# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_compound_3_VPX162D_JB145
_database_code_depnum_ccdc_archive 'CCDC 2097079'
loop_
_audit_author_name
_audit_author_address
'Vincenzo Passarelli'
;Instituto de Sintesis Quimica y Catalisis Homogenea (CSIC)
Spain
;
_audit_update_record             
;
2021-07-16 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H43 B9 O P2 Ru'
_chemical_formula_sum            'C37 H43 B9 O P2 Ru'
_chemical_formula_weight         764.01

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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.562(3)
_cell_length_b                   15.544(5)
_cell_length_c                   22.521(8)
_cell_angle_alpha                89.307(7)
_cell_angle_beta                 88.185(4)
_cell_angle_gamma                89.273(5)
_cell_volume                     3695(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9713
_cell_measurement_theta_min      2.604
_cell_measurement_theta_max      28.297

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_F_000             1568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.542
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6634
_exptl_absorpt_correction_T_max  0.8496
_exptl_absorpt_process_details   
;
Sheldrick, G. M. (2008), TWINABS, University of Gottingen
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX DUO system'
_diffrn_measurement_method       'ω and φ rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_reflns_number            98919
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.310
_diffrn_reflns_theta_max         28.382
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18360
_reflns_number_gt                15215
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'SMART in APEX2 (Bruker AXS,2008)'
_computing_cell_refinement       'SAINT+ in APEX2 (Bruker AXS,2008)'
_computing_data_reduction        'SAINT+ in APEX2 (Bruker AXS,2008)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, PLATON(Spek, 1998)'
_refine_special_details          
;
 The collected reflections were analised with Cell Now (i) and were
 assigned to three different domains, 8.2% of the reflections
 remaining unassigned.
 The following twin matrixes (real space) relate the encountered domains:
 
 Domains 1 and 2 [1.000 -0.019 0.000 0.001 1.000 -0.003 0.002 -0.025 -1.000]
 Domains 1 and 3 [0.448 -0.552 0.248 -1.446 -0.448 -0.247 -0.001 -0.002 -1.000] 

 Only contributions fom domains 1 and 2 are significant:

    18202 data (   7549 unique ) involve domain  1 only,  mean I/sigma   9.4
    22114 data (   9024 unique ) involve domain  2 only,  mean I/sigma   6.3
    42162 data (  14645 unique ) involve domain  3 only,  mean I/sigma   0.5
    35160 data (  15710 unique ) involve   2 domains,  mean I/sigma  11.8
    12070 data (   6155 unique ) involve   3 domains,  mean I/sigma  12.9
        3 data (      3 unique ) involve   4 domains,  mean I/sigma   9.6

 Both single and composite contributions from domains 1 and 2 were used.

 Diffraction data have been corrected for absorption corrections with TWINABS (ii). 

i) Sheldrick, G. M., 2008, CELL_NOW, University of Göttingen
ii) Sheldrick, G. M. (2008), TWINABS, University of Gottingen

.............................................................................

 The asymmetric unit contains two chemically equivalent molecules.
 B-H hydrogen atoms of molecule 1 were encountered in the Fourier difference map
 and were refined freely.

