?
C1B B3B 1.646(5) . ?
B3B B4B 1.829(5) . ?
B3B B7B 1.839(6) . ?
B3B B6B 1.911(6) . ?
B3B H3B 1.10(3) . ?
B4B B8B 1.773(6) . ?
B4B B7B 1.792(6) . ?
B4B B5B 1.859(6) . ?
B4B H4B 1.12(3) . ?
B5B B9B 1.810(6) . ?
B5B B8B 1.831(6) . ?
B5B H5B 1.22(3) . ?
B6B B10B 1.729(6) . ?
B6B B7B 1.851(6) . ?
B6B B9B 1.921(5) . ?
B7B B10B 1.718(6) . ?
B7B B8B 1.806(6) . ?
B7B H7B 1.04(4) . ?
B8B B10B 1.694(6) . ?
B8B B9B 1.828(6) . ?
B8B H8B 1.04(4) . ?
B9B B10B 1.670(6) . ?
B9B H9B 1.25(4) . ?
B10B H10B 1.08(3) . ?
C11B H11A 0.9800 . ?
C11B H11C 0.9800 . ?
C11B H11D 0.9800 . ?
C12B C13B 1.390(5) . ?
C12B C17B 1.402(5) . ?
C13B C14B 1.390(5) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.366(5) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.391(5) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.382(5) . ?
C16B H16B 0.9500 . ?
C17B H17B 0.9500 . ?
C18B C19B 1.427(5) . ?
C18B C23B 1.438(5) . ?
C19B C20B 1.419(5) . ?
C19B H19B 1.0000 . ?
C20B C21B 1.407(5) . ?
C20B H20B 1.0000 . ?
C21B C22B 1.417(5) . ?
C21B H21B 1.0000 . ?
C22B C23B 1.400(5) . ?
C22B H22B 1.0000 . ?
C23B H23B 1.0000 . ?
C24B C29B 1.382(5) . ?
C24B C25B 1.385(5) . ?
C25B C26B 1.387(5) . ?
C25B H25A 0.9500 . ?
C26B C27B 1.358(6) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.379(5) . ?
C27B H27A 0.9500 . ?
C28B C29B 1.392(5) . ?
C28B H28B 0.9500 . ?
C29B H29B 0.9500 . ?
C30B C31B 1.390(5) . ?
C30B C35B 1.392(5) . ?
C31B C32B 1.388(5) . ?
C31B H31B 0.9500 . ?
C32B C33B 1.371(6) . ?
C32B H32B 0.9500 . ?
C33B C34B 1.369(6) . ?
C33B H33B 0.9500 . ?
C34B C35B 1.396(5) . ?
C34B H34B 0.9500 . ?
C35B H35B 0.9500 . ?
C36B C41B 1.384(5) . ?
C36B C37B 1.389(5) . ?
C37B C38B 1.399(5) . ?
C37B H37B 0.9500 . ?
C38B C39B 1.378(5) . ?
C38B H38A 0.9500 . ?
C39B C40B 1.378(6) . ?
C39B H39B 0.9500 . ?
C40B C41B 1.384(5) . ?
C40B H40B 0.9500 . ?
C41B H41B 0.9500 . ?
C42B C43B 1.391(5) . ?
C42B C47B 1.405(5) . ?
C43B C44B 1.384(5) . ?
C43B H43B 0.9500 . ?
C44B C45B 1.388(6) . ?
C44B H44B 0.9500 . ?
C45B C46B 1.384(6) . ?
C45B H45B 0.9500 . ?
C46B C47B 1.378(5) . ?
C46B H46B 0.9500 . ?
C47B H47A 0.9500 . ?
C48B C49B 1.370(5) . ?
C48B C53B 1.412(5) . ?
C49B C50B 1.399(5) . ?
C49B H49B 0.9500 . ?
C50B C51B 1.382(6) . ?
C50B H50B 0.9500 . ?
C51B C52B 1.384(6) . ?
C51B H51B 0.9500 . ?
C52B C53B 1.381(5) . ?
C52B H52B 0.9500 . ?
C53B H53A 0.9500 . ?