 Molecule 2 presented static disorder. The disordered P(3) atom, the phenyl
 groups (C(39)>C(44), C(45)>C(50), C(51)>C(56), C(69)>C(74)) and the B9-cluster
 were included in the model using two sets of atomic coordinates with
 complementary occupancy factors (aprox. 0.50/0.50).
 AFIX, EADP and SADI restraints were used. Anisotropic refinement was applied
 to P(3), while disordered carbon and boron atoms were refined isotropically.
 C-H hydrogen atoms were included at calculated positions and refined
 according to the riding model. B-H hydrogen atoms were found in the 
 difference Fourier map and refined using SADI restraints
 and fixed isotropic displacement parameter (1.2 times the equivalent Ueq
 for the C/B atom attached).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0360P)²+6.5298P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18360
_refine_ls_number_parameters     911
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0925
_refine_ls_wR_factor_gt          0.0864
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C2 C 0.3626(2) 0.85226(13) 0.93094(10) 0.0142(4) Uani 1 1 d . . . . .
C3 C 0.2346(2) 0.84536(18) 0.94646(12) 0.0264(5) Uani 1 1 d . . . . .
H3 H 0.1775 0.8247 0.9183 0.032 Uiso 1 1 calc R U . . .
C4 C 0.1896(3) 0.8684(2) 1.00274(12) 0.0310(6) Uani 1 1 d . . . . .
H4 H 0.1020 0.8629 1.0128 0.037 Uiso 1 1 calc R U . . .
C5 C 0.2704(3) 0.89909(17) 1.04410(12) 0.0251(5) Uani 1 1 d . . . . .
H5 H 0.2392 0.9136 1.0828 0.030 Uiso 1 1 calc R U . . .
C6 C 0.3972(3) 0.90857(17) 1.02898(12) 0.0254(5) Uani 1 1 d . . . . .
H6 H 0.4532 0.9308 1.0570 0.030 Uiso 1 1 calc R U . . .
C7 C 0.4429(2) 0.88563(16) 0.97287(12) 0.0234(5) Uani 1 1 d . . . . .
H7 H 0.5302 0.8927 0.9628 0.028 Uiso 1 1 calc R U . . .
C14 C 0.3104(2) 0.81272(14) 0.80693(10) 0.0156(4) Uani 1 1 d . . . . .
C15 C 0.2104(2) 0.75692(14) 0.81955(11) 0.0183(5) Uani 1 1 d . . . . .
H15 H 0.2071 0.7259 0.8561 0.022 Uiso 1 1 calc R U . . .
C16 C 0.1155(2) 0.74646(15) 0.77898(13) 0.0247(5) Uani 1 1 d . . . . .
H16 H 0.0458 0.7103 0.7886 0.030 Uiso 1 1 calc R U . . .
C17 C 0.1224(3) 0.78888(15) 0.72431(13) 0.0284(6) Uani 1 1 d . . . . .
H17 H 0.0575 0.7816 0.6966 0.034 Uiso 1 1 calc R U . . .
C18 C 0.2236(3) 0.84174(15) 0.71010(12) 0.0249(5) Uani 1 1 d . . . . .
H18 H 0.2293 0.8693 0.6722 0.030 Uiso 1 1 calc R U . . .
C19 C 0.3169(2) 0.85458(14) 0.75123(11) 0.0198(5) Uani 1 1 d . . . . .
H19 H 0.3853 0.8918 0.7416 0.024 Uiso 1 1 calc R U . . .
C8 C 0.4906(2) 0.93551(13) 0.83705(10) 0.0141(4) Uani 1 1 d . . . . .
C13 C 0.6151(2) 0.95545(14) 0.82018(10) 0.0161(4) Uani 1 1 d . . . . .
H13 H 0.6778 0.9112 0.8175 0.019 Uiso 1 1 calc R U . . .
C12 C 0.6473(2) 1.04065(14) 0.80716(10) 0.0176(4) Uani 1 1 d . . . . .
H12 H 0.7325 1.0544 0.7967 0.021 Uiso 1 1 calc R U . . .
C11 C 0.5559(2) 1.10532(14) 0.80941(11) 0.0189(5) Uani 1 1 d . . . . .
H11 H 0.5785 1.1631 0.8004 0.023 Uiso 1 1 calc R U . . .
C10 C 0.4303(2) 1.08552(14) 0.82496(11) 0.0196(5) Uani 1 1 d . . . . .
H10 H 0.3671 1.1296 0.8258 0.023 Uiso 1 1 calc R U . . .
C9 C 0.3982(2) 1.00155(14) 0.83903(11) 0.0167(4) Uani 1 1 d . . . . .
H9 H 0.3131 0.9883 0.8501 0.020 Uiso 1 1 calc R U . . .
C20 C 0.5937(2) 0.49724(13) 0.86385(10) 0.0133(4) Uani 1 1 d . . . . .
C21 C 0.5416(2) 0.43348(14) 0.90078(11) 0.0181(4) Uani 1 1 d . . . . .
H21 H 0.4593 0.4416 0.9183 0.022 Uiso 1 1 calc R U . . .
C22 C 0.6097(2) 0.35758(15) 0.91219(11) 0.0206(5) Uani 1 1 d . . . . .
H22 H 0.5730 0.3143 0.9372 0.025 Uiso 1 1 calc R U . . .
C23 C 0.7299(3) 0.34497(15) 0.88733(11) 0.0222(5) Uani 1 1 d . . . . .
H23 H 0.7759 0.2934 0.8953 0.027 Uiso 1 1 calc R U . . .
C24 C 0.7831(2) 0.40857(15) 0.85050(11) 0.0208(5) Uani 1 1 d . . . . .
H24 H 0.8655 0.4002 0.8333 0.025 Uiso 1 1 calc R U . . .
C25 C 0.7161(2) 0.48431(14) 0.83884(11) 0.0168(4) Uani 1 1 d . . . . .
H25 H 0.7532 0.5274 0.8139 0.020 Uiso 1 1 calc R U . . .
C26 C 0.4890(2) 0.57967(14) 0.76357(10) 0.0141(4) Uani 1 1 d . . . . .
C27 C 0.4508(2) 0.64856(15) 0.72747(11) 0.0190(5) Uani 1 1 d . . . . .
H27 H 0.4401 0.7040 0.7443 0.023 Uiso 1 1 calc R U . . .
C28 C 0.4282(3) 0.63779(16) 0.66789(11) 0.0234(5) Uani 1 1 d . . . . .
H28 H 0.4011 0.6853 0.6443 0.028 Uiso 1 1 calc R U . . .
C29 C 0.4453(2) 0.55729(16) 0.64266(11) 0.0227(5) Uani 1 1 d . . . . .
H29 H 0.4322 0.5499 0.6015 0.027 Uiso 1 1 calc R U . . .
C30 C 0.4814(2) 0.48765(15) 0.67759(11) 0.0201(5) Uani 1 1 d . . . . .
H30 H 0.4915 0.4324 0.6604 0.024 Uiso 1 1 calc R U . . .
C31 C 0.5030(2) 0.49836(14) 0.73762(10) 0.0160(4) Uani 1 1 d . . . . .
H31 H 0.5274 0.4503 0.7612 0.019 Uiso 1 1 calc R U . . .
C32 C 0.3474(2) 0.57808(13) 0.87364(10) 0.0144(4) Uani 1 1 d . . . . .
C33 C 0.3188(2) 0.59704(15) 0.93323(11) 0.0189(5) Uani 1 1 d . . . . .
H33 H 0.3825 0.6192 0.9574 0.023 Uiso 1 1 calc R U . . .
C34 C 0.1978(2) 0.58362(16) 0.95707(11) 0.0217(5) Uani 1 1 d . . . . .
H34 H 0.1795 0.5956 0.9977 0.026 Uiso 1 1 calc R U . . .
C35 C 0.1034(2) 0.55284(15) 0.92187(12) 0.0209(5) Uani 1 1 d . . . . .
H35 H 0.0205 0.5442 0.9382 0.025 Uiso 1 1 calc R U . . .
C36 C 0.1306(2) 0.53482(15) 0.86286(12) 0.0212(5) Uani 1 1 d . . . . .
H36 H 0.0658 0.5142 0.8386 0.025 Uiso 1 1 calc R U . . .
C37 C 0.2521(2) 0.54657(14) 0.83856(11) 0.0187(5) Uani 1 1 d . . . . .
H37 H 0.2701 0.5332 0.7981 0.022 Uiso 1 1 calc R U . . .
C1 C 0.6654(2) 0.73974(14) 0.79020(11) 0.0177(4) Uani 1 1 d . . . . .
O1 O 0.70880(18) 0.74655(11) 0.74312(8) 0.0252(4) Uani 1 1 d . . . . .
B1 B 0.9003(2) 0.73921(17) 0.93925(12) 0.0173(5) Uani 1 1 d . . . . .
B2 B 0.7935(2) 0.67028(16) 0.90480(12) 0.0158(5) Uani 1 1 d . . . . .
B3 B 0.8130(3) 0.66197(17) 0.98277(12) 0.0181(5) Uani 1 1 d . . . . .
B4 B 0.8645(3) 0.75926(18) 1.01607(13) 0.0209(5) Uani 1 1 d . . . . .
B5 B 0.8033(2) 0.78357(16) 0.88587(12) 0.0163(5) Uani 1 1 d . . . . .
B7 B 0.6591(2) 0.65411(16) 0.95652(12) 0.0159(5) Uani 1 1 d . . . . .
B8 B 0.7088(3) 0.71924(19) 1.02970(13) 0.0215(5) Uani 1 1 d . . . . .
B9 B 0.7400(3) 0.83136(19) 1.02286(13) 0.0226(6) Uani 1 1 d . . . . .
B10 B 0.8493(3) 0.84206(17) 0.96079(13) 0.0200(5) Uani 1 1 d . . . . .
P1 P 0.43847(5) 0.82619(3) 0.85863(3) 0.01295(11) Uani 1 1 d . . . . .
P2 P 0.50746(5) 0.59591(3) 0.84338(3) 0.01239(11) Uani 1 1 d . . . . .
Ru6 Ru 0.60778(2) 0.72592(2) 0.86920(2) 0.01159(4) Uani 1 1 d . . . . .
P3A P -0.0522(7) 0.6720(5) 0.3627(2) 0.0111(7) Uani 0.521(3) 1 d D . P A 1
C39A C 0.0041(3) 0.56229(15) 0.3437(2) 0.0122(11) Uiso 0.521(3) 1 d DG . P A 1
C40A C -0.0857(2) 0.49778(19) 0.34842(19) 0.0168(9) Uiso 0.521(3) 1 d G . P A 1
H40A H -0.1708 0.5116 0.3599 0.020 Uiso 0.521(3) 1 calc R U P A 1
C41A C -0.0510(3) 0.41306(16) 0.3364(2) 0.0217(10) Uiso 0.521(3) 1 d G . P A 1
H41A H -0.1124 0.3690 0.3396 0.026 Uiso 0.521(3) 1 calc R U P A 1
C42A C 0.0735(3) 0.39285(16) 0.3196(2) 0.0215(11) Uiso 0.521(3) 1 d G . P A 1
H42A H 0.0972 0.3350 0.3114 0.026 Uiso 0.521(3) 1 calc R U P A 1
C43A C 0.1633(2) 0.4574(2) 0.3148(2) 0.0182(14) Uiso 0.521(3) 1 d G . P A 1
H43A H 0.2484 0.4435 0.3034 0.022 Uiso 0.521(3) 1 calc R U P A 1
C44A C 0.1286(3) 0.54208(19) 0.3269(2) 0.0155(15) Uiso 0.521(3) 1 d G . P A 1
H44A H 0.1900 0.5862 0.3236 0.019 Uiso 0.521(3) 1 calc R U P A 1
C45A C -0.1354(3) 0.6472(2) 0.43464(10) 0.0161(10) Uiso 0.521(3) 1 d DG . P A 1
C46A C -0.2654(3) 0.6362(2) 0.44229(11) 0.0207(10) Uiso 0.521(3) 1 d G . P A 1
H46A H -0.3190 0.6434 0.4095 0.025 Uiso 0.521(3) 1 calc R U P A 1
C47A C -0.3169(2) 0.6146(2) 0.49797(13) 0.0252(11) Uiso 0.521(3) 1 d G . P A 1
H47A H -0.4056 0.6071 0.5032 0.030 Uiso 0.521(3) 1 calc R U P A 1
C48A C -0.2384(3) 0.6040(2) 0.54599(10) 0.0183(9) Uiso 0.521(3) 1 d G . P A 1
H48A H -0.2736 0.5892 0.5840 0.022 Uiso 0.521(3) 1 calc R U P A 1
C49A C -0.1085(3) 0.6150(2) 0.53834(11) 0.0244(10) Uiso 0.521(3) 1 d G . P A 1
H49A H -0.0549 0.6077 0.5712 0.029 Uiso 0.521(3) 1 calc R U P A 1
C50A C -0.0570(2) 0.6366(2) 0.48267(13) 0.0210(10) Uiso 0.521(3) 1 d G . P A 1
H50A H 0.0318 0.6441 0.4774 0.025 Uiso 0.521(3) 1 calc R U P A 1
C51A C -0.1791(2) 0.6877(2) 0.30853(13) 0.0106(10) Uiso 0.521(3) 1 d DG . P A 1
C52A C -0.1681(3) 0.6477(2) 0.25369(15) 0.0186(9) Uiso 0.521(3) 1 d G . P A 1
H52A H -0.0960 0.6126 0.2443 0.022 Uiso 0.521(3) 1 calc R U P A 1
C53A C -0.2625(3) 0.6590(2) 0.21260(13) 0.0211(10) Uiso 0.521(3) 1 d G . P A 1
H53A H -0.2550 0.6317 0.1751 0.025 Uiso 0.521(3) 1 calc R U P A 1
C54A C -0.3679(3) 0.7103(2) 0.22634(14) 0.0188(10) Uiso 0.521(3) 1 d G . P A 1
H54A H -0.4324 0.7180 0.1983 0.023 Uiso 0.521(3) 1 calc R U P A 1
C55A C -0.3789(2) 0.7502(2) 0.28117(14) 0.0192(9) Uiso 0.521(3) 1 d G . P A 1
H55A H -0.4509 0.7853 0.2906 0.023 Uiso 0.521(3) 1 calc R U P A 1
C56A C -0.2845(3) 0.7389(2) 0.32227(11) 0.0151(9) Uiso 0.521(3) 1 d G . P A 1
H56A H -0.2920 0.7662 0.3597 0.018 Uiso 0.521(3) 1 calc R U P A 1
P3B P -0.0516(8) 0.6777(5) 0.3504(3) 0.0129(9) Uani 0.479(3) 1 d D . P A 2
C39B C -0.0002(3) 0.56659(15) 0.3293(2) 0.0164(13) Uiso 0.479(3) 1 d DG . P A 2
C40B C -0.0944(3) 0.50497(19) 0.3286(2) 0.0149(10) Uiso 0.479(3) 1 d G . P A 2
H40B H -0.1800 0.5209 0.3373 0.018 Uiso 0.479(3) 1 calc R U P A 2
C41B C -0.0632(3) 0.42013(17) 0.31517(19) 0.0143(9) Uiso 0.479(3) 1 d G . P A 2
H41B H -0.1275 0.3780 0.3147 0.017 Uiso 0.479(3) 1 calc R U P A 2
C42B C 0.0622(3) 0.39689(16) 0.3024(2) 0.0128(10) Uiso 0.479(3) 1 d G . P A 2
H42B H 0.0835 0.3389 0.2932 0.015 Uiso 0.479(3) 1 calc R U P A 2
C43B C 0.1564(2) 0.4585(2) 0.3031(2) 0.0131(14) Uiso 0.479(3) 1 d G . P A 2
H43B H 0.2420 0.4426 0.2944 0.016 Uiso 0.479(3) 1 calc R U P A 2
C44B C 0.1252(3) 0.5434(2) 0.3166(2) 0.0146(16) Uiso 0.479(3) 1 d G . P A 2
H44B H 0.1895 0.5855 0.3171 0.018 Uiso 0.479(3) 1 calc R U P A 2
C45B C -0.1239(3) 0.6588(2) 0.42525(11) 0.0096(10) Uiso 0.479(3) 1 d DG . P A 2
C46B C -0.2118(3) 0.71850(17) 0.44749(13) 0.0182(10) Uiso 0.479(3) 1 d G . P A
2
H46B H -0.2343 0.7673 0.4241 0.022 Uiso 0.479(3) 1 calc R U P A 2
C47B C -0.2666(3) 0.70676(19) 0.50388(14) 0.0228(11) Uiso 0.479(3) 1 d G . P A
2
H47B H -0.3266 0.7475 0.5191 0.027 Uiso 0.479(3) 1 calc R U P A 2
C48B C -0.2336(3) 0.6353(2) 0.53803(12) 0.0257(12) Uiso 0.479(3) 1 d G . P A 2
H48B H -0.2711 0.6273 0.5766 0.031 Uiso 0.479(3) 1 calc R U P A 2
C49B C -0.1457(3) 0.57567(19) 0.51580(14) 0.0290(12) Uiso 0.479(3) 1 d G . P A
2
H49B H -0.1232 0.5269 0.5391 0.035 Uiso 0.479(3) 1 calc R U P A 2
C50B C -0.0909(3) 0.58741(18) 0.45941(15) 0.0210(11) Uiso 0.479(3) 1 d G . P A
2
H50B H -0.0309 0.5466 0.4442 0.025 Uiso 0.479(3) 1 calc R U P A 2
C51B C -0.1812(3) 0.6868(2) 0.29726(14) 0.0185(14) Uiso 0.479(3) 1 d DG . P A 2
C52B C -0.1481(2) 0.6644(2) 0.23920(16) 0.0185(10) Uiso 0.479(3) 1 d G . P A 2
H52B H -0.0643 0.6451 0.2295 0.022 Uiso 0.479(3) 1 calc R U P A 2
C53B C -0.2375(3) 0.6702(2) 0.19531(13) 0.0170(10) Uiso 0.479(3) 1 d G . P A 2
H53B H -0.2149 0.6549 0.1556 0.020 Uiso 0.479(3) 1 calc R U P A 2
C54B C -0.3600(3) 0.6985(2) 0.20948(15) 0.0179(10) Uiso 0.479(3) 1 d G . P A 2
H54B H -0.4211 0.7025 0.1795 0.021 Uiso 0.479(3) 1 calc R U P A 2
C55B C -0.3931(2) 0.7209(2) 0.26754(16) 0.0196(10) Uiso 0.479(3) 1 d G . P A 2
H55B H -0.4768 0.7402 0.2772 0.024 Uiso 0.479(3) 1 calc R U P A 2
C56B C -0.3037(3) 0.7150(3) 0.31143(13) 0.0208(11) Uiso 0.479(3) 1 d G . P A 2
H56B H -0.3263 0.7303 0.3511 0.025 Uiso 0.479(3) 1 calc R U P A 2
C69A C -0.1529(3) 0.9173(3) 0.37274(17) 0.017(2) Uiso 0.485(10) 1 d G . P B 1
C70A C -0.1788(3) 0.8976(4) 0.43222(15) 0.0167(12) Uiso 0.485(10) 1 d G . P B 1
H70A H -0.1130 0.8770 0.4567 0.020 Uiso 0.485(10) 1 calc R U P B 1
C71A C -0.3011(3) 0.9079(4) 0.45595(13) 0.0214(14) Uiso 0.485(10) 1 d G . P B 1
H71A H -0.3188 0.8944 0.4966 0.026 Uiso 0.485(10) 1 calc R U P B 1
C72A C -0.3974(3) 0.9379(3) 0.42021(19) 0.0235(16) Uiso 0.485(10) 1 d G . P B 1
H72A H -0.4810 0.9450 0.4364 0.028 Uiso 0.485(10) 1 calc R U P B 1
C73A C -0.3715(4) 0.9576(4) 0.36073(19) 0.024(2) Uiso 0.485(10) 1 d G . P B 1
H73A H -0.4374 0.9782 0.3363 0.029 Uiso 0.485(10) 1 calc R U P B 1
C74A C -0.2493(5) 0.9473(4) 0.33700(15) 0.0179(16) Uiso 0.485(10) 1 d G . P B 1
H74A H -0.2315 0.9608 0.2963 0.021 Uiso 0.485(10) 1 calc R U P B 1
C69B C -0.1510(3) 0.9271(3) 0.36942(15) 0.0118(17) Uiso 0.515(10) 1 d G . P B 2
C70B C -0.1683(3) 0.9331(4) 0.43067(14) 0.0204(12) Uiso 0.515(10) 1 d G . P B 2
H70B H -0.0976 0.9280 0.4556 0.024 Uiso 0.515(10) 1 calc R U P B 2
C71B C -0.2890(3) 0.9467(4) 0.45547(12) 0.0238(13) Uiso 0.515(10) 1 d G . P B 2
H71B H -0.3008 0.9508 0.4973 0.029 Uiso 0.515(10) 1 calc R U P B 2
C72B C -0.3924(3) 0.9542(3) 0.41901(18) 0.0235(15) Uiso 0.515(10) 1 d G . P B 2
H72B H -0.4749 0.9635 0.4360 0.028 Uiso 0.515(10) 1 calc R U P B 2
C73B C -0.3751(4) 0.9482(4) 0.35775(17) 0.023(2) Uiso 0.515(10) 1 d G . P B 2
H73B H -0.4458 0.9533 0.3328 0.028 Uiso 0.515(10) 1 calc R U P B 2
C74B C -0.2544(4) 0.9346(3) 0.33296(12) 0.0195(16) Uiso 0.515(10) 1 d G . P B 2
H74B H -0.2426 0.9305 0.2911 0.023 Uiso 0.515(10) 1 calc R U P B 2
B11A B 0.3220(6) 0.8402(5) 0.4816(2) 0.0158(13) Uiso 0.529(8) 1 d D . P A 1
B12A B 0.3003(10) 0.8285(6) 0.4039(4) 0.0146(7) Uiso 0.529(8) 1 d D . P A 1
B13A B 0.4094(6) 0.7604(5) 0.4408(3) 0.0164(15) Uiso 0.529(8) 1 d D . P A 1
B14A B 0.3765(5) 0.7443(4) 0.5187(2) 0.0208(12) Uiso 0.529(8) 1 d D . P A 1
B15A B 0.1678(7) 0.8478(4) 0.4558(3) 0.0157(7) Uiso 0.529(8) 1 d D . P A 1
B17A B 0.3130(6) 0.7142(4) 0.3906(3) 0.0160(7) Uiso 0.529(8) 1 d D . P A 1
B18A B 0.3629(6) 0.6592(4) 0.4683(3) 0.0216(12) Uiso 0.529(8) 1 d D . P A 1
B19A B 0.2541(5) 0.6741(3) 0.5295(3) 0.0221(13) Uiso 0.529(8) 1 d D . P A 1
B20A B 0.2225(5) 0.7872(4) 0.5320(3) 0.0205(12) Uiso 0.529(8) 1 d D . P A 1
B11B B 0.3062(6) 0.8162(5) 0.4814(3) 0.0159(14) Uiso 0.471(8) 1 d D . P A 2
B12B B 0.2962(11) 0.8206(7) 0.4027(4) 0.0146(7) Uiso 0.471(8) 1 d D . P A 2
B13B B 0.3954(6) 0.7416(5) 0.4361(3) 0.0146(16) Uiso 0.471(8) 1 d D . P A 2
B14B B 0.3479(5) 0.7125(4) 0.5105(2) 0.0156(13) Uiso 0.471(8) 1 d D . P A 2
B15B B 0.1571(8) 0.8355(5) 0.4508(3) 0.0157(7) Uiso 0.471(8) 1 d D . P A 2
B17B B 0.3043(7) 0.7105(4) 0.3778(3) 0.0160(7) Uiso 0.471(8) 1 d D . P A 2
B18B B 0.3373(5) 0.6397(3) 0.4511(3) 0.0135(12) Uiso 0.471(8) 1 d D . P A 2
B19B B 0.2205(6) 0.6459(4) 0.5104(3) 0.0180(14) Uiso 0.471(8) 1 d D . P A 2
B20B B 0.1940(6) 0.7584(4) 0.5224(3) 0.0173(13) Uiso 0.471(8) 1 d D . P A 2
C38 C 0.1727(2) 0.76106(15) 0.28776(13) 0.0244(5) Uani 1 1 d . . . . .
C57 C 0.0945(2) 1.00222(13) 0.36012(10) 0.0165(4) Uani 1 1 d . . . . .
C58 C 0.0400(2) 1.06715(15) 0.39551(11) 0.0222(5) Uani 1 1 d . . . . .
H58 H -0.0434 1.0612 0.4119 0.027 Uiso 1 1 calc R U . . .
C59 C 0.1094(3) 1.14066(16) 0.40639(13) 0.0296(6) Uani 1 1 d . . . . .
H59 H 0.0735 1.1843 0.4311 0.036 Uiso 1 1 calc R U . . .
C60 C 0.2297(3) 1.15080(16) 0.38178(13) 0.0318(6) Uani 1 1 d . . . . .
H60 H 0.2755 1.2017 0.3889 0.038 Uiso 1 1 calc R U . . .
C61 C 0.2837(3) 1.08643(16) 0.34653(12) 0.0265(6) Uani 1 1 d . . . . .
H61 H 0.3667 1.0930 0.3297 0.032 Uiso 1 1 calc R U . . .
C62 C 0.2161(2) 1.01283(14) 0.33609(11) 0.0194(5) Uani 1 1 d . . . . .
H62 H 0.2534 0.9689 0.3121 0.023 Uiso 1 1 calc R U . . .
C63 C -0.0088(2) 0.92563(15) 0.26014(11) 0.0185(5) Uani 1 1 d . . . . .
C64 C -0.0442(3) 0.85825(18) 0.22399(12) 0.0268(5) Uani 1 1 d . . . . .
H64 H -0.0545 0.8023 0.2407 0.032 Uiso 1 1 calc R U . . .
C65 C -0.0646(3) 0.87198(19) 0.16392(12) 0.0304(6) Uani 1 1 d . . . . .
H65 H -0.0889 0.8254 0.1401 0.036 Uiso 1 1 calc R U . . .
C66 C -0.0496(3) 0.95289(19) 0.13857(12) 0.0283(6) Uani 1 1 d . . . . .
H66 H -0.0625 0.9618 0.0974 0.034 Uiso 1 1 calc R U . . .
C67 C -0.0156(2) 1.02092(18) 0.17398(12) 0.0254(5) Uani 1 1 d . . . . .
H67 H -0.0061 1.0768 0.1570 0.030 Uiso 1 1 calc R U . . .
C68 C 0.0048(2) 1.00740(16) 0.23433(11) 0.0212(5) Uani 1 1 d . . . . .
H68 H 0.0281 1.0543 0.2581 0.025 Uiso 1 1 calc R U . . .
O2 O 0.2164(2) 0.75478(13) 0.24085(10) 0.0354(5) Uani 1 1 d . . . . .
P4 P 0.00962(6) 0.90535(4) 0.34000(3) 0.01477(11) Uani 1 1 d . . . . .
Ru16 Ru 0.11388(2) 0.77384(2) 0.36633(2) 0.01756(5) Uani 1 1 d D . . . .
H11X H 0.363(6) 0.900(3) 0.497(2) 0.021 Uiso 0.529(8) 1 d D U P A 1
H12X H 0.358(6) 0.872(4) 0.377(4) 0.021 Uiso 0.529(8) 1 d D U P A 1
H13X H 0.511(4) 0.762(4) 0.425(4) 0.021 Uiso 0.529(8) 1 d D U P A 1
H14X H 0.447(5) 0.747(4) 0.553(2) 0.021 Uiso 0.529(8) 1 d D U P A 1
H15X H 0.107(7) 0.901(3) 0.472(3) 0.021 Uiso 0.529(8) 1 d D U P A 1
H17X H 0.359(8) 0.687(6) 0.351(3) 0.021 Uiso 0.529(8) 1 d D U P A 1
H18X H 0.425(5) 0.599(3) 0.465(3) 0.021 Uiso 0.529(8) 1 d D U P A 1
H19X H 0.236(5) 0.626(3) 0.563(2) 0.021 Uiso 0.529(8) 1 d D U P A 1
H20X H 0.178(5) 0.814(4) 0.5730(19) 0.021 Uiso 0.529(8) 1 d D U P A 1
H56X H 0.077(4) 0.802(3) 0.4407(16) 0.021 Uiso 0.529(8) 1 d D U P A 1
H76X H 0.189(3) 0.688(2) 0.395(3) 0.021 Uiso 0.529(8) 1 d D U P A 1
H89X H 0.252(4) 0.639(4) 0.478(2) 0.021 Uiso 0.529(8) 1 d D U P A 1
H90X H 0.156(4) 0.726(3) 0.523(3) 0.021 Uiso 0.529(8) 1 d D U P A 1
H11Y H 0.339(7) 0.874(3) 0.504(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H12Y H 0.332(7) 0.879(4) 0.381(4) 0.021 Uiso 0.471(8) 1 d D U P A 2
H13Y H 0.498(4) 0.742(4) 0.423(4) 0.021 Uiso 0.471(8) 1 d D U P A 2
H14Y H 0.413(6) 0.710(4) 0.547(2) 0.021 Uiso 0.471(8) 1 d D U P A 2
H15Y H 0.130(8) 0.903(3) 0.459(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H17Y H 0.356(9) 0.684(7) 0.340(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H18Y H 0.390(5) 0.576(3) 0.449(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H19Y H 0.189(6) 0.593(3) 0.538(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H20Y H 0.161(6) 0.776(4) 0.568(2) 0.021 Uiso 0.471(8) 1 d D U P A 2
H56Y H 0.075(5) 0.779(4) 0.4434(16) 0.021 Uiso 0.471(8) 1 d D U P A 2
H76Y H 0.183(3) 0.680(2) 0.384(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H89Y H 0.225(4) 0.620(4) 0.457(2) 0.021 Uiso 0.471(8) 1 d D U P A 2
H90Y H 0.129(4) 0.703(3) 0.502(3) 0.021 Uiso 0.471(8) 1 d D U P A 2
H1B H 0.999(3) 0.7352(19) 0.9271(14) 0.029(8) Uiso 1 1 d . . . . .
H2B H 0.842(3) 0.6226(18) 0.8797(13) 0.019(7) Uiso 1 1 d . . . . .
H3B H 0.853(3) 0.6020(18) 1.0016(13) 0.021(7) Uiso 1 1 d . . . . .
H4B H 0.942(3) 0.7554(19) 1.0465(14) 0.028(8) Uiso 1 1 d . . . . .
H5B H 0.853(3) 0.8130(19) 0.8464(14) 0.025(8) Uiso 1 1 d . . . . .
H7B H 0.615(3) 0.5955(17) 0.9677(12) 0.014(6) Uiso 1 1 d . . . . .
H8B H 0.670(3) 0.6960(18) 1.0707(14) 0.024(8) Uiso 1 1 d . . . . .
H9B H 0.718(3) 0.8801(19) 1.0545(14) 0.028(8) Uiso 1 1 d . . . . .
H10B H 0.906(3) 0.8974(18) 0.9550(13) 0.023(7) Uiso 1 1 d . . . . .
H65B H 0.692(3) 0.805(2) 0.8910(15) 0.035(9) Uiso 1 1 d . . . . .
H76B H 0.572(3) 0.7097(17) 0.9455(12) 0.016(7) Uiso 1 1 d . . . . .
H89B H 0.646(3) 0.7829(19) 1.0150(14) 0.028(8) Uiso 1 1 d . . . . .
H90B H 0.743(3) 0.865(2) 0.9709(15) 0.040(9) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C2 C3 1.391(3) . ?
C2 C7 1.397(3) . ?
C2 P1 1.839(2) . ?
C3 C4 1.389(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C14 C15 1.396(3) . ?
C14 C19 1.406(3) . ?
C14 P1 1.828(2) . ?
C15 C16 1.390(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.383(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C8 C13 1.395(3) . ?
C8 C9 1.407(3) . ?
C8 P1 1.848(2) . ?
C13 C12 1.397(3) . ?
C13 H13 0.9500 . ?
C12 C11 1.385(3) . ?
C12 H12 0.9500 . ?
C11 C10 1.399(3) . ?
C11 H11 0.9500 . ?
C10 C9 1.383(3) . ?
C10 H10 0.9500 . ?
C9 H9 0.9500 . ?
C20 C21 1.394(3) . ?
C20 C25 1.406(3) . ?
C20 P2 1.836(2) . ?
C21 C22 1.399(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.400(3) . ?
C26 C31 1.403(3) . ?
C26 P2 1.835(2) . ?
C27 C28 1.383(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(3) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.396(3) . ?
C32 C33 1.400(3) . ?
C32 P2 1.826(2) . ?
C33 C34 1.388(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.392(3) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C1 O1 1.146(3) . ?
C1 Ru6 1.873(3) . ?
B1 B5 1.735(4) . ?
B1 B10 1.750(4) . ?
B1 B2 1.768(4) . ?
B1 B3 1.787(4) . ?
B1 B4 1.789(4) . ?
B1 H1B 1.07(3) . ?
B2 B3 1.777(4) . ?
B2 B5 1.810(4) . ?
B2 B7 1.826(4) . ?
B2 Ru6 2.298(3) . ?
B2 H2B 1.05(3) . ?
B3 B8 1.745(4) . ?
B3 B7 1.753(4) . ?
B3 B4 1.794(4) . ?
B3 H3B 1.11(3) . ?
B4 B9 1.721(4) . ?
B4 B8 1.782(4) . ?
B4 B10 1.789(4) . ?
B4 H4B 1.09(3) . ?
B5 B10 2.003(4) . ?
B5 Ru6 2.305(3) . ?
B5 H5B 1.11(3) . ?
B5 H65B 1.22(3) . ?
B7 B8 2.031(4) . ?
B7 Ru6 2.325(3) . ?
B7 H7B 1.05(3) . ?
B7 H76B 1.28(3) . ?
B8 B9 1.782(4) . ?
B8 H8B 1.06(3) . ?
B8 H89B 1.23(3) . ?
B9 B10 1.792(4) . ?
B9 H9B 1.06(3) . ?
B9 H89B 1.27(3) . ?
B9 H90B 1.28(3) . ?
B10 H10B 1.06(3) . ?
B10 H90B 1.20(3) . ?
P1 Ru6 2.3731(8) . ?
P2 Ru6 2.3806(8) . ?
Ru6 H65B 1.61(3) . ?
Ru6 H76B 1.76(3) . ?
P3A C39A 1.849(7) . ?
P3A C51A 1.852(7) . ?
P3A C45A 1.858(6) . ?
P3A Ru16 2.382(8) . ?
C39A C40A 1.3900 . ?
C39A C44A 1.3900 . ?
C40A C41A 1.3900 . ?
C40A H40A 0.9500 . ?
C41A C42A 1.3900 . ?
C41A H41A 0.9500 . ?
C42A C43A 1.3900 . ?
C42A H42A 0.9500 . ?
C43A C44A 1.3900 . ?
C43A H43A 0.9500 . ?
C44A H44A 0.9500 . ?
C45A C46A 1.3900 . ?
C45A C50A 1.3900 . ?
C46A C47A 1.3900 . ?
C46A H46A 0.9500 . ?
C47A C48A 1.3900 . ?
C47A H47A 0.9500 . ?
C48A C49A 1.3900 . ?
C48A H48A 0.9500 . ?
C49A C50A 1.3900 . ?
C49A H49A 0.9500 . ?
C50A H50A 0.9500 . ?
C51A C52A 1.3900 . ?
C51A C56A 1.3900 . ?
C52A C53A 1.3900 . ?
C52A H52A 0.9500 . ?
C53A C54A 1.3900 . ?
C53A H53A 0.9500 . ?
C54A C55A 1.3900 . ?
C54A H54A 0.9500 . ?
C55A C56A 1.3900 . ?
C55A H55A 0.9500 . ?
C56A H56A 0.9500 . ?
P3B C51B 1.849(8) . ?
P3B C45B 1.851(7) . ?
P3B C39B 1.866(8) . ?
P3B Ru16 2.353(9) . ?
C39B C40B 1.3900 . ?
C39B C44B 1.3900 . ?
C40B C41B 1.3900 . ?
C40B H40B 0.9500 . ?
C41B C42B 1.3900 . ?
C41B H41B 0.9500 . ?
C42B C43B 1.3900 . ?
C42B H42B 0.9500 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9500 . ?
C44B H44B 0.9500 . ?
C45B C46B 1.3900 . ?
C45B C50B 1.3900 . ?
C46B C47B 1.3900 . ?
C46B H46B 0.9500 . ?
C47B C48B 1.3900 . ?
C47B H47B 0.9500 . ?
C48B C49B 1.3900 . ?
C48B H48B 0.9500 . ?
C49B C50B 1.3900 . ?
C49B H49B 0.9500 . ?
C50B H50B 0.9500 . ?
C51B C52B 1.3900 . ?
C51B C56B 1.3900 . ?
C52B C53B 1.3900 . ?
C52B H52B 0.9500 . ?
C53B C54B 1.3900 . ?
C53B H53B 0.9500 . ?
C54B C55B 1.3900 . ?
C54B H54B 0.9500 . ?
C55B C56B 1.3900 . ?
C55B H55B 0.9500 . ?
C56B H56B 0.9500 . ?
C69A C70A 1.3900 . ?
C69A C74A 1.3900 . ?
C69A P4 1.855(3) . ?
C70A C71A 1.3900 . ?
C70A H70A 0.9500 . ?
C71A C72A 1.3900 . ?
C71A H71A 0.9500 . ?
C72A C73A 1.3900 . ?
C72A H72A 0.9500 . ?
C73A C74A 1.3900 . ?
C73A H73A 0.9500 . ?
C74A H74A 0.9500 . ?
C69B C70B 1.3900 . ?
C69B C74B 1.3900 . ?
C69B P4 1.831(3) . ?
C70B C71B 1.3900 . ?
C70B H70B 0.9500 . ?
C71B C72B 1.3900 . ?
C71B H71B 0.9500 . ?
C72B C73B 1.3900 . ?
C72B H72B 0.9500 . ?
C73B C74B 1.3900 . ?
C73B H73B 0.9500 . ?
C74B H74B 0.9500 . ?
B11A B20A 1.732(8) . ?
B11A B15A 1.749(9) . ?
B11A B12A 1.782(9) . ?
B11A B13A 1.783(8) . ?
B11A B14A 1.797(8) . ?
B11A H11X 1.10(4) . ?
B12A B13A 1.773(9) . ?
B12A B17A 1.808(11) . ?
B12A B15A 1.818(13) . ?
B12A Ru16 2.341(10) . ?
B12A H12X 1.09(3) . ?
B13A B17A 1.715(9) . ?
B13A B18A 1.755(9) . ?
B13A B14A 1.793(7) . ?
B13A H13X 1.12(3) . ?
B14A B19A 1.712(8) . ?
B14A B18A 1.763(8) . ?
B14A B20A 1.768(7) . ?
B14A H14X 1.09(4) . ?
B15A B20A 2.045(8) . ?
B15A Ru16 2.419(7) . ?
B15A H15X 1.10(3) . ?
B15A H56X 1.26(3) . ?
B17A B18A 2.022(8) . ?
B17A Ru16 2.365(7) . ?
B17A H17X 1.08(3) . ?
B17A H76X 1.37(3) . ?
B18A B19A 1.781(7) . ?
B18A H18X 1.14(4) . ?
B18A H89X 1.23(4) . ?
B19A B20A 1.786(7) . ?
B19A H19X 1.07(4) . ?
B19A H89X 1.28(5) . ?
B19A H90X 1.32(4) . ?
B20A H20X 1.11(4) . ?
B20A H90X 1.22(5) . ?
B11B B20B 1.734(9) . ?
B11B B15B 1.759(10) . ?
B11B B12B 1.778(9) . ?
B11B B14B 1.790(8) . ?
B11B B13B 1.793(8) . ?
B11B H11Y 1.10(4) . ?
B12B B13B 1.779(9) . ?
B12B B17B 1.808(13) . ?
B12B B15B 1.811(14) . ?
B12B Ru16 2.248(11) . ?
B12B H12Y 1.09(3) . ?
B13B B17B 1.728(10) . ?
B13B B18B 1.731(9) . ?
B13B B14B 1.789(7) . ?
B13B H13Y 1.12(3) . ?
B14B B19B 1.708(8) . ?
B14B B18B 1.769(8) . ?
B14B B20B 1.781(7) . ?
B14B H14Y 1.09(4) . ?
B15B B20B 2.044(8) . ?
B15B Ru16 2.203(8) . ?
B15B H15Y 1.10(3) . ?
B15B H56Y 1.26(3) . ?
B17B B18B 2.009(8) . ?
B17B Ru16 2.250(7) . ?
B17B H17Y 1.08(3) . ?
B17B H76Y 1.37(3) . ?
B18B B19B 1.792(7) . ?
B18B H18Y 1.13(4) . ?
B18B H89Y 1.23(4) . ?
B19B B20B 1.789(8) . ?
B19B H19Y 1.07(4) . ?
B19B H89Y 1.28(5) . ?
B19B H90Y 1.32(4) . ?
B20B H20Y 1.11(4) . ?
B20B H90Y 1.22(5) . ?
C38 O2 1.144(3) . ?
C38 Ru16 1.869(3) . ?
C57 C62 1.388(3) . ?
C57 C58 1.401(3) . ?
C57 P4 1.831(2) . ?
C58 C59 1.394(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.380(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.390(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.383(3) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.396(3) . ?
C63 C68 1.399(3) . ?
C63 P4 1.838(3) . ?
C64 C65 1.390(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.384(4) . ?
C65 H65 0.9500 . ?
C66 C67 1.390(4) . ?
C66 H66 0.9500 . ?
C67 C68 1.396(4) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
P4 Ru16 2.3871(8) . ?
Ru16 H56X 1.77(3) . ?
Ru16 H76X 1.67(3) . ?
Ru16 H56Y 1.77(3) . ?
Ru16 H76Y 1.68(3) . ?

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
C3 C2 C7 118.0(2) . . ?
C3 C2 P1 126.56(18) . . ?
C7 C2 P1 115.40(18) . . ?
C4 C3 C2 120.6(2) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 119.5(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 120.1(2) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 121.1(2) . . ?
C6 C7 H7 119.5 . . ?
C2 C7 H7 119.5 . . ?
C15 C14 C19 118.8(2) . . ?
C15 C14 P1 121.57(18) . . ?
C19 C14 P1 119.48(18) . . ?
C16 C15 C14 120.5(2) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.1(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 120.2(2) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C19 120.0(2) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 120.4(2) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C13 C8 C9 119.3(2) . . ?
C13 C8 P1 123.68(17) . . ?
C9 C8 P1 117.05(17) . . ?
C8 C13 C12 119.8(2) . . ?
C8 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C11 C12 C13 120.5(2) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C12 C11 C10 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C9 C10 C11 119.8(2) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C9 C8 120.6(2) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C21 C20 C25 118.9(2) . . ?
C21 C20 P2 123.06(17) . . ?
C25 C20 P2 117.97(16) . . ?
C20 C21 C22 120.4(2) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C21 120.6(2) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.5(2) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C20 120.3(2) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
C27 C26 C31 118.0(2) . . ?
C27 C26 P2 119.78(17) . . ?
C31 C26 P2 122.10(17) . . ?
C28 C27 C26 121.6(2) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C29 119.7(2) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 119.9(2) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C31 120.3(2) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C26 120.5(2) . . ?
C30 C31 H31 119.8 . . ?
C26 C31 H31 119.8 . . ?
C37 C32 C33 119.0(2) . . ?
C37 C32 P2 121.49(18) . . ?
C33 C32 P2 119.48(17) . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C35 C34 C33 120.4(2) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C36 C35 C34 119.6(2) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C35 C36 C37 120.7(2) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C32 120.0(2) . . ?
C36 C37 H37 120.0 . . ?
C32 C37 H37 120.0 . . ?
O1 C1 Ru6 175.3(2) . . ?
B5 B1 B10 70.16(16) . . ?
B5 B1 B2 62.22(15) . . ?
B10 B1 B2 119.52(19) . . ?
B5 B1 B3 109.32(19) . . ?
B10 B1 B3 108.23(19) . . ?
B2 B1 B3 59.99(15) . . ?
B5 B1 B4 119.3(2) . . ?
B10 B1 B4 60.72(16) . . ?
B2 B1 B4 114.82(19) . . ?
B3 B1 B4 60.23(15) . . ?
B5 B1 H1B 115.6(17) . . ?
B10 B1 H1B 113.9(17) . . ?
B2 B1 H1B 119.0(17) . . ?
B3 B1 H1B 126.0(17) . . ?
B4 B1 H1B 115.5(17) . . ?
B1 B2 B3 60.53(15) . . ?
B1 B2 B5 57.99(14) . . ?
B3 B2 B5 106.42(18) . . ?
B1 B2 B7 107.48(18) . . ?
B3 B2 B7 58.22(15) . . ?
B5 B2 B7 108.86(17) . . ?
B1 B2 Ru6 119.49(15) . . ?
B3 B2 Ru6 119.53(16) . . ?
B5 B2 Ru6 67.04(12) . . ?
B7 B2 Ru6 67.53(12) . . ?
B1 B2 H2B 111.5(16) . . ?
B3 B2 H2B 114.8(16) . . ?
B5 B2 H2B 122.2(15) . . ?
B7 B2 H2B 126.7(15) . . ?
Ru6 B2 H2B 118.1(16) . . ?
B8 B3 B7 70.97(16) . . ?
B8 B3 B2 118.5(2) . . ?
B7 B3 B2 62.27(15) . . ?
B8 B3 B1 107.12(19) . . ?
B7 B3 B1 109.87(19) . . ?
B2 B3 B1 59.48(15) . . ?
B8 B3 B4 60.45(16) . . ?
B7 B3 B4 120.7(2) . . ?
B2 B3 B4 114.11(19) . . ?
B1 B3 B4 59.95(15) . . ?
B8 B3 H3B 115.9(15) . . ?
B7 B3 H3B 115.4(15) . . ?
B2 B3 H3B 119.1(15) . . ?
B1 B3 H3B 124.9(15) . . ?
B4 B3 H3B 115.2(15) . . ?
B9 B4 B8 61.11(17) . . ?
B9 B4 B10 61.37(17) . . ?
B8 B4 B10 105.8(2) . . ?
B9 B4 B1 109.9(2) . . ?
B8 B4 B1 105.44(19) . . ?
B10 B4 B1 58.54(15) . . ?
B9 B4 B3 110.1(2) . . ?
B8 B4 B3 58.41(15) . . ?
B10 B4 B3 106.19(19) . . ?
B1 B4 B3 59.82(15) . . ?
B9 B4 H4B 124.0(16) . . ?
B8 B4 H4B 126.1(17) . . ?
B10 B4 H4B 123.5(16) . . ?
B1 B4 H4B 117.5(17) . . ?
B3 B4 H4B 118.4(16) . . ?
B1 B5 B2 59.79(15) . . ?
B1 B5 B10 55.26(14) . . ?
B2 B5 B10 105.59(18) . . ?
B1 B5 Ru6 120.73(16) . . ?
B2 B5 Ru6 66.64(11) . . ?
B10 B5 Ru6 124.61(15) . . ?
B1 B5 H5B 115.9(16) . . ?
B2 B5 H5B 127.3(15) . . ?
B10 B5 H5B 111.2(16) . . ?
Ru6 B5 H5B 115.7(16) . . ?
B1 B5 H65B 128.5(16) . . ?
B2 B5 H65B 100.5(15) . . ?
B10 B5 H65B 93.3(15) . . ?
Ru6 B5 H65B 41.8(15) . . ?
H5B B5 H65B 113(2) . . ?
B3 B7 B2 59.51(15) . . ?
B3 B7 B8 54.33(14) . . ?
B2 B7 B8 103.33(17) . . ?
B3 B7 Ru6 119.24(16) . . ?
B2 B7 Ru6 65.95(12) . . ?
B8 B7 Ru6 121.36(15) . . ?
B3 B7 H7B 113.8(15) . . ?
B2 B7 H7B 127.2(15) . . ?
B8 B7 H7B 112.0(15) . . ?
Ru6 B7 H7B 119.5(15) . . ?
B3 B7 H76B 133.3(12) . . ?
B2 B7 H76B 109.4(12) . . ?
B8 B7 H76B 91.3(12) . . ?
Ru6 B7 H76B 48.7(12) . . ?
H7B B7 H76B 107.8(19) . . ?
B3 B8 B9 109.6(2) . . ?
B3 B8 B4 61.14(16) . . ?
B9 B8 B4 57.76(16) . . ?
B3 B8 B7 54.70(14) . . ?
B9 B8 B7 118.9(2) . . ?
B4 B8 B7 107.72(18) . . ?
B3 B8 H8B 125.3(16) . . ?
B9 B8 H8B 118.0(16) . . ?
B4 B8 H8B 127.1(17) . . ?
B7 B8 H8B 115.5(16) . . ?
B3 B8 H89B 125.1(15) . . ?
B9 B8 H89B 45.5(14) . . ?
B4 B8 H89B 99.8(15) . . ?
B7 B8 H89B 91.9(15) . . ?
H8B B8 H89B 108(2) . . ?
B4 B9 B8 61.13(17) . . ?
B4 B9 B10 61.18(17) . . ?
B8 B9 B10 105.66(19) . . ?
B4 B9 H9B 132.0(17) . . ?
B8 B9 H9B 127.5(17) . . ?
B10 B9 H9B 125.2(17) . . ?
B4 B9 H89B 101.4(14) . . ?
B8 B9 H89B 43.7(14) . . ?
B10 B9 H89B 115.7(14) . . ?
H9B B9 H89B 112(2) . . ?
B4 B9 H90B 100.5(16) . . ?
B8 B9 H90B 118.1(15) . . ?
B10 B9 H90B 41.8(16) . . ?
H9B B9 H90B 109(2) . . ?
H89B B9 H90B 96(2) . . ?
B1 B10 B4 60.73(16) . . ?
B1 B10 B9 108.5(2) . . ?
B4 B10 B9 57.46(17) . . ?
B1 B10 B5 54.58(14) . . ?
B4 B10 B5 106.50(18) . . ?
B9 B10 B5 116.52(18) . . ?
B1 B10 H10B 122.9(16) . . ?
B4 B10 H10B 127.0(17) . . ?
B9 B10 H10B 121.3(16) . . ?
B5 B10 H10B 115.5(16) . . ?
B1 B10 H90B 126.8(16) . . ?
B4 B10 H90B 100.3(17) . . ?
B9 B10 H90B 45.4(17) . . ?
B5 B10 H90B 92.5(17) . . ?
H10B B10 H90B 108(2) . . ?
C14 P1 C2 106.45(11) . . ?
C14 P1 C8 100.02(10) . . ?
C2 P1 C8 98.23(10) . . ?
C14 P1 Ru6 123.63(7) . . ?
C2 P1 Ru6 111.43(8) . . ?
C8 P1 Ru6 113.69(8) . . ?
C32 P2 C26 102.47(11) . . ?
C32 P2 C20 103.65(10) . . ?
C26 P2 C20 100.98(10) . . ?
C32 P2 Ru6 117.33(7) . . ?
C26 P2 Ru6 115.49(7) . . ?
C20 P2 Ru6 114.76(8) . . ?
C1 Ru6 B2 96.58(10) . . ?
C1 Ru6 B5 81.11(10) . . ?
B2 Ru6 B5 46.32(9) . . ?
C1 Ru6 B7 140.89(10) . . ?
B2 Ru6 B7 46.51(9) . . ?
B5 Ru6 B7 79.40(9) . . ?
C1 Ru6 P1 93.37(7) . . ?
B2 Ru6 P1 157.33(6) . . ?
B5 Ru6 P1 115.99(7) . . ?
B7 Ru6 P1 125.66(7) . . ?
C1 Ru6 P2 89.65(7) . . ?
B2 Ru6 P2 99.61(7) . . ?
B5 Ru6 P2 142.43(6) . . ?
B7 Ru6 P2 85.62(7) . . ?
P1 Ru6 P2 100.77(3) . . ?
C1 Ru6 H65B 92.3(12) . . ?
B2 Ru6 H65B 71.9(12) . . ?
B5 Ru6 H65B 30.3(12) . . ?
B7 Ru6 H65B 87.6(12) . . ?
P1 Ru6 H65B 87.5(12) . . ?
P2 Ru6 H65B 171.4(12) . . ?
C1 Ru6 H76B 173.2(9) . . ?
B2 Ru6 H76B 76.7(9) . . ?
B5 Ru6 H76B 93.4(9) . . ?
B7 Ru6 H76B 33.0(9) . . ?
P1 Ru6 H76B 92.6(9) . . ?
P2 Ru6 H76B 92.3(9) . . ?
H65B Ru6 H76B 84.8(15) . . ?
C39A P3A C51A 100.8(4) . . ?
C39A P3A C45A 98.9(3) . . ?
C51A P3A C45A 105.4(4) . . ?
C39A P3A Ru16 113.4(4) . . ?
C51A P3A Ru16 119.6(3) . . ?
C45A P3A Ru16 115.8(3) . . ?
C40A C39A C44A 120.0 . . ?
C40A C39A P3A 116.1(3) . . ?
C44A C39A P3A 123.9(3) . . ?
C41A C40A C39A 120.0 . . ?
C41A C40A H40A 120.0 . . ?
C39A C40A H40A 120.0 . . ?
C40A C41A C42A 120.0 . . ?
C40A C41A H41A 120.0 . . ?
C42A C41A H41A 120.0 . . ?
C43A C42A C41A 120.0 . . ?
C43A C42A H42A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C44A C43A C42A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C43A C44A C39A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C39A C44A H44A 120.0 . . ?
C46A C45A C50A 120.0 . . ?
C46A C45A P3A 125.0(3) . . ?
C50A C45A P3A 115.0(3) . . ?
C47A C46A C45A 120.0 . . ?
C47A C46A H46A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
C48A C47A C46A 120.0 . . ?
C48A C47A H47A 120.0 . . ?
C46A C47A H47A 120.0 . . ?
C47A C48A C49A 120.0 . . ?
C47A C48A H48A 120.0 . . ?
C49A C48A H48A 120.0 . . ?
C50A C49A C48A 120.0 . . ?
C50A C49A H49A 120.0 . . ?
C48A C49A H49A 120.0 . . ?
C49A C50A C45A 120.0 . . ?
C49A C50A H50A 120.0 . . ?
C45A C50A H50A 120.0 . . ?
C52A C51A C56A 120.0 . . ?
C52A C51A P3A 119.4(3) . . ?
C56A C51A P3A 120.6(3) . . ?
C53A C52A C51A 120.0 . . ?
C53A C52A H52A 120.0 . . ?
C51A C52A H52A 120.0 . . ?
C52A C53A C54A 120.0 . . ?
C52A C53A H53A 120.0 . . ?
C54A C53A H53A 120.0 . . ?
C55A C54A C53A 120.0 . . ?
C55A C54A H54A 120.0 . . ?
C53A C54A H54A 120.0 . . ?
C56A C55A C54A 120.0 . . ?
C56A C55A H55A 120.0 . . ?
C54A C55A H55A 120.0 . . ?
C55A C56A C51A 120.0 . . ?
C55A C56A H56A 120.0 . . ?
C51A C56A H56A 120.0 . . ?
C51B P3B C45B 107.8(5) . . ?
C51B P3B C39B 96.1(4) . . ?
C45B P3B C39B 101.4(4) . . ?
C51B P3B Ru16 129.0(4) . . ?
C45B P3B Ru16 104.3(4) . . ?
C39B P3B Ru16 115.2(4) . . ?
C40B C39B C44B 120.0 . . ?
C40B C39B P3B 116.5(3) . . ?
C44B C39B P3B 123.5(3) . . ?
C39B C40B C41B 120.0 . . ?
C39B C40B H40B 120.0 . . ?
C41B C40B H40B 120.0 . . ?
C42B C41B C40B 120.0 . . ?
C42B C41B H41B 120.0 . . ?
C40B C41B H41B 120.0 . . ?
C41B C42B C43B 120.0 . . ?
C41B C42B H42B 120.0 . . ?
C43B C42B H42B 120.0 . . ?
C42B C43B C44B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C43B C44B C39B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C39B C44B H44B 120.0 . . ?
C46B C45B C50B 120.0 . . ?
C46B C45B P3B 118.6(3) . . ?
C50B C45B P3B 121.4(3) . . ?
C45B C46B C47B 120.0 . . ?
C45B C46B H46B 120.0 . . ?
C47B C46B H46B 120.0 . . ?
C48B C47B C46B 120.0 . . ?
C48B C47B H47B 120.0 . . ?
C46B C47B H47B 120.0 . . ?
C47B C48B C49B 120.0 . . ?
C47B C48B H48B 120.0 . . ?
C49B C48B H48B 120.0 . . ?
C50B C49B C48B 120.0 . . ?
C50B C49B H49B 120.0 . . ?
C48B C49B H49B 120.0 . . ?
C49B C50B C45B 120.0 . . ?
C49B C50B H50B 120.0 . . ?
C45B C50B H50B 120.0 . . ?
C52B C51B C56B 120.0 . . ?
C52B C51B P3B 115.1(3) . . ?
C56B C51B P3B 124.9(3) . . ?
C53B C52B C51B 120.0 . . ?
C53B C52B H52B 120.0 . . ?
C51B C52B H52B 120.0 . . ?
C52B C53B C54B 120.0 . . ?
C52B C53B H53B 120.0 . . ?
C54B C53B H53B 120.0 . . ?
C53B C54B C55B 120.0 . . ?
C53B C54B H54B 120.0 . . ?
C55B C54B H54B 120.0 . . ?
C54B C55B C56B 120.0 . . ?
C54B C55B H55B 120.0 . . ?
C56B C55B H55B 120.0 . . ?
C55B C56B C51B 120.0 . . ?
C55B C56B H56B 120.0 . . ?
C51B C56B H56B 120.0 . . ?
C70A C69A C74A 120.0 . . ?
C70A C69A P4 121.0(2) . . ?
C74A C69A P4 119.0(2) . . ?
C71A C70A C69A 120.0 . . ?
C71A C70A H70A 120.0 . . ?
C69A C70A H70A 120.0 . . ?
C70A C71A C72A 120.0 . . ?
C70A C71A H71A 120.0 . . ?
C72A C71A H71A 120.0 . . ?
C73A C72A C71A 120.0 . . ?
C73A C72A H72A 120.0 . . ?
C71A C72A H72A 120.0 . . ?
C74A C73A C72A 120.0 . . ?
C74A C73A H73A 120.0 . . ?
C72A C73A H73A 120.0 . . ?
C73A C74A C69A 120.0 . . ?
C73A C74A H74A 120.0 . . ?
C69A C74A H74A 120.0 . . ?
C70B C69B C74B 120.0 . . ?
C70B C69B P4 117.7(2) . . ?
C74B C69B P4 122.3(2) . . ?
C71B C70B C69B 120.0 . . ?
C71B C70B H70B 120.0 . . ?
C69B C70B H70B 120.0 . . ?
C72B C71B C70B 120.0 . . ?
C72B C71B H71B 120.0 . . ?
C70B C71B H71B 120.0 . . ?
C71B C72B C73B 120.0 . . ?
C71B C72B H72B 120.0 . . ?
C73B C72B H72B 120.0 . . ?
C74B C73B C72B 120.0 . . ?
C74B C73B H73B 120.0 . . ?
C72B C73B H73B 120.0 . . ?
C73B C74B C69B 120.0 . . ?
C73B C74B H74B 120.0 . . ?
C69B C74B H74B 120.0 . . ?
B20A B11A B15A 72.0(4) . . ?
B20A B11A B12A 119.6(6) . . ?
B15A B11A B12A 62.0(5) . . ?
B20A B11A B13A 107.5(5) . . ?
B15A B11A B13A 109.7(5) . . ?
B12A B11A B13A 59.7(3) . . ?
B20A B11A B14A 60.1(3) . . ?
B15A B11A B14A 120.8(5) . . ?
B12A B11A B14A 114.5(5) . . ?
B13A B11A B14A 60.1(3) . . ?
B20A B11A H11X 116(3) . . ?
B15A B11A H11X 116(3) . . ?
B12A B11A H11X 118(3) . . ?
B13A B11A H11X 124(3) . . ?
B14A B11A H11X 115(3) . . ?
B13A B12A B11A 60.2(4) . . ?
B13A B12A B17A 57.2(4) . . ?
B11A B12A B17A 105.4(5) . . ?
B13A B12A B15A 107.1(5) . . ?
B11A B12A B15A 58.1(4) . . ?
B17A B12A B15A 108.6(6) . . ?
B13A B12A Ru16 121.0(5) . . ?
B11A B12A Ru16 122.3(6) . . ?
B17A B12A Ru16 68.1(4) . . ?
B15A B12A Ru16 69.8(4) . . ?
B13A B12A H12X 105(4) . . ?
B11A B12A H12X 113(5) . . ?
B17A B12A H12X 119(4) . . ?
B15A B12A H12X 132(4) . . ?
Ru16 B12A H12X 120(5) . . ?
B17A B13A B18A 71.3(4) . . ?
B17A B13A B12A 62.4(4) . . ?
B18A B13A B12A 120.6(6) . . ?
B17A B13A B11A 109.5(4) . . ?
B18A B13A B11A 107.8(4) . . ?
B12A B13A B11A 60.1(3) . . ?
B17A B13A B14A 119.2(5) . . ?
B18A B13A B14A 59.6(3) . . ?
B12A B13A B14A 115.1(5) . . ?
B11A B13A B14A 60.3(3) . . ?
B17A B13A H13X 113(4) . . ?
B18A B13A H13X 113(3) . . ?
B12A B13A H13X 117(4) . . ?
B11A B13A H13X 128(3) . . ?
B14A B13A H13X 118(4) . . ?
B19A B14A B18A 61.6(3) . . ?
B19A B14A B20A 61.7(3) . . ?
B18A B14A B20A 107.2(4) . . ?
B19A B14A B13A 110.2(4) . . ?
B18A B14A B13A 59.1(3) . . ?
B20A B14A B13A 105.5(4) . . ?
B19A B14A B11A 110.1(4) . . ?
B18A B14A B11A 106.9(4) . . ?
B20A B14A B11A 58.1(3) . . ?
B13A B14A B11A 59.6(3) . . ?
B19A B14A H14X 118(3) . . ?
B18A B14A H14X 125(3) . . ?
B20A B14A H14X 120(3) . . ?
B13A B14A H14X 125(3) . . ?
B11A B14A H14X 121(3) . . ?
B11A B15A B12A 59.9(4) . . ?
B11A B15A B20A 53.6(3) . . ?
B12A B15A B20A 103.5(4) . . ?
B11A B15A Ru16 119.8(4) . . ?
B12A B15A Ru16 65.3(4) . . ?
B20A B15A Ru16 124.1(3) . . ?
B11A B15A H15X 118(4) . . ?
B12A B15A H15X 140(3) . . ?
B20A B15A H15X 103(4) . . ?
Ru16 B15A H15X 120(4) . . ?
B11A B15A H56X 142(3) . . ?
B12A B15A H56X 108.2(18) . . ?
B20A B15A H56X 102(2) . . ?
Ru16 B15A H56X 45.0(16) . . ?
H15X B15A H56X 95(5) . . ?
B13A B17A B12A 60.4(4) . . ?
B13A B17A B18A 55.3(3) . . ?
B12A B17A B18A 106.2(4) . . ?
B13A B17A Ru16 122.6(4) . . ?
B12A B17A Ru16 66.7(4) . . ?
B18A B17A Ru16 127.8(4) . . ?
B13A B17A H17X 117(5) . . ?
B12A B17A H17X 124(6) . . ?
B18A B17A H17X 115(5) . . ?
Ru16 B17A H17X 110(5) . . ?
B13A B17A H76X 132(3) . . ?
B12A B17A H76X 102.9(19) . . ?
B18A B17A H76X 95(2) . . ?
Ru16 B17A H76X 43.9(13) . . ?
H17X B17A H76X 110(6) . . ?
B13A B18A B14A 61.3(3) . . ?
B13A B18A B19A 108.8(4) . . ?
B14A B18A B19A 57.8(3) . . ?
B13A B18A B17A 53.4(3) . . ?
B14A B18A B17A 105.9(4) . . ?
B19A B18A B17A 115.9(4) . . ?
B13A B18A H18X 124(3) . . ?
B14A B18A H18X 127(3) . . ?
B19A B18A H18X 121(3) . . ?
B17A B18A H18X 116(3) . . ?
B13A B18A H89X 124(3) . . ?
B14A B18A H89X 100(2) . . ?
B19A B18A H89X 46(2) . . ?
B17A B18A H89X 90(3) . . ?
H18X B18A H89X 110(4) . . ?
B14A B19A B18A 60.6(3) . . ?
B14A B19A B20A 60.7(3) . . ?
B18A B19A B20A 105.6(4) . . ?
B14A B19A H19X 132(3) . . ?
B18A B19A H19X 123(3) . . ?
B20A B19A H19X 129(3) . . ?
B14A B19A H89X 101(2) . . ?
B18A B19A H89X 43.6(18) . . ?
B20A B19A H89X 117(3) . . ?
H19X B19A H89X 109(4) . . ?
B14A B19A H90X 101(2) . . ?
B18A B19A H90X 119(3) . . ?
B20A B19A H90X 43(2) . . ?
H19X B19A H90X 112(4) . . ?
H89X B19A H90X 97(4) . . ?
B11A B20A B14A 61.8(3) . . ?
B11A B20A B19A 109.7(4) . . ?
B14A B20A B19A 57.6(3) . . ?
B11A B20A B15A 54.4(3) . . ?
B14A B20A B15A 107.7(4) . . ?
B19A B20A B15A 118.0(4) . . ?
B11A B20A H20X 127(3) . . ?
B14A B20A H20X 130(3) . . ?
B19A B20A H20X 119(3) . . ?
B15A B20A H20X 114(3) . . ?
B11A B20A H90X 127(3) . . ?
B14A B20A H90X 102.4(19) . . ?
B19A B20A H90X 47.4(17) . . ?
B15A B20A H90X 92(2) . . ?
H20X B20A H90X 103(4) . . ?
B20B B11B B15B 71.6(4) . . ?
B20B B11B B12B 118.9(6) . . ?
B15B B11B B12B 61.6(5) . . ?
B20B B11B B14B 60.7(3) . . ?
B15B B11B B14B 121.0(5) . . ?
B12B B11B B14B 114.2(5) . . ?
B20B B11B B13B 107.7(5) . . ?
B15B B11B B13B 109.7(5) . . ?
B12B B11B B13B 59.8(4) . . ?
B14B B11B B13B 59.9(3) . . ?
B20B B11B H11Y 114(4) . . ?
B15B B11B H11Y 111(4) . . ?
B12B B11B H11Y 118(4) . . ?
B14B B11B H11Y 119(4) . . ?
B13B B11B H11Y 129(4) . . ?
B11B B12B B13B 60.5(4) . . ?
B11B B12B B17B 106.3(6) . . ?
B13B B12B B17B 57.6(5) . . ?
B11B B12B B15B 58.7(5) . . ?
B13B B12B B15B 108.0(6) . . ?
B17B B12B B15B 109.5(7) . . ?
B11B B12B Ru16 115.7(6) . . ?
B13B B12B Ru16 116.6(6) . . ?
B17B B12B Ru16 66.3(4) . . ?
B15B B12B Ru16 64.7(4) . . ?
B11B B12B H12Y 116(6) . . ?
B13B B12B H12Y 123(5) . . ?
B17B B12B H12Y 130(5) . . ?
B15B B12B H12Y 115(4) . . ?
Ru16 B12B H12Y 114(5) . . ?
B17B B13B B18B 71.0(4) . . ?
B17B B13B B12B 62.0(5) . . ?
B18B B13B B12B 119.6(6) . . ?
B17B B13B B14B 119.5(5) . . ?
B18B B13B B14B 60.3(3) . . ?
B12B B13B B14B 114.2(5) . . ?
B17B B13B B11B 109.2(5) . . ?
B18B B13B B11B 107.8(4) . . ?
B12B B13B B11B 59.7(4) . . ?
B14B B13B B11B 59.9(3) . . ?
B17B B13B H13Y 112(5) . . ?
B18B B13B H13Y 113(4) . . ?
B12B B13B H13Y 118(4) . . ?
B14B B13B H13Y 119(5) . . ?
B11B B13B H13Y 129(4) . . ?
B19B B14B B18B 62.0(3) . . ?
B19B B14B B20B 61.7(3) . . ?
B18B B14B B20B 106.8(4) . . ?
B19B B14B B13B 110.4(5) . . ?
B18B B14B B13B 58.2(3) . . ?
B20B B14B B13B 105.8(4) . . ?
B19B B14B B11B 110.3(4) . . ?
B18B B14B B11B 106.3(4) . . ?
B20B B14B B11B 58.1(3) . . ?
B13B B14B B11B 60.1(3) . . ?
B19B B14B H14Y 121(3) . . ?
B18B B14B H14Y 128(3) . . ?
B20B B14B H14Y 119(3) . . ?
B13B B14B H14Y 123(4) . . ?
B11B B14B H14Y 117(3) . . ?
B11B B15B B12B 59.7(4) . . ?
B11B B15B B20B 53.6(4) . . ?
B12B B15B B20B 103.2(5) . . ?
B11B B15B Ru16 118.8(5) . . ?
B12B B15B Ru16 67.3(4) . . ?
B20B B15B Ru16 118.3(4) . . ?
B11B B15B H15Y 108(5) . . ?
B12B B15B H15Y 115(4) . . ?
B20B B15B H15Y 118(4) . . ?
Ru16 B15B H15Y 121(5) . . ?
B11B B15B H56Y 125(3) . . ?
B12B B15B H56Y 112(2) . . ?
B20B B15B H56Y 81(3) . . ?
Ru16 B15B H56Y 53.5(15) . . ?
H15Y B15B H56Y 121(5) . . ?
B13B B17B B12B 60.4(4) . . ?
B13B B17B B18B 54.6(3) . . ?
B12B B17B B18B 105.2(5) . . ?
B13B B17B Ru16 118.8(4) . . ?
B12B B17B Ru16 66.3(4) . . ?
B18B B17B Ru16 120.0(4) . . ?
B13B B17B H17Y 115(5) . . ?
B12B B17B H17Y 129(6) . . ?
B18B B17B H17Y 110(6) . . ?
Ru16 B17B H17Y 120(5) . . ?
B13B B17B H76Y 124(3) . . ?
B12B B17B H76Y 106(2) . . ?
B18B B17B H76Y 85(2) . . ?
Ru16 B17B H76Y 48.2(13) . . ?
H17Y B17B H76Y 113(7) . . ?
B13B B18B B14B 61.5(3) . . ?
B13B B18B B19B 109.2(4) . . ?
B14B B18B B19B 57.3(3) . . ?
B13B B18B B17B 54.4(3) . . ?
B14B B18B B17B 106.9(4) . . ?
B19B B18B B17B 116.8(4) . . ?
B13B B18B H18Y 128(3) . . ?
B14B B18B H18Y 124(3) . . ?
B19B B18B H18Y 114(3) . . ?
B17B B18B H18Y 122(3) . . ?
B13B B18B H89Y 126(3) . . ?
B14B B18B H89Y 100(2) . . ?
B19B B18B H89Y 46(2) . . ?
B17B B18B H89Y 92(3) . . ?
H18Y B18B H89Y 104(4) . . ?
B14B B19B B20B 61.2(3) . . ?
B14B B19B B18B 60.6(3) . . ?
B20B B19B B18B 105.4(4) . . ?
B14B B19B H19Y 134(4) . . ?
B20B B19B H19Y 128(3) . . ?
B18B B19B H19Y 126(3) . . ?
B14B B19B H89Y 101(2) . . ?
B20B B19B H89Y 118(3) . . ?
B18B B19B H89Y 43.2(18) . . ?
H19Y B19B H89Y 108(4) . . ?
B14B B19B H90Y 100(2) . . ?
B20B B19B H90Y 43(2) . . ?
B18B B19B H90Y 115(3) . . ?
H19Y B19B H90Y 112(4) . . ?
H89Y B19B H90Y 95(4) . . ?
B11B B20B B14B 61.2(3) . . ?
B11B B20B B19B 109.1(4) . . ?
B14B B20B B19B 57.2(3) . . ?
B11B B20B B15B 54.8(3) . . ?
B14B B20B B15B 107.5(4) . . ?
B19B B20B B15B 118.4(4) . . ?
B11B B20B H20Y 124(3) . . ?
B14B B20B H20Y 120(4) . . ?
B19B B20B H20Y 115(3) . . ?
B15B B20B H20Y 122(3) . . ?
B11B B20B H90Y 124(3) . . ?
B14B B20B H90Y 101(2) . . ?
B19B B20B H90Y 47.5(17) . . ?
B15B B20B H90Y 89(3) . . ?
H20Y B20B H90Y 111(5) . . ?
O2 C38 Ru16 175.5(2) . . ?
C62 C57 C58 119.3(2) . . ?
C62 C57 P4 117.53(17) . . ?
C58 C57 P4 123.06(19) . . ?
C59 C58 C57 119.3(3) . . ?
C59 C58 H58 120.3 . . ?
C57 C58 H58 120.3 . . ?
C60 C59 C58 120.8(2) . . ?
C60 C59 H59 119.6 . . ?
C58 C59 H59 119.6 . . ?
C59 C60 C61 119.9(2) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 H60 120.1 . . ?
C62 C61 C60 119.7(3) . . ?
C62 C61 H61 120.2 . . ?
C60 C61 H61 120.2 . . ?
C61 C62 C57 121.0(2) . . ?
C61 C62 H62 119.5 . . ?
C57 C62 H62 119.5 . . ?
C64 C63 C68 118.2(2) . . ?
C64 C63 P4 119.3(2) . . ?
C68 C63 P4 122.50(18) . . ?
C65 C64 C63 120.9(3) . . ?
C65 C64 H64 119.5 . . ?
C63 C64 H64 119.5 . . ?
C66 C65 C64 120.6(2) . . ?
C66 C65 H65 119.7 . . ?
C64 C65 H65 119.7 . . ?
C65 C66 C67 119.3(3) . . ?
C65 C66 H66 120.3 . . ?
C67 C66 H66 120.3 . . ?
C66 C67 C68 120.2(3) . . ?
C66 C67 H67 119.9 . . ?
C68 C67 H67 119.9 . . ?
C67 C68 C63 120.8(2) . . ?
C67 C68 H68 119.6 . . ?
C63 C68 H68 119.6 . . ?
C69B P4 C57 102.63(16) . . ?
C69B P4 C63 101.56(14) . . ?
C57 P4 C63 100.27(11) . . ?
C57 P4 C69A 106.18(17) . . ?
C63 P4 C69A 104.41(15) . . ?
C69B P4 Ru16 119.33(14) . . ?
C57 P4 Ru16 114.20(8) . . ?
C63 P4 Ru16 116.18(8) . . ?
C69A P4 Ru16 114.10(15) . . ?
C38 Ru16 B15B 142.8(2) . . ?
C38 Ru16 B12B 96.9(3) . . ?
B15B Ru16 B12B 48.0(3) . . ?
C38 Ru16 B17B 77.8(2) . . ?
B15B Ru16 B17B 83.2(3) . . ?
B12B Ru16 B17B 47.4(3) . . ?
C38 Ru16 B12A 97.3(2) . . ?
C38 Ru16 P3B 90.48(17) . . ?
B15B Ru16 P3B 126.6(3) . . ?
B12B Ru16 P3B 157.4(3) . . ?
B17B Ru16 P3B 114.5(3) . . ?
C38 Ru16 B17A 84.49(18) . . ?
B12A Ru16 B17A 45.2(3) . . ?
C38 Ru16 P3A 96.54(16) . . ?
B12A Ru16 P3A 153.6(3) . . ?
B17A Ru16 P3A 114.5(2) . . ?
C38 Ru16 P4 90.19(8) . . ?
B15B Ru16 P4 86.80(19) . . ?
B12B Ru16 P4 102.2(3) . . ?
B17B Ru16 P4 144.10(18) . . ?
B12A Ru16 P4 99.7(2) . . ?
P3B Ru16 P4 99.16(18) . . ?
B17A Ru16 P4 142.95(15) . . ?
P3A Ru16 P4 102.55(16) . . ?
C38 Ru16 B15A 139.82(19) . . ?
B12A Ru16 B15A 44.9(3) . . ?
B17A Ru16 B15A 76.0(2) . . ?
P3A Ru16 B15A 123.4(2) . . ?
P4 Ru16 B15A 85.15(16) . . ?
C38 Ru16 H56X 169.5(13) . . ?
B12A Ru16 H56X 73.9(13) . . ?
B17A Ru16 H56X 93.0(18) . . ?
P3A Ru16 H56X 93.8(12) . . ?
P4 Ru16 H56X 85.7(19) . . ?
B15A Ru16 H56X 30.2(11) . . ?
C38 Ru16 H76X 97(2) . . ?
B12A Ru16 H76X 75.0(14) . . ?
B17A Ru16 H76X 34.7(11) . . ?
P3A Ru16 H76X 81.0(12) . . ?
P4 Ru16 H76X 171(2) . . ?
B15A Ru16 H76X 86(2) . . ?
H56X Ru16 H76X 86(3) . . ?
C38 Ru16 H56Y 173(2) . . ?
B15B Ru16 H56Y 34.8(11) . . ?
B12B Ru16 H56Y 78.5(14) . . ?
B17B Ru16 H56Y 95(2) . . ?
P3B Ru16 H56Y 92.0(12) . . ?
P4 Ru16 H56Y 96(2) . . ?
C38 Ru16 H76Y 90(3) . . ?
B15B Ru16 H76Y 94(3) . . ?
B12B Ru16 H76Y 79.6(16) . . ?
B17B Ru16 H76Y 37.5(11) . . ?
P3B Ru16 H76Y 79.1(14) . . ?
P4 Ru16 H76Y 178.2(15) . . ?
H56Y Ru16 H76Y 84(3) . . ?

_refine_diff_density_max         0.880
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.090



# start Validation Reply Form
_vrf_PLAT201_compound_3_VPX162D_JB145 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 33 Report
RESPONSE: Molecule 2 presented static disorder. The disordered P(3) atom,
 the phenyl groups (C(39)>C(44), C(45)>C(50), C(51)>C(56), C(69)>C(74))
 and the B9-cluster were included in the model using two sets of atomic
 coordinates with complementary occupancy factors (aprox. 0.50/0.50).
 Anisotropic refinement was applied to P(3), while disordered carbon
 and boron atoms were refined isotropically. When an anisotropic refinement
 was performed, unstable refinement cycles and/or unrealistic displacement
 parameters were observed.
;
# end Validation Reply Form
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ewc190014
_database_code_depnum_ccdc_archive 'CCDC 2103311'
loop_
_audit_author_name
_audit_author_address
'Bill Clegg'
;Newcastle University
United Kingdom
;
_audit_update_record             
;
2021-10-22 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H63 B9 O Os P4 Pt,0.85 C2 H4 Cl2'
_chemical_formula_sum            'C54.71 H66.43 B9 Cl1.71 O Os P4 Pt'
_chemical_formula_weight         1407.10

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'
B B 0.0090 0.0039 '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'
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'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7993(2)
_cell_length_b                   13.3272(2)
_cell_length_c                   22.1505(4)
_cell_angle_alpha                82.1298(14)
_cell_angle_beta                 81.7826(15)
_cell_angle_gamma                87.9309(15)
_cell_volume                     2835.72(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    38504
_cell_measurement_theta_min      4.01
_cell_measurement_theta_max      66.82

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_F_000             1382
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.237
_exptl_crystal_size_mid          0.161
_exptl_crystal_size_min          0.061
_exptl_absorpt_coefficient_mu    10.807
_shelx_estimated_absorpt_T_min   0.184
_shelx_estimated_absorpt_T_max   0.559
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.183
_exptl_absorpt_correction_T_max  0.594
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.42b (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
   model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'Oxford Diffraction Gemini A Ultra diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3968
_diffrn_reflns_number            78764
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.679
_diffrn_reflns_theta_max         66.896
_diffrn_reflns_theta_full        66.896
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             10033
_reflns_number_gt                9369
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_structure_solution    SHELXT-2018/2
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL and local programs'
_refine_special_details          
;This structure is a dichloroethane solvate with one
molecule of solvent in the asymmetric unit. The
solvent molecule and one phenyl group on the main
residue have been modelled as disordered over two
positions. The occupancies of the disordered sites
were refined independently of the atomic
displacement parameters. The geometry of the
disordered moieties were restrained using the SADI
card and the displacement parameters of all
partially-occupied non-hydrogen atoms were
restrained using the SIMU card.,Solvent disordered over two positions with total occupancy approximately 0.85
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0191P)²+3.0175P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.000100(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10033
_refine_ls_number_parameters     800
_refine_ls_number_restraints     410
_refine_ls_R_factor_all          0.0206
_refine_ls_R_factor_gt           0.0182
_refine_ls_wR_factor_ref         0.0430
_refine_ls_wR_factor_gt          0.0420
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
B1 B 0.2175(3) 0.8958(2) 0.18982(15) 0.0224(6) Uani 1 1 d . . . . .
H1 H 0.141(3) 0.937(2) 0.1655(13) 0.021(7) Uiso 1 1 d . . . . .
B2 B 0.3618(3) 0.9583(2) 0.20266(14) 0.0186(6) Uani 1 1 d . . . . .
H2 H 0.379(3) 1.039(2) 0.1830(13) 0.022(7) Uiso 1 1 d . . . . .
B3 B 0.2316(3) 0.9220(2) 0.26457(15) 0.0208(6) Uani 1 1 d . . . . .
H3 H 0.167(3) 0.976(2) 0.2882(14) 0.028(8) Uiso 1 1 d . . . . .
B4 B 0.1676(3) 0.8025(2) 0.25375(15) 0.0207(6) Uani 1 1 d . . . . .
H4 H 0.057(3) 0.794(2) 0.2708(14) 0.027(8) Uiso 1 1 d . . . . .
B5 B 0.4061(3) 0.9096(2) 0.27675(13) 0.0183(6) Uani 1 1 d . . . . .
H5 H 0.445(3) 0.950(2) 0.3093(14) 0.027(8) Uiso 1 1 d . . . . .
B6 B 0.3783(3) 0.8577(2) 0.15154(13) 0.0179(6) Uani 1 1 d . . . . .
H6 H 0.408(3) 0.877(2) 0.1014(13) 0.021(7) Uiso 1 1 d . . . . .
Pt7 Pt 0.56514(2) 0.88033(2) 0.19464(2) 0.01426(4) Uani 1 1 d . . . . .
B8 B 0.4342(3) 0.7378(2) 0.18304(13) 0.0151(6) Uani 1 1 d . . . . .
H8 H 0.495(3) 0.695(2) 0.1523(14) 0.024(8) Uiso 1 1 d . . . . .
Os9 Os 0.28678(2) 0.65438(2) 0.26846(2) 0.01381(4) Uani 1 1 d . . . . .
B10 B 0.2828(3) 0.8084(2) 0.30973(14) 0.0198(6) Uani 1 1 d . . . . .
H10 H 0.260(3) 0.809(2) 0.3589(14) 0.025(8) Uiso 1 1 d . . . . .
B11 B 0.2516(3) 0.7645(2) 0.18163(14) 0.0187(6) Uani 1 1 d . . . . .
H11 H 0.196(3) 0.733(2) 0.1477(14) 0.025(8) Uiso 1 1 d . . . . .
H510 H 0.414(3) 0.814(2) 0.2956(12) 0.017(7) Uiso 1 1 d . . . . .
H89 H 0.458(4) 0.699(3) 0.2377(15) 0.036(9) Uiso 1 1 d . . . . .
C9 C 0.1068(3) 0.6175(2) 0.30032(12) 0.0217(6) Uani 1 1 d . . . . .
O9 O -0.0071(2) 0.59878(15) 0.31894(10) 0.0310(5) Uani 1 1 d . . . . .
P1 P 0.74395(7) 0.80445(5) 0.13416(3) 0.01862(14) Uani 1 1 d . . . . .
C11 C 0.7047(3) 0.7879(2) 0.05822(12) 0.0216(6) Uani 1 1 d . . . . .
C12 C 0.6765(3) 0.8750(2) 0.01901(13) 0.0320(7) Uani 1 1 d . . . . .
H12 H 0.673976 0.939071 0.033422 0.038 Uiso 1 1 calc R U . . .
C13 C 0.6522(4) 0.8698(3) -0.04038(15) 0.0411(8) Uani 1 1 d . . . . .
H13 H 0.633747 0.929928 -0.066529 0.049 Uiso 1 1 calc R U . . .
C14 C 0.6546(4) 0.7771(3) -0.06159(15) 0.0422(8) Uani 1 1 d . . . . .
H14 H 0.638413 0.773175 -0.102467 0.051 Uiso 1 1 calc R U . . .
C15 C 0.6808(4) 0.6901(3) -0.02326(15) 0.0365(8) Uani 1 1 d . . . . .
H15 H 0.681516 0.626280 -0.037811 0.044 Uiso 1 1 calc R U . . .
C16 C 0.7061(3) 0.6949(2) 0.03642(13) 0.0272(6) Uani 1 1 d . . . . .
H16 H 0.724400 0.634486 0.062349 0.033 Uiso 1 1 calc R U . . .
C17 C 0.9101(3) 0.8650(2) 0.11404(14) 0.0305(7) Uani 1 1 d . . . . .
H17A H 0.900335 0.928845 0.087142 0.046 Uiso 1 1 calc R U . . .
H17B H 0.975746 0.820105 0.092539 0.046 Uiso 1 1 calc R U . . .
H17C H 0.944130 0.878666 0.151571 0.046 Uiso 1 1 calc R U . . .
C18 C 0.7952(3) 0.6808(2) 0.16953(13) 0.0294(7) Uani 1 1 d . . . . .
H18A H 0.829523 0.687386 0.208222 0.044 Uiso 1 1 calc R U . . .
H18B H 0.868291 0.652006 0.141610 0.044 Uiso 1 1 calc R U . . .
H18C H 0.715642 0.636023 0.177882 0.044 Uiso 1 1 calc R U . . .
P2 P 0.69428(7) 1.00963(5) 0.21835(3) 0.01957(14) Uani 1 1 d D . . . .
C21 C 0.788(2) 1.081(3) 0.1517(8) 0.033(2) Uani 0.379(9) 1 d D U P A 1
C22 C 0.9208(14) 1.1101(11) 0.1567(6) 0.040(2) Uani 0.379(9) 1 d D U P A 1
H22 H 0.958800 1.093486 0.194027 0.048 Uiso 0.379(9) 1 calc R U P A 1
C23 C 0.9960(13) 1.1641(9) 0.1050(6) 0.051(2) Uani 0.379(9) 1 d D U P A 1
H23 H 1.085182 1.187818 0.107200 0.061 Uiso 0.379(9) 1 calc R U P A 1
C24 C 0.9395(16) 1.1833(11) 0.0499(6) 0.051(2) Uani 0.379(9) 1 d D U P A 1
H24 H 0.993879 1.216512 0.014367 0.061 Uiso 0.379(9) 1 calc R U P A 1
C25 C 0.8084(16) 1.1556(9) 0.0456(5) 0.046(2) Uani 0.379(9) 1 d D U P A 1
H25 H 0.769822 1.173308 0.008549 0.055 Uiso 0.379(9) 1 calc R U P A 1
C26 C 0.7332(13) 1.1010(12) 0.0968(6) 0.036(2) Uani 0.379(9) 1 d D U P A 1
H26 H 0.644330 1.077208 0.094153 0.043 Uiso 0.379(9) 1 calc R U P A 1
C21' C 0.7731(14) 1.0795(18) 0.1455(5) 0.0322(16) Uani 0.621(9) 1 d D U P A 2
C22' C 0.9051(9) 1.1185(6) 0.1322(4) 0.0430(16) Uani 0.621(9) 1 d D U P A 2
H22' H 0.963679 1.108487 0.163292 0.052 Uiso 0.621(9) 1 calc R U P A 2
C23' C 0.9549(9) 1.1716(6) 0.0755(4) 0.0513(19) Uani 0.621(9) 1 d D U P A 2
H23' H 1.045837 1.197243 0.067416 0.062 Uiso 0.621(9) 1 calc R U P A 2
C24' C 0.8676(9) 1.1860(5) 0.0308(3) 0.0513(19) Uani 0.621(9) 1 d D U P A 2
H24' H 0.900235 1.221609 -0.008485 0.062 Uiso 0.621(9) 1 calc R U P A 2
C25' C 0.7330(9) 1.1496(5) 0.0417(3) 0.0421(16) Uani 0.621(9) 1 d D U P A 2
H25' H 0.675300 1.159925 0.010368 0.051 Uiso 0.621(9) 1 calc R U P A 2
C26' C 0.6848(8) 1.0978(7) 0.0998(4) 0.0334(15) Uani 0.621(9) 1 d D U P A 2
H26' H 0.592544 1.074799 0.108474 0.040 Uiso 0.621(9) 1 calc R U P A 2
C27 C 0.6012(3) 1.1125(2) 0.25294(15) 0.0353(8) Uani 1 1 d . . . . .
H27A H 0.529328 1.139156 0.228229 0.053 Uiso 1 1 calc R U . . .
H27B H 0.665314 1.166480 0.254482 0.053 Uiso 1 1 calc R U . . .
H27C H 0.558567 1.087235 0.294780 0.053 Uiso 1 1 calc R U . . .
C28 C 0.8260(4) 0.9793(3) 0.2679(2) 0.0507(10) Uani 1 1 d . . . . .
H28A H 0.872652 1.041352 0.271923 0.076 Uiso 1 1 calc R U . . .
H28B H 0.893385 0.931589 0.250027 0.076 Uiso 1 1 calc R U . . .
H28C H 0.783289 0.948413 0.308628 0.076 Uiso 1 1 calc R U . . .
P3 P 0.36104(7) 0.58950(5) 0.36345(3) 0.01843(14) Uani 1 1 d . . . . .
C311 C 0.2335(3) 0.5871(2) 0.43359(12) 0.0243(6) Uani 1 1 d . . . . .
C312 C 0.2519(3) 0.5195(2) 0.48601(13) 0.0301(7) Uani 1 1 d . . . . .
H312 H 0.327487 0.472808 0.484643 0.036 Uiso 1 1 calc R U . . .
C313 C 0.1604(3) 0.5200(3) 0.54022(13) 0.0364(8) Uani 1 1 d . . . . .
H313 H 0.172344 0.472466 0.575224 0.044 Uiso 1 1 calc R U . . .
C314 C 0.0528(4) 0.5892(3) 0.54322(14) 0.0398(8) Uani 1 1 d . . . . .
H314 H -0.008015 0.590642 0.580579 0.048 Uiso 1 1 calc R U . . .
C315 C 0.0333(3) 0.6565(3) 0.49186(14) 0.0347(7) Uani 1 1 d . . . . .
H315 H -0.041080 0.704252 0.494044 0.042 Uiso 1 1 calc R U . . .
C316 C 0.1217(3) 0.6550(2) 0.43692(13) 0.0281(6) Uani 1 1 d . . . . .
H316 H 0.105942 0.700424 0.401522 0.034 Uiso 1 1 calc R U . . .
C321 C 0.4314(3) 0.4594(2) 0.37612(12) 0.0239(6) Uani 1 1 d . . . . .
C322 C 0.5659(3) 0.4371(2) 0.38711(13) 0.0304(7) Uani 1 1 d . . . . .
H322 H 0.624596 0.490794 0.390334 0.037 Uiso 1 1 calc R U . . .
C323 C 0.6165(4) 0.3379(2) 0.39350(14) 0.0369(8) Uani 1 1 d . . . . .
H323 H 0.709175 0.324178 0.400544 0.044 Uiso 1 1 calc R U . . .
C324 C 0.5321(4) 0.2600(3) 0.38957(14) 0.0434(9) Uani 1 1 d . . . . .
H324 H 0.566540 0.192238 0.393233 0.052 Uiso 1 1 calc R U . . .
C325 C 0.3966(4) 0.2800(2) 0.38029(15) 0.0436(9) Uani 1 1 d . . . . .
H325 H 0.337821 0.225705 0.378465 0.052 Uiso 1 1 calc R U . . .
C326 C 0.3460(4) 0.3792(2) 0.37360(13) 0.0326(7) Uani 1 1 d . . . . .
H326 H 0.252800 0.392287 0.367298 0.039 Uiso 1 1 calc R U . . .
C331 C 0.5021(3) 0.6629(2) 0.38143(12) 0.0210(6) Uani 1 1 d . . . . .
C332 C 0.6176(3) 0.6849(2) 0.33711(13) 0.0236(6) Uani 1 1 d . . . . .
H332 H 0.621275 0.662548 0.297973 0.028 Uiso 1 1 calc R U . . .
C333 C 0.7261(3) 0.7383(2) 0.34915(14) 0.0278(6) Uani 1 1 d . . . . .
H333 H 0.804565 0.751313 0.318818 0.033 Uiso 1 1 calc R U . . .
C334 C 0.7205(4) 0.7732(3) 0.40566(15) 0.0367(8) Uani 1 1 d . . . . .
H334 H 0.794460 0.811137 0.413874 0.044 Uiso 1 1 calc R U . . .
C335 C 0.6077(4) 0.7527(3) 0.44981(15) 0.0425(8) Uani 1 1 d . . . . .
H335 H 0.603722 0.776694 0.488492 0.051 Uiso 1 1 calc R U . . .
C336 C 0.4996(3) 0.6971(2) 0.43807(13) 0.0311(7) Uani 1 1 d . . . . .
H336 H 0.423002 0.682263 0.469150 0.037 Uiso 1 1 calc R U . . .
P4 P 0.32287(7) 0.51068(5) 0.21233(3) 0.01450(13) Uani 1 1 d . . . . .
C411 C 0.2316(3) 0.39094(19) 0.24350(11) 0.0178(5) Uani 1 1 d . . . . .
C412 C 0.0939(3) 0.3927(2) 0.26962(13) 0.0247(6) Uani 1 1 d . . . . .
H412 H 0.046740 0.455934 0.271513 0.030 Uiso 1 1 calc R U . . .
C413 C 0.0241(3) 0.3040(2) 0.29295(14) 0.0275(6) Uani 1 1 d . . . . .
H413 H -0.069663 0.307341 0.310997 0.033 Uiso 1 1 calc R U . . .
C414 C 0.0895(3) 0.2112(2) 0.29018(14) 0.0289(6) Uani 1 1 d . . . . .
H414 H 0.041780 0.150480 0.306504 0.035 Uiso 1 1 calc R U . . .
C415 C 0.2255(3) 0.2077(2) 0.26330(14) 0.0309(7) Uani 1 1 d . . . . .
H415 H 0.271129 0.144101 0.260268 0.037 Uiso 1 1 calc R U . . .
C416 C 0.2957(3) 0.2964(2) 0.24075(13) 0.0256(6) Uani 1 1 d . . . . .
H416 H 0.389674 0.292695 0.223043 0.031 Uiso 1 1 calc R U . . .
C421 C 0.2654(3) 0.53218(19) 0.13565(12) 0.0186(5) Uani 1 1 d . . . . .
C422 C 0.1310(3) 0.5131(2) 0.12869(13) 0.0263(6) Uani 1 1 d . . . . .
H422 H 0.068837 0.485435 0.163388 0.032 Uiso 1 1 calc R U . . .
C423 C 0.0858(3) 0.5340(2) 0.07122(14) 0.0332(7) Uani 1 1 d . . . . .
H423 H -0.006899 0.521124 0.067073 0.040 Uiso 1 1 calc R U . . .
C424 C 0.1755(4) 0.5734(2) 0.02052(14) 0.0363(8) Uani 1 1 d . . . . .
H424 H 0.144893 0.586890 -0.018653 0.044 Uiso 1 1 calc R U . . .
C425 C 0.3098(4) 0.5933(2) 0.02667(14) 0.0347(7) Uani 1 1 d . . . . .
H425 H 0.371550 0.620783 -0.008249 0.042 Uiso 1 1 calc R U . . .
C426 C 0.3547(3) 0.5732(2) 0.08383(12) 0.0259(6) Uani 1 1 d . . . . .
H426 H 0.447002 0.587517 0.087821 0.031 Uiso 1 1 calc R U . . .
C431 C 0.5005(3) 0.46275(19) 0.19465(11) 0.0171(5) Uani 1 1 d . . . . .
C432 C 0.5436(3) 0.4052(2) 0.14675(12) 0.0228(6) Uani 1 1 d . . . . .
H432 H 0.482369 0.395773 0.118480 0.027 Uiso 1 1 calc R U . . .
C433 C 0.6742(3) 0.3621(2) 0.14023(13) 0.0269(6) Uani 1 1 d . . . . .
H433 H 0.701716 0.323024 0.107617 0.032 Uiso 1 1 calc R U . . .
C434 C 0.7653(3) 0.3751(2) 0.18056(13) 0.0257(6) Uani 1 1 d . . . . .
H434 H 0.854839 0.344919 0.175912 0.031 Uiso 1 1 calc R U . . .
C435 C 0.7250(3) 0.4322(2) 0.22769(13) 0.0261(6) Uani 1 1 d . . . . .
H435 H 0.787186 0.442052 0.255493 0.031 Uiso 1 1 calc R U . . .
C436 C 0.5938(3) 0.4753(2) 0.23444(12) 0.0201(5) Uani 1 1 d . . . . .
H436 H 0.567207 0.514451 0.267099 0.024 Uiso 1 1 calc R U . . .
Cl1 Cl 0.1327(9) -0.1051(6) 0.5629(3) 0.154(3) Uani 0.452(4) 1 d D U P B -1
C1 C 0.234(2) -0.1004(13) 0.4894(6) 0.106(3) Uani 0.452(4) 1 d D U P B -1
H1A H 0.329642 -0.083117 0.492902 0.127 Uiso 0.452(4) 1 calc R U P B -1
H1B H 0.236200 -0.168251 0.475886 0.127 Uiso 0.452(4) 1 calc R U P B -1
C2 C 0.1822(18) -0.0272(9) 0.4434(6) 0.100(3) Uani 0.452(4) 1 d D U P B -1
H2A H 0.091061 -0.049997 0.436804 0.120 Uiso 0.452(4) 1 calc R U P B -1
H2B H 0.244907 -0.028231 0.404188 0.120 Uiso 0.452(4) 1 calc R U P B -1
Cl2 Cl 0.1645(5) 0.0950(2) 0.45823(15) 0.1146(18) Uani 0.452(4) 1 d D U P B -1
Cl3 Cl 0.1969(6) -0.0644(5) 0.5707(3) 0.0996(16) Uani 0.404(4) 1 d D U P C -2
C3 C 0.203(3) -0.0937(16) 0.4943(6) 0.111(3) Uani 0.404(4) 1 d D U P C -2
H3A H 0.255447 -0.158012 0.490811 0.133 Uiso 0.404(4) 1 calc R U P C -2
H3B H 0.107794 -0.104582 0.486708 0.133 Uiso 0.404(4) 1 calc R U P C -2
C4 C 0.2663(15) -0.0151(12) 0.4466(6) 0.098(3) Uani 0.404(4) 1 d D U P C -2
H4A H 0.213504 0.049404 0.448521 0.118 Uiso 0.404(4) 1 calc R U P C -2
H4B H 0.265603 -0.035689 0.405326 0.118 Uiso 0.404(4) 1 calc R U P C -2
Cl4 Cl 0.4320(5) 0.0006(3) 0.4587(3) 0.1183(19) Uani 0.404(4) 1 d D U P C -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
B1 H1 1.07(3) . ?
B1 B2 1.744(4) . ?
B1 B3 1.764(5) . ?
B1 B4 1.776(4) . ?
B1 B6 1.771(4) . ?
B1 B11 1.797(4) . ?
B2 H2 1.11(3) . ?
B2 B3 1.762(4) . ?
B2 B5 1.787(4) . ?
B2 B6 1.859(4) . ?
B2 Pt7 2.209(3) . ?
B3 H3 1.08(3) . ?
B3 B4 1.790(4) . ?
B3 B5 1.766(4) . ?
B3 B10 1.794(4) . ?
B4 H4 1.10(3) . ?
B4 Os9 2.266(3) . ?
B4 B10 1.803(5) . ?
B4 B11 1.817(4) . ?
B5 H5 1.07(3) . ?
B5 Pt7 2.287(3) . ?
B5 B10 1.845(4) . ?
B5 H510 1.29(3) . ?
B6 H6 1.11(3) . ?
B6 Pt7 2.230(3) . ?
B6 B8 1.755(4) . ?
B6 B11 1.782(4) . ?
Pt7 B8 2.392(3) . ?
Pt7 P1 2.3367(6) . ?
Pt7 P2 2.3328(7) . ?
B8 H8 1.06(3) . ?
B8 Os9 2.380(3) . ?
B8 B11 1.816(4) . ?
B8 H89 1.30(3) . ?
Os9 B10 2.355(3) . ?
Os9 B11 2.314(3) . ?
Os9 H89 1.81(3) . ?
Os9 C9 1.861(3) . ?
Os9 P3 2.3662(6) . ?
Os9 P4 2.4116(6) . ?
B10 H10 1.08(3) . ?
B10 H510 1.28(3) . ?
B11 H11 1.12(3) . ?
C9 O9 1.157(3) . ?
P1 C11 1.822(3) . ?
P1 C17 1.814(3) . ?
P1 C18 1.812(3) . ?
C11 C12 1.395(4) . ?
C11 C16 1.390(4) . ?
C12 H12 0.950 . ?
C12 C13 1.381(4) . ?
C13 H13 0.950 . ?
C13 C14 1.379(5) . ?
C14 H14 0.950 . ?
C14 C15 1.379(5) . ?
C15 H15 0.950 . ?
C15 C16 1.390(4) . ?
C16 H16 0.950 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
P2 C21 1.794(11) . ?
P2 C21' 1.832(7) . ?
P2 C27 1.815(3) . ?
P2 C28 1.812(3) . ?
C21 C22 1.396(12) . ?
C21 C26 1.387(12) . ?
C22 H22 0.950 . ?
C22 C23 1.394(11) . ?
C23 H23 0.950 . ?
C23 C24 1.400(13) . ?
C24 H24 0.950 . ?
C24 C25 1.368(13) . ?
C25 H25 0.950 . ?
C25 C26 1.390(12) . ?
C26 H26 0.950 . ?
C21' C22' 1.389(8) . ?
C21' C26' 1.414(9) . ?
C22' H22' 0.950 . ?
C22' C23' 1.388(9) . ?
C23' H23' 0.950 . ?
C23' C24' 1.388(10) . ?
C24' H24' 0.950 . ?
C24' C25' 1.398(9) . ?
C25' H25' 0.950 . ?
C25' C26' 1.400(8) . ?
C26' H26' 0.950 . ?
C27 H27A 0.980 . ?
C27 H27B 0.980 . ?
C27 H27C 0.980 . ?
C28 H28A 0.980 . ?
C28 H28B 0.980 . ?
C28 H28C 0.980 . ?
P3 C311 1.847(3) . ?
P3 C321 1.843(3) . ?
P3 C331 1.840(3) . ?
C311 C312 1.398(4) . ?
C311 C316 1.396(4) . ?
C312 H312 0.950 . ?
C312 C313 1.393(4) . ?
C313 H313 0.950 . ?
C313 C314 1.376(5) . ?
C314 H314 0.950 . ?
C314 C315 1.381(5) . ?
C315 H315 0.950 . ?
C315 C316 1.392(4) . ?
C316 H316 0.950 . ?
C321 C322 1.389(4) . ?
C321 C326 1.393(4) . ?
C322 H322 0.950 . ?
C322 C323 1.392(4) . ?
C323 H323 0.950 . ?
C323 C324 1.370(5) . ?
C324 H324 0.950 . ?
C324 C325 1.383(6) . ?
C325 H325 0.950 . ?
C325 C326 1.391(5) . ?
C326 H326 0.950 . ?
C331 C332 1.400(4) . ?
C331 C336 1.389(4) . ?
C332 H332 0.950 . ?
C332 C333 1.377(4) . ?
C333 H333 0.950 . ?
C333 C334 1.387(4) . ?
C334 H334 0.950 . ?
C334 C335 1.376(5) . ?
C335 H335 0.950 . ?
C335 C336 1.388(5) . ?
C336 H336 0.950 . ?
P4 C411 1.857(3) . ?
P4 C421 1.848(3) . ?
P4 C431 1.839(3) . ?
C411 C412 1.390(4) . ?
C411 C416 1.392(4) . ?
C412 H412 0.950 . ?
C412 C413 1.386(4) . ?
C413 H413 0.950 . ?
C413 C414 1.378(4) . ?
C414 H414 0.950 . ?
C414 C415 1.382(4) . ?
C415 H415 0.950 . ?
C415 C416 1.386(4) . ?
C416 H416 0.950 . ?
C421 C422 1.384(4) . ?
C421 C426 1.399(4) . ?
C422 H422 0.950 . ?
C422 C423 1.396(4) . ?
C423 H423 0.950 . ?
C423 C424 1.378(5) . ?
C424 H424 0.950 . ?
C424 C425 1.382(5) . ?
C425 H425 0.950 . ?
C425 C426 1.388(4) . ?
C426 H426 0.950 . ?
C431 C432 1.401(4) . ?
C431 C436 1.387(4) . ?
C432 H432 0.950 . ?
C432 C433 1.380(4) . ?
C433 H433 0.950 . ?
C433 C434 1.381(4) . ?
C434 H434 0.950 . ?
C434 C435 1.380(4) . ?
C435 H435 0.950 . ?
C435 C436 1.385(4) . ?
C436 H436 0.950 . ?
Cl1 C1 1.775(12) . ?
C1 H1A 0.990 . ?
C1 H1B 0.990 . ?
C1 C2 1.445(17) . ?
C2 H2A 0.990 . ?
C2 H2B 0.990 . ?
C2 Cl2 1.704(11) . ?
Cl3 C3 1.780(15) . ?
C3 H3A 0.990 . ?
C3 H3B 0.990 . ?
C3 C4 1.469(17) . ?
C4 H4A 0.990 . ?
C4 H4B 0.990 . ?
C4 Cl4 1.708(14) . ?

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
H1 B1 B2 119.6(16) . . ?
H1 B1 B3 118.3(15) . . ?
H1 B1 B4 120.6(16) . . ?
H1 B1 B6 122.1(16) . . ?
H1 B1 B11 119.5(16) . . ?
B2 B1 B3 60.33(17) . . ?
B2 B1 B4 109.3(2) . . ?
B2 B1 B6 63.84(17) . . ?
B2 B1 B11 113.1(2) . . ?
B3 B1 B4 60.77(18) . . ?
B3 B1 B6 111.5(2) . . ?
B3 B1 B11 112.2(2) . . ?
B4 B1 B6 108.1(2) . . ?
B4 B1 B11 61.12(17) . . ?
B6 B1 B11 59.91(17) . . ?
B1 B2 H2 120.3(16) . . ?
B1 B2 B3 60.39(18) . . ?
B1 B2 B5 109.3(2) . . ?
B1 B2 B6 58.79(17) . . ?
B1 B2 Pt7 119.41(18) . . ?
H2 B2 B3 122.2(15) . . ?
H2 B2 B5 121.5(15) . . ?
H2 B2 B6 120.3(15) . . ?
H2 B2 Pt7 107.2(16) . . ?
B3 B2 B5 59.68(17) . . ?
B3 B2 B6 107.6(2) . . ?
B3 B2 Pt7 121.42(18) . . ?
B5 B2 B6 110.7(2) . . ?
B5 B2 Pt7 68.88(14) . . ?
B6 B2 Pt7 65.84(13) . . ?
B1 B3 B2 59.28(18) . . ?
B1 B3 H3 124.5(17) . . ?
B1 B3 B4 59.95(18) . . ?
B1 B3 B5 109.3(2) . . ?
B1 B3 B10 109.2(2) . . ?
B2 B3 H3 123.1(17) . . ?
B2 B3 B4 107.8(2) . . ?
B2 B3 B5 60.85(17) . . ?
B2 B3 B10 110.2(2) . . ?
H3 B3 B4 121.6(17) . . ?
H3 B3 B5 117.9(17) . . ?
H3 B3 B10 117.4(16) . . ?
B4 B3 B5 110.4(2) . . ?
B4 B3 B10 60.41(17) . . ?
B5 B3 B10 62.43(17) . . ?
B1 B4 B3 59.28(18) . . ?
B1 B4 H4 118.3(16) . . ?
B1 B4 Os9 121.50(18) . . ?
B1 B4 B10 108.2(2) . . ?
B1 B4 B11 60.03(17) . . ?
B3 B4 H4 112.8(16) . . ?
B3 B4 Os9 123.43(19) . . ?
B3 B4 B10 59.90(17) . . ?
B3 B4 B11 110.1(2) . . ?
H4 B4 Os9 112.1(16) . . ?
H4 B4 B10 117.6(16) . . ?
H4 B4 B11 124.4(16) . . ?
Os9 B4 B10 69.68(14) . . ?
Os9 B4 B11 68.02(13) . . ?
B10 B4 B11 113.9(2) . . ?
B2 B5 B3 59.46(17) . . ?
B2 B5 H5 128.3(16) . . ?
B2 B5 Pt7 64.31(13) . . ?
B2 B5 B10 106.8(2) . . ?
B2 B5 H510 122.8(12) . . ?
B3 B5 H5 121.3(17) . . ?
B3 B5 Pt7 117.22(18) . . ?
B3 B5 B10 59.51(17) . . ?
B3 B5 H510 101.0(13) . . ?
H5 B5 Pt7 114.3(17) . . ?
H5 B5 B10 115.9(17) . . ?
H5 B5 H510 108(2) . . ?
Pt7 B5 B10 117.84(16) . . ?
Pt7 B5 H510 86.9(12) . . ?
B10 B5 H510 44.1(13) . . ?
B1 B6 B2 57.37(17) . . ?
B1 B6 H6 121.8(15) . . ?
B1 B6 Pt7 117.07(18) . . ?
B1 B6 B8 112.9(2) . . ?
B1 B6 B11 60.78(17) . . ?
B2 B6 H6 120.1(15) . . ?
B2 B6 Pt7 64.66(13) . . ?
B2 B6 B8 116.4(2) . . ?
B2 B6 B11 108.5(2) . . ?
H6 B6 Pt7 106.5(16) . . ?
H6 B6 B8 115.7(15) . . ?
H6 B6 B11 120.9(16) . . ?
Pt7 B6 B8 72.67(14) . . ?
Pt7 B6 B11 124.26(17) . . ?
B8 B6 B11 61.79(16) . . ?
B2 Pt7 B5 46.81(11) . . ?
B2 Pt7 B6 49.50(11) . . ?
B2 Pt7 B8 83.67(11) . . ?
B2 Pt7 P1 149.12(8) . . ?
B2 Pt7 P2 97.96(8) . . ?
B5 Pt7 B6 83.21(11) . . ?
B5 Pt7 B8 88.76(10) . . ?
B5 Pt7 P1 160.92(8) . . ?
B5 Pt7 P2 87.39(8) . . ?
B6 Pt7 B8 44.45(10) . . ?
B6 Pt7 P1 104.19(8) . . ?
B6 Pt7 P2 140.66(8) . . ?
B8 Pt7 P1 84.77(7) . . ?
B8 Pt7 P2 172.90(7) . . ?
P1 Pt7 P2 97.01(2) . . ?
B6 B8 Pt7 62.88(13) . . ?
B6 B8 H8 116.3(16) . . ?
B6 B8 Os9 116.29(17) . . ?
B6 B8 B11 59.84(17) . . ?
B6 B8 H89 133.8(15) . . ?
Pt7 B8 H8 107.9(17) . . ?
Pt7 B8 Os9 120.43(11) . . ?
Pt7 B8 B11 114.50(16) . . ?
Pt7 B8 H89 87.1(15) . . ?
H8 B8 Os9 120.0(17) . . ?
H8 B8 B11 123.9(17) . . ?
H8 B8 H89 106(2) . . ?
Os9 B8 B11 65.32(13) . . ?
Os9 B8 H89 48.8(15) . . ?
B11 B8 H89 111.3(15) . . ?
B4 Os9 B8 80.73(11) . . ?
B4 Os9 B10 45.88(11) . . ?
B4 Os9 B11 46.73(11) . . ?
B4 Os9 H89 99.0(11) . . ?
B4 Os9 C9 77.25(11) . . ?
B4 Os9 P3 123.15(8) . . ?
B4 Os9 P4 133.24(8) . . ?
B8 Os9 B10 85.81(10) . . ?
B8 Os9 B11 45.51(10) . . ?
B8 Os9 H89 32.7(10) . . ?
B8 Os9 C9 145.98(11) . . ?
B8 Os9 P3 123.71(7) . . ?
B8 Os9 P4 83.98(7) . . ?
B10 Os9 B11 81.03(11) . . ?
B10 Os9 H89 79.6(11) . . ?
B10 Os9 C9 96.86(11) . . ?
B10 Os9 P3 82.34(8) . . ?
B10 Os9 P4 169.67(7) . . ?
B11 Os9 H89 76.7(11) . . ?
B11 Os9 C9 101.21(11) . . ?
B11 Os9 P3 160.83(8) . . ?
B11 Os9 P4 92.89(8) . . ?
H89 Os9 C9 176.1(11) . . ?
H89 Os9 P3 91.0(11) . . ?
H89 Os9 P4 90.9(10) . . ?
C9 Os9 P3 90.17(9) . . ?
C9 Os9 P4 92.51(8) . . ?
P3 Os9 P4 102.05(2) . . ?
B3 B10 B4 59.70(17) . . ?
B3 B10 B5 58.06(17) . . ?
B3 B10 Os9 118.58(18) . . ?
B3 B10 H10 114.5(16) . . ?
B3 B10 H510 99.8(12) . . ?
B4 B10 B5 106.4(2) . . ?
B4 B10 Os9 64.43(13) . . ?
B4 B10 H10 129.9(17) . . ?
B4 B10 H510 123.2(12) . . ?
B5 B10 Os9 121.42(16) . . ?
B5 B10 H10 109.2(17) . . ?
B5 B10 H510 44.3(12) . . ?
Os9 B10 H10 119.9(16) . . ?
Os9 B10 H510 90.1(12) . . ?
H10 B10 H510 107(2) . . ?
B1 B11 B4 58.85(17) . . ?
B1 B11 B6 59.31(17) . . ?
B1 B11 B8 108.8(2) . . ?
B1 B11 Os9 118.01(18) . . ?
B1 B11 H11 115.8(16) . . ?
B4 B11 B6 105.9(2) . . ?
B4 B11 B8 111.9(2) . . ?
B4 B11 Os9 65.24(13) . . ?
B4 B11 H11 123.9(16) . . ?
B6 B11 B8 58.37(16) . . ?
B6 B11 Os9 118.34(17) . . ?
B6 B11 H11 117.1(16) . . ?
B8 B11 Os9 69.17(13) . . ?
B8 B11 H11 120.6(16) . . ?
Os9 B11 H11 116.3(16) . . ?
Os9 C9 O9 176.9(2) . . ?
Pt7 P1 C11 113.94(9) . . ?
Pt7 P1 C17 119.96(10) . . ?
Pt7 P1 C18 113.22(10) . . ?
C11 P1 C17 100.79(14) . . ?
C11 P1 C18 106.51(13) . . ?
C17 P1 C18 100.61(15) . . ?
P1 C11 C12 117.4(2) . . ?
P1 C11 C16 124.1(2) . . ?
C12 C11 C16 118.4(3) . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(3) . . ?
H12 C12 C13 119.4 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.8(3) . . ?
H13 C13 C14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.7(3) . . ?
H14 C14 C15 120.1 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C16 120.7(3) . . ?
H15 C15 C16 119.6 . . ?
C11 C16 C15 120.1(3) . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
P1 C17 H17A 109.5 . . ?
P1 C17 H17B 109.5 . . ?
P1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Pt7 P2 C21 113.3(10) . . ?
Pt7 P2 C21' 107.4(6) . . ?
Pt7 P2 C27 117.64(11) . . ?
Pt7 P2 C28 119.80(11) . . ?
C21 P2 C27 99.3(15) . . ?
C21 P2 C28 102.4(6) . . ?
C21' P2 C27 99.8(9) . . ?
C21' P2 C28 108.8(4) . . ?
C27 P2 C28 101.44(18) . . ?
P2 C21 C22 116.9(10) . . ?
P2 C21 C26 121.2(10) . . ?
C22 C21 C26 121.8(10) . . ?
C21 C22 H22 121.2 . . ?
C21 C22 C23 117.7(11) . . ?
H22 C22 C23 121.2 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.7(11) . . ?
H23 C23 C24 120.1 . . ?
C23 C24 H24 118.9 . . ?
C23 C24 C25 122.1(11) . . ?
H24 C24 C25 118.9 . . ?
C24 C25 H25 120.8 . . ?
C24 C25 C26 118.4(11) . . ?
H25 C25 C26 120.8 . . ?
C21 C26 C25 120.1(11) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
P2 C21' C22' 127.0(7) . . ?
P2 C21' C26' 114.5(6) . . ?
C22' C21' C26' 118.4(6) . . ?
C21' C22' H22' 118.7 . . ?
C21' C22' C23' 122.6(8) . . ?
H22' C22' C23' 118.7 . . ?
C22' C23' H23' 121.1 . . ?
C22' C23' C24' 117.9(8) . . ?
H23' C23' C24' 121.1 . . ?
C23' C24' H24' 119.0 . . ?
C23' C24' C25' 122.0(6) . . ?
H24' C24' C25' 119.0 . . ?
C24' C25' H25' 120.6 . . ?
C24' C25' C26' 118.9(7) . . ?
H25' C25' C26' 120.6 . . ?
C21' C26' C25' 120.2(7) . . ?
C21' C26' H26' 119.9 . . ?
C25' C26' H26' 119.9 . . ?
P2 C27 H27A 109.5 . . ?
P2 C27 H27B 109.5 . . ?
P2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
P2 C28 H28A 109.5 . . ?
P2 C28 H28B 109.5 . . ?
P2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Os9 P3 C311 117.50(10) . . ?
Os9 P3 C321 120.72(9) . . ?
Os9 P3 C331 112.58(9) . . ?
C311 P3 C321 99.48(13) . . ?
C311 P3 C331 102.64(12) . . ?
C321 P3 C331 101.15(13) . . ?
P3 C311 C312 119.8(2) . . ?
P3 C311 C316 121.6(2) . . ?
C312 C311 C316 118.5(3) . . ?
C311 C312 H312 119.7 . . ?
C311 C312 C313 120.6(3) . . ?
H312 C312 C313 119.7 . . ?
C312 C313 H313 119.9 . . ?
C312 C313 C314 120.2(3) . . ?
H313 C313 C314 119.9 . . ?
C313 C314 H314 120.1 . . ?
C313 C314 C315 119.9(3) . . ?
H314 C314 C315 120.1 . . ?
C314 C315 H315 119.8 . . ?
C314 C315 C316 120.5(3) . . ?
H315 C315 C316 119.8 . . ?
C311 C316 C315 120.3(3) . . ?
C311 C316 H316 119.9 . . ?
C315 C316 H316 119.9 . . ?
P3 C321 C322 123.4(2) . . ?
P3 C321 C326 118.4(2) . . ?
C322 C321 C326 118.2(3) . . ?
C321 C322 H322 119.3 . . ?
C321 C322 C323 121.4(3) . . ?
H322 C322 C323 119.3 . . ?
C322 C323 H323 120.2 . . ?
C322 C323 C324 119.6(3) . . ?
H323 C323 C324 120.2 . . ?
C323 C324 H324 120.0 . . ?
C323 C324 C325 120.1(3) . . ?
H324 C324 C325 120.0 . . ?
C324 C325 H325 119.8 . . ?
C324 C325 C326 120.4(3) . . ?
H325 C325 C326 119.8 . . ?
C321 C326 C325 120.3(3) . . ?
C321 C326 H326 119.9 . . ?
C325 C326 H326 119.9 . . ?
P3 C331 C332 119.6(2) . . ?
P3 C331 C336 122.5(2) . . ?
C332 C331 C336 118.0(3) . . ?
C331 C332 H332 119.4 . . ?
C331 C332 C333 121.3(3) . . ?
H332 C332 C333 119.4 . . ?
C332 C333 H333 120.1 . . ?
C332 C333 C334 119.8(3) . . ?
H333 C333 C334 120.1 . . ?
C333 C334 H334 120.1 . . ?
C333 C334 C335 119.8(3) . . ?
H334 C334 C335 120.1 . . ?
C334 C335 H335 119.9 . . ?
C334 C335 C336 120.3(3) . . ?
H335 C335 C336 119.9 . . ?
C331 C336 C335 120.8(3) . . ?
C331 C336 H336 119.6 . . ?
C335 C336 H336 119.6 . . ?
Os9 P4 C411 119.53(8) . . ?
Os9 P4 C421 114.07(8) . . ?
Os9 P4 C431 117.96(9) . . ?
C411 P4 C421 99.10(12) . . ?
C411 P4 C431 100.81(12) . . ?
C421 P4 C431 102.32(12) . . ?
P4 C411 C412 120.6(2) . . ?
P4 C411 C416 122.1(2) . . ?
C412 C411 C416 117.3(2) . . ?
C411 C412 H412 119.3 . . ?
C411 C412 C413 121.4(3) . . ?
H412 C412 C413 119.3 . . ?
C412 C413 H413 119.7 . . ?
C412 C413 C414 120.5(3) . . ?
H413 C413 C414 119.7 . . ?
C413 C414 H414 120.5 . . ?
C413 C414 C415 119.0(3) . . ?
H414 C414 C415 120.5 . . ?
C414 C415 H415 119.8 . . ?
C414 C415 C416 120.4(3) . . ?
H415 C415 C416 119.8 . . ?
C411 C416 C415 121.4(3) . . ?
C411 C416 H416 119.3 . . ?
C415 C416 H416 119.3 . . ?
P4 C421 C422 120.8(2) . . ?
P4 C421 C426 120.7(2) . . ?
C422 C421 C426 118.5(2) . . ?
C421 C422 H422 119.6 . . ?
C421 C422 C423 120.7(3) . . ?
H422 C422 C423 119.6 . . ?
C422 C423 H423 120.0 . . ?
C422 C423 C424 120.1(3) . . ?
H423 C423 C424 120.0 . . ?
C423 C424 H424 120.0 . . ?
C423 C424 C425 120.0(3) . . ?
H424 C424 C425 120.0 . . ?
C424 C425 H425 120.0 . . ?
C424 C425 C426 120.0(3) . . ?
H425 C425 C426 120.0 . . ?
C421 C426 C425 120.7(3) . . ?
C421 C426 H426 119.6 . . ?
C425 C426 H426 119.6 . . ?
P4 C431 C432 123.7(2) . . ?
P4 C431 C436 118.34(19) . . ?
C432 C431 C436 117.7(2) . . ?
C431 C432 H432 119.7 . . ?
C431 C432 C433 120.7(3) . . ?
H432 C432 C433 119.7 . . ?
C432 C433 H433 119.6 . . ?
C432 C433 C434 120.7(3) . . ?
H433 C433 C434 119.6 . . ?
C433 C434 H434 120.3 . . ?
C433 C434 C435 119.4(3) . . ?
H434 C434 C435 120.3 . . ?
C434 C435 H435 120.0 . . ?
C434 C435 C436 120.0(3) . . ?
H435 C435 C436 120.0 . . ?
C431 C436 C435 121.6(2) . . ?
C431 C436 H436 119.2 . . ?
C435 C436 H436 119.2 . . ?
Cl1 C1 H1A 109.0 . . ?
Cl1 C1 H1B 109.0 . . ?
Cl1 C1 C2 113.0(13) . . ?
H1A C1 H1B 107.8 . . ?
H1A C1 C2 109.0 . . ?
H1B C1 C2 109.0 . . ?
C1 C2 H2A 108.0 . . ?
C1 C2 H2B 108.0 . . ?
C1 C2 Cl2 117.1(11) . . ?
H2A C2 H2B 107.3 . . ?
H2A C2 Cl2 108.0 . . ?
H2B C2 Cl2 108.0 . . ?
Cl3 C3 H3A 108.7 . . ?
Cl3 C3 H3B 108.7 . . ?
Cl3 C3 C4 114.0(13) . . ?
H3A C3 H3B 107.6 . . ?
H3A C3 C4 108.7 . . ?
H3B C3 C4 108.7 . . ?
C3 C4 H4A 110.0 . . ?
C3 C4 H4B 110.0 . . ?
C3 C4 Cl4 108.5(12) . . ?
H4A C4 H4B 108.4 . . ?
H4A C4 Cl4 110.0 . . ?
H4B C4 Cl4 110.0 . . ?

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
B3 B1 B2 B5 35.53(19) . . . . ?
B3 B1 B2 B6 138.6(2) . . . . ?
B3 B1 B2 Pt7 111.6(2) . . . . ?
B4 B1 B2 B3 -37.4(2) . . . . ?
B4 B1 B2 B5 -1.8(3) . . . . ?
B4 B1 B2 B6 101.2(2) . . . . ?
B4 B1 B2 Pt7 74.2(3) . . . . ?
B6 B1 B2 B3 -138.6(2) . . . . ?
B6 B1 B2 B5 -103.1(2) . . . . ?
B6 B1 B2 Pt7 -27.01(19) . . . . ?
B11 B1 B2 B3 -103.3(2) . . . . ?
B11 B1 B2 B5 -67.8(3) . . . . ?
B11 B1 B2 B6 35.3(2) . . . . ?
B11 B1 B2 Pt7 8.3(3) . . . . ?
B1 B2 B3 B4 36.6(2) . . . . ?
B1 B2 B3 B5 140.5(2) . . . . ?
B1 B2 B3 B10 100.9(2) . . . . ?
B5 B2 B3 B1 -140.5(2) . . . . ?
B5 B2 B3 B4 -103.9(2) . . . . ?
B5 B2 B3 B10 -39.7(2) . . . . ?
B6 B2 B3 B1 -36.39(19) . . . . ?
B6 B2 B3 B4 0.2(3) . . . . ?
B6 B2 B3 B5 104.2(2) . . . . ?
B6 B2 B3 B10 64.5(3) . . . . ?
Pt7 B2 B3 B1 -108.3(2) . . . . ?
Pt7 B2 B3 B4 -71.7(3) . . . . ?
Pt7 B2 B3 B5 32.20(19) . . . . ?
Pt7 B2 B3 B10 -7.5(3) . . . . ?
B2 B1 B3 B4 -139.0(2) . . . . ?
B2 B1 B3 B5 -36.0(2) . . . . ?
B2 B1 B3 B10 -102.6(2) . . . . ?
B4 B1 B3 B2 139.0(2) . . . . ?
B4 B1 B3 B5 103.0(2) . . . . ?
B4 B1 B3 B10 36.4(2) . . . . ?
B6 B1 B3 B2 39.6(2) . . . . ?
B6 B1 B3 B4 -99.3(2) . . . . ?
B6 B1 B3 B5 3.6(3) . . . . ?
B6 B1 B3 B10 -63.0(3) . . . . ?
B11 B1 B3 B2 104.7(2) . . . . ?
B11 B1 B3 B4 -34.3(2) . . . . ?
B11 B1 B3 B5 68.7(3) . . . . ?
B11 B1 B3 B10 2.1(3) . . . . ?
B2 B1 B4 B3 37.2(2) . . . . ?
B2 B1 B4 Os9 -75.6(3) . . . . ?
B2 B1 B4 B10 1.2(3) . . . . ?
B2 B1 B4 B11 -106.3(2) . . . . ?
B3 B1 B4 Os9 -112.8(2) . . . . ?
B3 B1 B4 B10 -35.9(2) . . . . ?
B3 B1 B4 B11 -143.5(2) . . . . ?
B6 B1 B4 B3 105.0(2) . . . . ?
B6 B1 B4 Os9 -7.8(3) . . . . ?
B6 B1 B4 B10 69.1(3) . . . . ?
B6 B1 B4 B11 -38.5(2) . . . . ?
B11 B1 B4 B3 143.5(2) . . . . ?
B11 B1 B4 Os9 30.7(2) . . . . ?
B11 B1 B4 B10 107.6(2) . . . . ?
B1 B3 B4 Os9 109.6(2) . . . . ?
B1 B3 B4 B10 139.9(2) . . . . ?
B1 B3 B4 B11 33.3(2) . . . . ?
B2 B3 B4 B1 -36.3(2) . . . . ?
B2 B3 B4 Os9 73.3(3) . . . . ?
B2 B3 B4 B10 103.6(2) . . . . ?
B2 B3 B4 B11 -3.0(3) . . . . ?
B5 B3 B4 B1 -101.1(2) . . . . ?
B5 B3 B4 Os9 8.5(3) . . . . ?
B5 B3 B4 B10 38.8(2) . . . . ?
B5 B3 B4 B11 -67.8(3) . . . . ?
B10 B3 B4 B1 -139.9(2) . . . . ?
B10 B3 B4 Os9 -30.3(2) . . . . ?
B10 B3 B4 B11 -106.6(2) . . . . ?
B1 B3 B5 B2 35.4(2) . . . . ?
B1 B3 B5 Pt7 5.8(3) . . . . ?
B1 B3 B5 B10 -102.1(2) . . . . ?
B2 B3 B5 Pt7 -29.60(18) . . . . ?
B2 B3 B5 B10 -137.5(2) . . . . ?
B4 B3 B5 B2 99.5(2) . . . . ?
B4 B3 B5 Pt7 69.9(3) . . . . ?
B4 B3 B5 B10 -37.9(2) . . . . ?
B10 B3 B5 B2 137.5(2) . . . . ?
B10 B3 B5 Pt7 107.9(2) . . . . ?
B1 B2 B5 B3 -35.8(2) . . . . ?
B1 B2 B5 Pt7 115.00(19) . . . . ?
B1 B2 B5 B10 1.7(3) . . . . ?
B3 B2 B5 Pt7 150.83(18) . . . . ?
B3 B2 B5 B10 37.49(18) . . . . ?
B6 B2 B5 B3 -98.8(2) . . . . ?
B6 B2 B5 Pt7 52.05(17) . . . . ?
B6 B2 B5 B10 -61.3(2) . . . . ?
Pt7 B2 B5 B3 -150.83(18) . . . . ?
Pt7 B2 B5 B10 -113.34(17) . . . . ?
B2 B1 B6 Pt7 26.11(18) . . . . ?
B2 B1 B6 B8 107.6(2) . . . . ?
B2 B1 B6 B11 142.1(2) . . . . ?
B3 B1 B6 B2 -38.1(2) . . . . ?
B3 B1 B6 Pt7 -12.0(3) . . . . ?
B3 B1 B6 B8 69.5(3) . . . . ?
B3 B1 B6 B11 104.0(2) . . . . ?
B4 B1 B6 B2 -103.1(2) . . . . ?
B4 B1 B6 Pt7 -77.0(2) . . . . ?
B4 B1 B6 B8 4.5(3) . . . . ?
B4 B1 B6 B11 39.0(2) . . . . ?
B11 B1 B6 B2 -142.1(2) . . . . ?
B11 B1 B6 Pt7 -116.0(2) . . . . ?
B11 B1 B6 B8 -34.5(2) . . . . ?
B1 B2 B6 Pt7 -154.30(18) . . . . ?
B1 B2 B6 B8 -101.4(3) . . . . ?
B1 B2 B6 B11 -34.4(2) . . . . ?
B3 B2 B6 B1 37.1(2) . . . . ?
B3 B2 B6 Pt7 -117.21(19) . . . . ?
B3 B2 B6 B8 -64.3(3) . . . . ?
B3 B2 B6 B11 2.7(3) . . . . ?
B5 B2 B6 B1 100.6(2) . . . . ?
B5 B2 B6 Pt7 -53.72(17) . . . . ?
B5 B2 B6 B8 -0.8(3) . . . . ?
B5 B2 B6 B11 66.2(3) . . . . ?
Pt7 B2 B6 B1 154.30(18) . . . . ?
Pt7 B2 B6 B8 52.89(19) . . . . ?
Pt7 B2 B6 B11 119.91(18) . . . . ?
B1 B6 B8 Pt7 -112.7(2) . . . . ?
B1 B6 B8 Os9 -0.2(3) . . . . ?
B1 B6 B8 B11 34.1(2) . . . . ?
B2 B6 B8 Pt7 -49.02(18) . . . . ?
B2 B6 B8 Os9 63.4(3) . . . . ?
B2 B6 B8 B11 97.8(2) . . . . ?
Pt7 B6 B8 Os9 112.44(14) . . . . ?
Pt7 B6 B8 B11 146.78(17) . . . . ?
B11 B6 B8 Pt7 -146.78(17) . . . . ?
B11 B6 B8 Os9 -34.34(17) . . . . ?
B1 B3 B10 B4 -36.2(2) . . . . ?
B1 B3 B10 B5 102.3(2) . . . . ?
B1 B3 B10 Os9 -8.8(3) . . . . ?
B2 B3 B10 B4 -99.5(2) . . . . ?
B2 B3 B10 B5 39.0(2) . . . . ?
B2 B3 B10 Os9 -72.1(3) . . . . ?
B4 B3 B10 B5 138.5(2) . . . . ?
B4 B3 B10 Os9 27.43(18) . . . . ?
B5 B3 B10 B4 -138.5(2) . . . . ?
B5 B3 B10 Os9 -111.1(2) . . . . ?
B1 B4 B10 B3 35.67(19) . . . . ?
B1 B4 B10 B5 -0.2(3) . . . . ?
B1 B4 B10 Os9 -117.69(19) . . . . ?
B3 B4 B10 B5 -35.85(18) . . . . ?
B3 B4 B10 Os9 -153.35(17) . . . . ?
Os9 B4 B10 B3 153.35(17) . . . . ?
Os9 B4 B10 B5 117.50(17) . . . . ?
B11 B4 B10 B3 100.2(2) . . . . ?
B11 B4 B10 B5 64.4(3) . . . . ?
B11 B4 B10 Os9 -53.12(17) . . . . ?
B2 B5 B10 B3 -37.46(19) . . . . ?
B2 B5 B10 B4 -0.9(2) . . . . ?
B2 B5 B10 Os9 68.8(2) . . . . ?
B3 B5 B10 B4 36.58(19) . . . . ?
B3 B5 B10 Os9 106.2(2) . . . . ?
Pt7 B5 B10 B3 -106.8(2) . . . . ?
Pt7 B5 B10 B4 -70.2(2) . . . . ?
Pt7 B5 B10 Os9 -0.6(3) . . . . ?
B1 B6 B11 B4 -37.45(19) . . . . ?
B1 B6 B11 B8 -143.7(2) . . . . ?
B1 B6 B11 Os9 -107.5(2) . . . . ?
B2 B6 B11 B1 33.03(19) . . . . ?
B2 B6 B11 B4 -4.4(3) . . . . ?
B2 B6 B11 B8 -110.7(2) . . . . ?
B2 B6 B11 Os9 -74.5(2) . . . . ?
Pt7 B6 B11 B1 104.5(2) . . . . ?
Pt7 B6 B11 B4 67.0(3) . . . . ?
Pt7 B6 B11 B8 -39.25(19) . . . . ?
Pt7 B6 B11 Os9 -3.0(3) . . . . ?
B8 B6 B11 B1 143.7(2) . . . . ?
B8 B6 B11 B4 106.3(2) . . . . ?
B8 B6 B11 Os9 36.23(18) . . . . ?
B2 B1 B11 B4 100.1(3) . . . . ?
B2 B1 B11 B6 -36.8(2) . . . . ?
B2 B1 B11 B8 -4.6(3) . . . . ?
B2 B1 B11 Os9 71.2(3) . . . . ?
B3 B1 B11 B4 34.1(2) . . . . ?
B3 B1 B11 B6 -102.8(2) . . . . ?
B3 B1 B11 B8 -70.6(3) . . . . ?
B3 B1 B11 Os9 5.3(3) . . . . ?
B4 B1 B11 B6 -136.9(2) . . . . ?
B4 B1 B11 B8 -104.7(2) . . . . ?
B4 B1 B11 Os9 -28.86(19) . . . . ?
B6 B1 B11 B4 136.9(2) . . . . ?
B6 B1 B11 B8 32.16(19) . . . . ?
B6 B1 B11 Os9 108.0(2) . . . . ?
B6 B8 B11 B1 -32.5(2) . . . . ?
B6 B8 B11 B4 -95.7(2) . . . . ?
B6 B8 B11 Os9 -146.18(17) . . . . ?
Pt7 B8 B11 B1 -0.1(3) . . . . ?
Pt7 B8 B11 B4 -63.3(2) . . . . ?
Pt7 B8 B11 B6 32.40(16) . . . . ?
Pt7 B8 B11 Os9 -113.78(14) . . . . ?
Os9 B8 B11 B1 113.7(2) . . . . ?
Os9 B8 B11 B4 50.53(17) . . . . ?
Os9 B8 B11 B6 146.18(17) . . . . ?
B1 B4 B11 B6 37.66(19) . . . . ?
B1 B4 B11 B8 99.4(2) . . . . ?
B1 B4 B11 Os9 152.01(18) . . . . ?
B3 B4 B11 B1 -33.0(2) . . . . ?
B3 B4 B11 B6 4.7(3) . . . . ?
B3 B4 B11 B8 66.4(3) . . . . ?
B3 B4 B11 Os9 119.0(2) . . . . ?
Os9 B4 B11 B1 -152.01(18) . . . . ?
Os9 B4 B11 B6 -114.35(18) . . . . ?
Os9 B4 B11 B8 -52.61(17) . . . . ?
B10 B4 B11 B1 -98.0(2) . . . . ?
B10 B4 B11 B6 -60.4(3) . . . . ?
B10 B4 B11 B8 1.4(3) . . . . ?
B10 B4 B11 Os9 53.99(18) . . . . ?
Pt7 P1 C11 C12 61.1(3) . . . . ?
Pt7 P1 C11 C16 -121.3(2) . . . . ?
C17 P1 C11 C12 -68.7(3) . . . . ?
C17 P1 C11 C16 108.8(3) . . . . ?
C18 P1 C11 C12 -173.3(2) . . . . ?
C18 P1 C11 C16 4.2(3) . . . . ?
P1 C11 C12 C13 176.9(3) . . . . ?
C16 C11 C12 C13 -0.8(5) . . . . ?
C11 C12 C13 C14 0.4(6) . . . . ?
C12 C13 C14 C15 0.3(6) . . . . ?
C13 C14 C15 C16 -0.7(6) . . . . ?
C14 C15 C16 C11 0.3(5) . . . . ?
P1 C11 C16 C15 -177.1(2) . . . . ?
C12 C11 C16 C15 0.4(4) . . . . ?
Pt7 P2 C21 C22 -140(2) . . . . ?
Pt7 P2 C21 C26 35(4) . . . . ?
C27 P2 C21 C22 94(3) . . . . ?
C27 P2 C21 C26 -90(3) . . . . ?
C28 P2 C21 C22 -10(3) . . . . ?
C28 P2 C21 C26 166(3) . . . . ?
P2 C21 C22 C23 178.8(19) . . . . ?
C26 C21 C22 C23 3(4) . . . . ?
C21 C22 C23 C24 -3(3) . . . . ?
C22 C23 C24 C25 4(2) . . . . ?
C23 C24 C25 C26 -4(2) . . . . ?
P2 C21 C26 C25 -179(2) . . . . ?
C22 C21 C26 C25 -4(5) . . . . ?
C24 C25 C26 C21 4(3) . . . . ?
Pt7 P2 C21' C22' -140.8(19) . . . . ?
Pt7 P2 C21' C26' 42.0(19) . . . . ?
C27 P2 C21' C22' 96(2) . . . . ?
C27 P2 C21' C26' -81.2(17) . . . . ?
C28 P2 C21' C22' -10(2) . . . . ?
C28 P2 C21' C26' 173.0(14) . . . . ?
P2 C21' C22' C23' -179.3(14) . . . . ?
C26' C21' C22' C23' -2(3) . . . . ?
C21' C22' C23' C24' 0.3(17) . . . . ?
C22' C23' C24' C25' 0.5(11) . . . . ?
C23' C24' C25' C26' 0.5(10) . . . . ?
C24' C25' C26' C21' -2.3(16) . . . . ?
P2 C21' C26' C25' -179.4(10) . . . . ?
C22' C21' C26' C25' 3(3) . . . . ?
Os9 P3 C311 C312 157.0(2) . . . . ?
Os9 P3 C311 C316 -26.4(3) . . . . ?
C321 P3 C311 C312 24.8(3) . . . . ?
C321 P3 C311 C316 -158.5(2) . . . . ?
C331 P3 C311 C312 -78.9(3) . . . . ?
C331 P3 C311 C316 97.7(3) . . . . ?
P3 C311 C312 C313 176.9(2) . . . . ?
C316 C311 C312 C313 0.1(4) . . . . ?
C311 C312 C313 C314 -1.8(5) . . . . ?
C312 C313 C314 C315 1.7(5) . . . . ?
C313 C314 C315 C316 0.0(5) . . . . ?
C314 C315 C316 C311 -1.7(5) . . . . ?
P3 C311 C316 C315 -175.1(2) . . . . ?
C312 C311 C316 C315 1.6(4) . . . . ?
Os9 P3 C321 C322 116.8(2) . . . . ?
Os9 P3 C321 C326 -62.2(2) . . . . ?
C311 P3 C321 C322 -113.2(2) . . . . ?
C311 P3 C321 C326 67.9(2) . . . . ?
C331 P3 C321 C322 -8.1(3) . . . . ?
C331 P3 C321 C326 172.9(2) . . . . ?
P3 C321 C322 C323 -176.9(2) . . . . ?
C326 C321 C322 C323 2.1(4) . . . . ?
C321 C322 C323 C324 -0.7(5) . . . . ?
C322 C323 C324 C325 -1.0(5) . . . . ?
C323 C324 C325 C326 1.3(5) . . . . ?
C324 C325 C326 C321 0.1(5) . . . . ?
P3 C321 C326 C325 177.3(2) . . . . ?
C322 C321 C326 C325 -1.8(4) . . . . ?
Os9 P3 C331 C332 -50.0(2) . . . . ?
Os9 P3 C331 C336 130.7(2) . . . . ?
C311 P3 C331 C332 -177.2(2) . . . . ?
C311 P3 C331 C336 3.4(3) . . . . ?
C321 P3 C331 C332 80.3(2) . . . . ?
C321 P3 C331 C336 -99.1(3) . . . . ?
P3 C331 C332 C333 -179.1(2) . . . . ?
C336 C331 C332 C333 0.3(4) . . . . ?
C331 C332 C333 C334 -1.4(4) . . . . ?
C332 C333 C334 C335 1.1(5) . . . . ?
C333 C334 C335 C336 0.2(5) . . . . ?
C334 C335 C336 C331 -1.2(5) . . . . ?
P3 C331 C336 C335 -179.7(3) . . . . ?
C332 C331 C336 C335 1.0(5) . . . . ?
Os9 P4 C411 C412 41.7(2) . . . . ?
Os9 P4 C411 C416 -139.7(2) . . . . ?
C421 P4 C411 C412 -82.8(2) . . . . ?
C421 P4 C411 C416 95.9(2) . . . . ?
C431 P4 C411 C412 172.7(2) . . . . ?
C431 P4 C411 C416 -8.6(3) . . . . ?
P4 C411 C412 C413 179.8(2) . . . . ?
C416 C411 C412 C413 1.1(4) . . . . ?
C411 C412 C413 C414 -0.7(5) . . . . ?
C412 C413 C414 C415 -0.5(5) . . . . ?
C413 C414 C415 C416 1.4(5) . . . . ?
C414 C415 C416 C411 -1.1(5) . . . . ?
P4 C411 C416 C415 -178.9(2) . . . . ?
C412 C411 C416 C415 -0.2(4) . . . . ?
Os9 P4 C421 C422 -88.1(2) . . . . ?
Os9 P4 C421 C426 88.4(2) . . . . ?
C411 P4 C421 C422 40.1(2) . . . . ?
C411 P4 C421 C426 -143.4(2) . . . . ?
C431 P4 C421 C422 143.3(2) . . . . ?
C431 P4 C421 C426 -40.1(2) . . . . ?
P4 C421 C422 C423 176.8(2) . . . . ?
C426 C421 C422 C423 0.2(4) . . . . ?
C421 C422 C423 C424 0.5(5) . . . . ?
C422 C423 C424 C425 -0.8(5) . . . . ?
C423 C424 C425 C426 0.3(5) . . . . ?
C424 C425 C426 C421 0.4(5) . . . . ?
P4 C421 C426 C425 -177.3(2) . . . . ?
C422 C421 C426 C425 -0.7(4) . . . . ?
Os9 P4 C431 C432 -157.79(19) . . . . ?
Os9 P4 C431 C436 28.9(2) . . . . ?
C411 P4 C431 C432 70.2(2) . . . . ?
C411 P4 C431 C436 -103.1(2) . . . . ?
C421 P4 C431 C432 -31.7(2) . . . . ?
C421 P4 C431 C436 155.0(2) . . . . ?
P4 C431 C432 C433 -172.7(2) . . . . ?
C436 C431 C432 C433 0.6(4) . . . . ?
C431 C432 C433 C434 -0.3(4) . . . . ?
C432 C433 C434 C435 -0.3(4) . . . . ?
C433 C434 C435 C436 0.5(4) . . . . ?
C434 C435 C436 C431 -0.1(4) . . . . ?
P4 C431 C436 C435 173.3(2) . . . . ?
C432 C431 C436 C435 -0.4(4) . . . . ?
Cl1 C1 C2 Cl2 57(2) . . . . ?
Cl3 C3 C4 Cl4 60.2(19) . . . . ?

_refine_diff_density_max         0.926
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.071



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ewc190013_compound6
_database_code_depnum_ccdc_archive 'CCDC 2103312'
loop_
_audit_author_name
_audit_author_address
'Bill Clegg'
;Newcastle University
United Kingdom
;
_audit_update_record             
;
2021-08-15 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H46 B9 O P3 Pt Ru'
_chemical_formula_sum            'C35 H46 B9 O P3 Pt Ru'
_chemical_formula_weight         969.08

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'
B B 0.0090 0.0039 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.49283(13)
_cell_length_b                   16.98921(13)
_cell_length_c                   11.52564(15)
_cell_angle_alpha                90
_cell_angle_beta                 116.8368(15)
_cell_angle_gamma                90
_cell_volume                     2008.05(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    19016
_cell_measurement_theta_min      4.26
_cell_measurement_theta_max      66.85

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_F_000             952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    10.796
_shelx_estimated_absorpt_T_min   0.210
_shelx_estimated_absorpt_T_max   0.672
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.252
_exptl_absorpt_correction_T_max  0.658
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.42b (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
   model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 0 0.0185
0 0 0 0.0205
-1 0 0 0.0571
1 0 0 0.0421
0 1 0 0.0885
0 -1 0 0.1215
0 -2 1 0.0853

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'Oxford Diffraction Gemini A Ultra diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3968
_diffrn_reflns_number            28920
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         4.299
_diffrn_reflns_theta_max         66.913
_diffrn_reflns_theta_full        66.913
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_point_group_measured_fraction_full 0.932
_reflns_number_total             6668
_reflns_number_gt                6589
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.804
_reflns_Friedel_fraction_max     0.863
_reflns_Friedel_fraction_full    0.863

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_structure_solution    SHELXT-2018/2
_computing_structure_refinement  SHELXL-2018/3
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL and local programs'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0187P)²+0.1917P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00005(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
;
 Flack x determined using 2891 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.042(4)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6668
_refine_ls_number_parameters     484
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0156
_refine_ls_R_factor_gt           0.0151
_refine_ls_wR_factor_ref         0.0341
_refine_ls_wR_factor_gt          0.0338
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Pt1 Pt 0.79357(2) 0.50461(2) 0.43972(2) 0.01654(5) Uani 1 1 d . . . . .
Ru1 Ru 1.00991(2) 0.42046(2) 0.42970(3) 0.01570(7) Uani 1 1 d . . . . .
H1 H 0.831(6) 0.456(3) 0.337(6) 0.047(16) Uiso 1 1 d . . . . .
B2 B 0.9845(4) 0.4893(3) 0.5670(4) 0.0203(9) Uani 1 1 d . . . . .
B3 B 1.1133(4) 0.3357(3) 0.5849(5) 0.0249(9) Uani 1 1 d . . . . .
H3 H 1.103(5) 0.265(3) 0.574(5) 0.030 Uiso 1 1 d . U . . .
B4 B 1.1988(4) 0.4791(3) 0.4946(4) 0.0216(9) Uani 1 1 d . . . . .
H4 H 1.246(4) 0.505(4) 0.436(4) 0.026 Uiso 1 1 d . U . . .
B5 B 1.0363(4) 0.3985(3) 0.6470(5) 0.0230(9) Uani 1 1 d . . . . .
H5 H 0.974(5) 0.371(3) 0.679(5) 0.028 Uiso 1 1 d . U . . .
B6 B 1.2357(4) 0.3893(3) 0.5735(5) 0.0239(9) Uani 1 1 d . . . . .
H6 H 1.310(5) 0.355(3) 0.561(5) 0.029 Uiso 1 1 d . U . . .
B7 B 1.1186(4) 0.5346(3) 0.5626(4) 0.0195(8) Uani 1 1 d . . . . .
H7 H 1.108(4) 0.595(3) 0.541(5) 0.023 Uiso 1 1 d . U . . .
B8 B 1.1308(4) 0.4872(3) 0.7079(4) 0.0236(10) Uani 1 1 d . . . . .
H8 H 1.140(4) 0.515(3) 0.798(4) 0.028 Uiso 1 1 d . U . . .
B9 B 1.2105(4) 0.3941(3) 0.7180(5) 0.0247(10) Uani 1 1 d . . . . .
H9 H 1.282(5) 0.371(3) 0.816(5) 0.030 Uiso 1 1 d . U . . .
B10 B 1.2619(4) 0.4807(3) 0.6638(5) 0.0239(10) Uani 1 1 d . . . . .
H10 H 1.357(4) 0.503(4) 0.723(4) 0.029 Uiso 1 1 d . U . . .
C1 C 0.9200(4) 0.3223(3) 0.3535(4) 0.0254(9) Uani 1 1 d . . . . .
O1 O 0.8629(3) 0.26629(19) 0.3102(4) 0.0401(8) Uani 1 1 d . . . . .
P1 P 0.58154(8) 0.49332(6) 0.27118(9) 0.0196(2) Uani 1 1 d . . . . .
C11 C 0.5298(4) 0.5712(2) 0.1497(4) 0.0213(8) Uani 1 1 d . . . . .
C12 C 0.4126(4) 0.5686(3) 0.0352(4) 0.0273(9) Uani 1 1 d . . . . .
H12 H 0.356954 0.524170 0.018053 0.033 Uiso 1 1 calc R U . . .
C13 C 0.3767(5) 0.6296(3) -0.0531(5) 0.0344(10) Uani 1 1 d . . . . .
H13 H 0.296774 0.627140 -0.130683 0.041 Uiso 1 1 calc R U . . .
C14 C 0.4574(5) 0.6947(3) -0.0285(5) 0.0372(11) Uani 1 1 d . . . . .
H14 H 0.432650 0.736830 -0.089201 0.045 Uiso 1 1 calc R U . . .
C15 C 0.5731(5) 0.6982(3) 0.0835(5) 0.0350(10) Uani 1 1 d . . . . .
H15 H 0.627802 0.743017 0.100010 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6107(4) 0.6369(3) 0.1727(4) 0.0265(9) Uani 1 1 d . . . . .
H16 H 0.691380 0.639580 0.249334 0.032 Uiso 1 1 calc R U . . .
C17 C 0.4479(4) 0.4886(3) 0.3152(4) 0.0289(10) Uani 1 1 d . . . . .
H17A H 0.466005 0.447491 0.380721 0.043 Uiso 1 1 calc R U . . .
H17B H 0.366560 0.476339 0.237760 0.043 Uiso 1 1 calc R U . . .
H17C H 0.439339 0.539490 0.350654 0.043 Uiso 1 1 calc R U . . .
C18 C 0.5581(4) 0.4024(2) 0.1795(4) 0.0249(9) Uani 1 1 d . . . . .
H18A H 0.622839 0.399191 0.146278 0.037 Uiso 1 1 calc R U . . .
H18B H 0.470248 0.401685 0.106443 0.037 Uiso 1 1 calc R U . . .
H18C H 0.568526 0.357263 0.236389 0.037 Uiso 1 1 calc R U . . .
P2 P 0.77381(9) 0.57286(6) 0.59645(10) 0.0235(2) Uani 1 1 d . . . . .
C21 C 0.6215(4) 0.6251(2) 0.5546(4) 0.0242(8) Uani 1 1 d . . . . .
C22 C 0.5369(4) 0.6070(3) 0.6071(5) 0.0302(9) Uani 1 1 d . . . . .
H22 H 0.556804 0.564682 0.666950 0.036 Uiso 1 1 calc R U . . .
C23 C 0.4235(4) 0.6503(3) 0.5725(5) 0.0372(11) Uani 1 1 d . . . . .
H23 H 0.366758 0.637871 0.609406 0.045 Uiso 1 1 calc R U . . .
C24 C 0.3931(4) 0.7115(3) 0.4846(5) 0.0390(12) Uani 1 1 d . . . . .
H24 H 0.314721 0.740392 0.460107 0.047 Uiso 1 1 calc R U . . .
C25 C 0.4765(5) 0.7306(3) 0.4324(5) 0.0369(11) Uani 1 1 d . . . . .
H25 H 0.456674 0.773614 0.373775 0.044 Uiso 1 1 calc R U . . .
C26 C 0.5894(4) 0.6871(3) 0.4654(4) 0.0283(9) Uani 1 1 d . . . . .
H26 H 0.645127 0.699493 0.427263 0.034 Uiso 1 1 calc R U . . .
C27 C 0.8931(4) 0.6516(3) 0.6659(6) 0.0429(13) Uani 1 1 d . . . . .
H27A H 0.981067 0.629146 0.706569 0.064 Uiso 1 1 calc R U . . .
H27B H 0.877154 0.679876 0.731480 0.064 Uiso 1 1 calc R U . . .
H27C H 0.885113 0.688197 0.596937 0.064 Uiso 1 1 calc R U . . .
C28 C 0.8000(5) 0.5135(5) 0.7361(5) 0.0515(15) Uani 1 1 d . . . . .
H28A H 0.735957 0.470764 0.709288 0.077 Uiso 1 1 calc R U . . .
H28B H 0.790122 0.546357 0.801056 0.077 Uiso 1 1 calc R U . . .
H28C H 0.888178 0.491338 0.773851 0.077 Uiso 1 1 calc R U . . .
P3 P 1.00270(9) 0.45176(6) 0.22200(10) 0.0168(2) Uani 1 1 d . . . . .
C311 C 1.1062(4) 0.3918(2) 0.1743(4) 0.0190(8) Uani 1 1 d . . . . .
C312 C 1.2010(4) 0.3432(2) 0.2628(4) 0.0207(8) Uani 1 1 d . . . . .
H312 H 1.214542 0.341893 0.350406 0.025 Uiso 1 1 calc R U . . .
C313 C 1.2769(4) 0.2959(3) 0.2248(5) 0.0275(9) Uani 1 1 d . . . . .
H313 H 1.342763 0.263237 0.286705 0.033 Uiso 1 1 calc R U . . .
C314 C 1.2564(4) 0.2965(3) 0.0977(5) 0.0278(9) Uani 1 1 d . . . . .
H314 H 1.307364 0.263835 0.071550 0.033 Uiso 1 1 calc R U . . .
C315 C 1.1613(4) 0.3449(3) 0.0077(4) 0.0312(10) Uani 1 1 d . . . . .
H315 H 1.147952 0.345720 -0.079844 0.037 Uiso 1 1 calc R U . . .
C316 C 1.0862(4) 0.3917(3) 0.0451(4) 0.0267(9) Uani 1 1 d . . . . .
H316 H 1.020318 0.424230 -0.017261 0.032 Uiso 1 1 calc R U . . .
C321 C 1.0381(4) 0.5538(2) 0.2002(4) 0.0224(9) Uani 1 1 d . . . . .
C322 C 1.1106(4) 0.5754(3) 0.1359(5) 0.0292(9) Uani 1 1 d . . . . .
H322 H 1.144268 0.535736 0.101147 0.035 Uiso 1 1 calc R U . . .
C323 C 1.1342(5) 0.6536(3) 0.1218(6) 0.0399(12) Uani 1 1 d . . . . .
H323 H 1.184677 0.667501 0.078464 0.048 Uiso 1 1 calc R U . . .
C324 C 1.0844(5) 0.7121(3) 0.1709(5) 0.0382(11) Uani 1 1 d . . . . .
H324 H 1.099947 0.765963 0.160825 0.046 Uiso 1 1 calc R U . . .
C325 C 1.0125(5) 0.6911(3) 0.2342(5) 0.0349(10) Uani 1 1 d . . . . .
H325 H 0.978216 0.731100 0.267678 0.042 Uiso 1 1 calc R U . . .
C326 C 0.9890(4) 0.6130(3) 0.2501(4) 0.0262(9) Uani 1 1 d . . . . .
H326 H 0.939663 0.599631 0.294758 0.031 Uiso 1 1 calc R U . . .
C331 C 0.8421(3) 0.4346(2) 0.0837(4) 0.0208(8) Uani 1 1 d . . . . .
C332 C 0.7524(3) 0.4952(3) 0.0317(4) 0.0234(8) Uani 1 1 d . . . . .
H332 H 0.774562 0.546871 0.066299 0.028 Uiso 1 1 calc R U . . .
C333 C 0.6300(4) 0.4806(3) -0.0710(4) 0.0265(9) Uani 1 1 d . . . . .
H333 H 0.568642 0.522227 -0.105668 0.032 Uiso 1 1 calc R U . . .
C334 C 0.5974(4) 0.4059(3) -0.1227(4) 0.0303(10) Uani 1 1 d . . . . .
H334 H 0.514245 0.396273 -0.193592 0.036 Uiso 1 1 calc R U . . .
C335 C 0.6861(4) 0.3450(3) -0.0709(4) 0.0298(9) Uani 1 1 d . . . . .
H335 H 0.663853 0.293373 -0.105841 0.036 Uiso 1 1 calc R U . . .
C336 C 0.8077(4) 0.3595(3) 0.0321(4) 0.0259(9) Uani 1 1 d . . . . .
H336 H 0.868188 0.317582 0.067794 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Pt1 Ru1 2.9152(3) . ?
Pt1 H1 1.65(6) . ?
Pt1 B2 2.032(4) . ?
Pt1 P1 2.3397(9) . ?
Pt1 P2 2.2426(10) . ?
Ru1 H1 1.93(6) . ?
Ru1 B2 2.091(4) . ?
Ru1 B3 2.183(5) . ?
Ru1 B4 2.191(4) . ?
Ru1 B5 2.412(5) . ?
Ru1 B6 2.424(4) . ?
Ru1 B7 2.438(4) . ?
Ru1 C1 1.950(4) . ?
Ru1 P3 2.4169(10) . ?
B2 B5 1.757(6) . ?
B2 B7 1.745(6) . ?
B2 B8 1.733(6) . ?
B3 H3 1.21(5) . ?
B3 B5 1.734(6) . ?
B3 B6 1.729(7) . ?
B3 B9 1.742(7) . ?
B4 H4 1.12(5) . ?
B4 B6 1.729(7) . ?
B4 B7 1.733(6) . ?
B4 B10 1.747(7) . ?
B5 H5 1.05(5) . ?
B5 B8 1.804(7) . ?
B5 B9 1.790(6) . ?
B6 H6 1.10(5) . ?
B6 B9 1.816(7) . ?
B6 B10 1.817(7) . ?
B7 H7 1.06(5) . ?
B7 B8 1.806(6) . ?
B7 B10 1.782(6) . ?
B8 H8 1.10(5) . ?
B8 B9 1.806(6) . ?
B8 B10 1.798(6) . ?
B9 H9 1.12(5) . ?
B9 B10 1.801(7) . ?
B10 H10 1.06(5) . ?
C1 O1 1.135(6) . ?
P1 C11 1.821(4) . ?
P1 C17 1.823(4) . ?
P1 C18 1.822(4) . ?
C11 C12 1.398(6) . ?
C11 C16 1.399(6) . ?
C12 H12 0.950 . ?
C12 C13 1.380(7) . ?
C13 H13 0.950 . ?
C13 C14 1.388(7) . ?
C14 H14 0.950 . ?
C14 C15 1.374(8) . ?
C15 H15 0.950 . ?
C15 C16 1.388(7) . ?
C16 H16 0.950 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.980 . ?
C18 H18B 0.980 . ?
C18 H18C 0.980 . ?
P2 C21 1.823(4) . ?
P2 C27 1.822(5) . ?
P2 C28 1.806(5) . ?
C21 C22 1.392(6) . ?
C21 C26 1.400(6) . ?
C22 H22 0.950 . ?
C22 C23 1.389(7) . ?
C23 H23 0.950 . ?
C23 C24 1.381(8) . ?
C24 H24 0.950 . ?
C24 C25 1.382(8) . ?
C25 H25 0.950 . ?
C25 C26 1.388(7) . ?
C26 H26 0.950 . ?
C27 H27A 0.980 . ?
C27 H27B 0.980 . ?
C27 H27C 0.980 . ?
C28 H28A 0.980 . ?
C28 H28B 0.980 . ?
C28 H28C 0.980 . ?
P3 C311 1.829(4) . ?
P3 C321 1.824(4) . ?
P3 C331 1.838(4) . ?
C311 C312 1.381(6) . ?
C311 C316 1.400(6) . ?
C312 H312 0.950 . ?
C312 C313 1.394(6) . ?
C313 H313 0.950 . ?
C313 C314 1.375(7) . ?
C314 H314 0.950 . ?
C314 C315 1.386(7) . ?
C315 H315 0.950 . ?
C315 C316 1.379(6) . ?
C316 H316 0.950 . ?
C321 C322 1.392(6) . ?
C321 C326 1.398(6) . ?
C322 H322 0.950 . ?
C322 C323 1.382(7) . ?
C323 H323 0.950 . ?
C323 C324 1.387(8) . ?
C324 H324 0.950 . ?
C324 C325 1.374(7) . ?
C325 H325 0.950 . ?
C325 C326 1.383(6) . ?
C326 H326 0.950 . ?
C331 C332 1.387(6) . ?
C331 C336 1.387(6) . ?
C332 H332 0.950 . ?
C332 C333 1.392(6) . ?
C333 H333 0.950 . ?
C333 C334 1.380(7) . ?
C334 H334 0.950 . ?
C334 C335 1.385(7) . ?
C335 H335 0.950 . ?
C335 C336 1.388(6) . ?
C336 H336 0.950 . ?

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
Ru1 Pt1 H1 39(2) . . ?
Ru1 Pt1 B2 45.83(12) . . ?
Ru1 Pt1 P1 120.94(3) . . ?
Ru1 Pt1 P2 133.14(3) . . ?
H1 Pt1 B2 85(2) . . ?
H1 Pt1 P1 83(2) . . ?
H1 Pt1 P2 172(2) . . ?
B2 Pt1 P1 165.80(12) . . ?
B2 Pt1 P2 87.36(12) . . ?
P1 Pt1 P2 105.36(3) . . ?
Pt1 Ru1 H1 32.5(19) . . ?
Pt1 Ru1 B2 44.18(11) . . ?
Pt1 Ru1 B3 116.71(12) . . ?
Pt1 Ru1 B4 119.65(12) . . ?
Pt1 Ru1 B5 75.19(10) . . ?
Pt1 Ru1 B6 138.48(11) . . ?
Pt1 Ru1 B7 77.84(10) . . ?
Pt1 Ru1 C1 98.57(12) . . ?
Pt1 Ru1 P3 106.43(2) . . ?
H1 Ru1 B2 76.6(19) . . ?
H1 Ru1 B3 134.8(18) . . ?
H1 Ru1 B4 133.7(18) . . ?
H1 Ru1 B5 102.9(19) . . ?
H1 Ru1 B6 170.9(19) . . ?
H1 Ru1 B7 102.5(18) . . ?
H1 Ru1 C1 78.5(18) . . ?
H1 Ru1 P3 80.4(19) . . ?
B2 Ru1 B3 87.65(18) . . ?
B2 Ru1 B4 86.71(17) . . ?
B2 Ru1 B5 45.24(16) . . ?
B2 Ru1 B6 94.41(17) . . ?
B2 Ru1 B7 44.50(15) . . ?
B2 Ru1 C1 126.32(17) . . ?
B2 Ru1 P3 132.24(12) . . ?
B3 Ru1 B4 86.07(17) . . ?
B3 Ru1 B5 43.98(16) . . ?
B3 Ru1 B6 43.69(17) . . ?
B3 Ru1 B7 94.30(17) . . ?
B3 Ru1 C1 77.69(18) . . ?
B3 Ru1 P3 136.00(13) . . ?
B4 Ru1 B5 94.31(16) . . ?
B4 Ru1 B6 43.64(17) . . ?
B4 Ru1 B7 43.57(15) . . ?
B4 Ru1 C1 141.73(17) . . ?
B4 Ru1 P3 79.83(12) . . ?
B5 Ru1 B6 70.25(16) . . ?
B5 Ru1 B7 71.46(16) . . ?
B5 Ru1 C1 97.36(17) . . ?
B5 Ru1 P3 173.98(12) . . ?
B6 Ru1 B7 69.96(16) . . ?
B6 Ru1 C1 107.89(17) . . ?
B6 Ru1 P3 105.83(12) . . ?
B7 Ru1 C1 168.77(16) . . ?
B7 Ru1 P3 103.04(11) . . ?
C1 Ru1 P3 88.17(13) . . ?
Pt1 B2 Ru1 89.98(17) . . ?
Pt1 B2 B5 119.4(3) . . ?
Pt1 B2 B7 127.1(3) . . ?
Pt1 B2 B8 162.6(3) . . ?
Ru1 B2 B5 77.1(2) . . ?
Ru1 B2 B7 78.3(2) . . ?
Ru1 B2 B8 106.9(2) . . ?
B5 B2 B7 107.9(3) . . ?
B5 B2 B8 62.3(3) . . ?
B7 B2 B8 62.6(3) . . ?
Ru1 B3 H3 125(3) . . ?
Ru1 B3 B5 75.0(2) . . ?
Ru1 B3 B6 75.6(2) . . ?
Ru1 B3 B9 104.0(3) . . ?
H3 B3 B5 128(2) . . ?
H3 B3 B6 124(2) . . ?
H3 B3 B9 131(3) . . ?
B5 B3 B6 106.9(4) . . ?
B5 B3 B9 62.0(3) . . ?
B6 B3 B9 63.1(3) . . ?
Ru1 B4 H4 130(2) . . ?
Ru1 B4 B6 75.4(2) . . ?
Ru1 B4 B7 75.8(2) . . ?
Ru1 B4 B10 103.7(3) . . ?
H4 B4 B6 126(3) . . ?
H4 B4 B7 124(3) . . ?
H4 B4 B10 126(2) . . ?
B6 B4 B7 107.2(3) . . ?
B6 B4 B10 63.0(3) . . ?
B7 B4 B10 61.6(3) . . ?
Ru1 B5 B2 57.69(19) . . ?
Ru1 B5 B3 61.0(2) . . ?
Ru1 B5 H5 130(3) . . ?
Ru1 B5 B8 92.7(2) . . ?
Ru1 B5 B9 94.1(2) . . ?
B2 B5 B3 116.0(3) . . ?
B2 B5 H5 117(3) . . ?
B2 B5 B8 58.2(3) . . ?
B2 B5 B9 108.8(3) . . ?
B3 B5 H5 115(3) . . ?
B3 B5 B8 110.2(3) . . ?
B3 B5 B9 59.2(3) . . ?
H5 B5 B8 129(3) . . ?
H5 B5 B9 128(3) . . ?
B8 B5 B9 60.3(2) . . ?
Ru1 B6 B3 60.7(2) . . ?
Ru1 B6 B4 60.99(19) . . ?
Ru1 B6 H6 133(3) . . ?
Ru1 B6 B9 93.0(2) . . ?
Ru1 B6 B10 93.1(2) . . ?
B3 B6 B4 119.4(3) . . ?
B3 B6 H6 116(3) . . ?
B3 B6 B9 58.8(3) . . ?
B3 B6 B10 109.7(3) . . ?
B4 B6 H6 115(3) . . ?
B4 B6 B9 109.9(3) . . ?
B4 B6 B10 59.0(3) . . ?
H6 B6 B9 127(3) . . ?
H6 B6 B10 127(3) . . ?
B9 B6 B10 59.4(3) . . ?
Ru1 B7 B2 57.16(18) . . ?
Ru1 B7 B4 60.6(2) . . ?
Ru1 B7 H7 131(3) . . ?
Ru1 B7 B8 91.8(2) . . ?
Ru1 B7 B10 93.6(2) . . ?
B2 B7 B4 115.5(3) . . ?
B2 B7 H7 115(2) . . ?
B2 B7 B8 58.4(2) . . ?
B2 B7 B10 108.8(3) . . ?
B4 B7 H7 117(2) . . ?
B4 B7 B8 110.0(3) . . ?
B4 B7 B10 59.6(3) . . ?
H7 B7 B8 127(3) . . ?
H7 B7 B10 129(2) . . ?
B8 B7 B10 60.1(2) . . ?
B2 B8 B5 59.5(3) . . ?
B2 B8 B7 59.0(2) . . ?
B2 B8 H8 121(2) . . ?
B2 B8 B9 109.1(3) . . ?
B2 B8 B10 108.6(3) . . ?
B5 B8 B7 103.3(3) . . ?
B5 B8 H8 121(3) . . ?
B5 B8 B9 59.4(2) . . ?
B5 B8 B10 105.8(3) . . ?
B7 B8 H8 128(3) . . ?
B7 B8 B9 106.0(3) . . ?
B7 B8 B10 59.3(2) . . ?
H8 B8 B9 119(3) . . ?
H8 B8 B10 124(2) . . ?
B9 B8 B10 60.0(3) . . ?
B3 B9 B5 58.8(3) . . ?
B3 B9 B6 58.1(3) . . ?
B3 B9 B8 109.7(3) . . ?
B3 B9 H9 125(3) . . ?
B3 B9 B10 109.9(3) . . ?
B5 B9 B6 101.0(3) . . ?
B5 B9 B8 60.2(2) . . ?
B5 B9 H9 129(3) . . ?
B5 B9 B10 106.3(3) . . ?
B6 B9 B8 105.4(3) . . ?
B6 B9 H9 124(3) . . ?
B6 B9 B10 60.3(3) . . ?
B8 B9 H9 119(3) . . ?
B8 B9 B10 59.8(3) . . ?
H9 B9 B10 115(3) . . ?
B4 B10 B6 58.0(3) . . ?
B4 B10 B7 58.8(2) . . ?
B4 B10 B8 109.8(3) . . ?
B4 B10 B9 109.8(3) . . ?
B4 B10 H10 121(2) . . ?
B6 B10 B7 101.5(3) . . ?
B6 B10 B8 105.7(3) . . ?
B6 B10 B9 60.3(3) . . ?
B6 B10 H10 122(3) . . ?
B7 B10 B8 60.6(2) . . ?
B7 B10 B9 107.2(3) . . ?
B7 B10 H10 128(3) . . ?
B8 B10 B9 60.2(2) . . ?
B8 B10 H10 123(2) . . ?
B9 B10 H10 118(3) . . ?
Ru1 C1 O1 176.8(4) . . ?
Pt1 P1 C11 115.78(13) . . ?
Pt1 P1 C17 117.71(15) . . ?
Pt1 P1 C18 112.15(14) . . ?
C11 P1 C17 102.85(19) . . ?
C11 P1 C18 105.0(2) . . ?
C17 P1 C18 101.6(2) . . ?
P1 C11 C12 122.9(3) . . ?
P1 C11 C16 118.4(3) . . ?
C12 C11 C16 118.7(4) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(4) . . ?
H12 C12 C13 119.6 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.9(4) . . ?
H13 C13 C14 120.1 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(4) . . ?
H14 C14 C15 120.0 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.6(4) . . ?
H15 C15 C16 119.7 . . ?
C11 C16 C15 120.0(4) . . ?
C11 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
P1 C17 H17A 109.5 . . ?
P1 C17 H17B 109.5 . . ?
P1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Pt1 P2 C21 118.21(14) . . ?
Pt1 P2 C27 113.82(18) . . ?
Pt1 P2 C28 113.1(2) . . ?
C21 P2 C27 101.6(2) . . ?
C21 P2 C28 105.2(2) . . ?
C27 P2 C28 103.2(3) . . ?
P2 C21 C22 123.6(3) . . ?
P2 C21 C26 117.7(3) . . ?
C22 C21 C26 118.8(4) . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(4) . . ?
H22 C22 C23 119.8 . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.2(4) . . ?
H23 C23 C24 119.9 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0(4) . . ?
H24 C24 C25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.1(5) . . ?
H25 C25 C26 120.0 . . ?
C21 C26 C25 120.4(4) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
P2 C27 H27A 109.5 . . ?
P2 C27 H27B 109.5 . . ?
P2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
P2 C28 H28A 109.5 . . ?
P2 C28 H28B 109.5 . . ?
P2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Ru1 P3 C311 116.05(13) . . ?
Ru1 P3 C321 115.82(15) . . ?
Ru1 P3 C331 113.33(13) . . ?
C311 P3 C321 105.79(17) . . ?
C311 P3 C331 100.72(18) . . ?
C321 P3 C331 103.32(19) . . ?
P3 C311 C312 120.9(3) . . ?
P3 C311 C316 120.2(3) . . ?
C312 C311 C316 118.8(4) . . ?
C311 C312 H312 119.7 . . ?
C311 C312 C313 120.6(4) . . ?
H312 C312 C313 119.7 . . ?
C312 C313 H313 120.0 . . ?
C312 C313 C314 120.0(4) . . ?
H313 C313 C314 120.0 . . ?
C313 C314 H314 120.0 . . ?
C313 C314 C315 120.0(4) . . ?
H314 C314 C315 120.0 . . ?
C314 C315 H315 119.9 . . ?
C314 C315 C316 120.1(4) . . ?
H315 C315 C316 119.9 . . ?
C311 C316 C315 120.5(4) . . ?
C311 C316 H316 119.8 . . ?
C315 C316 H316 119.8 . . ?
P3 C321 C322 123.2(3) . . ?
P3 C321 C326 118.1(3) . . ?
C322 C321 C326 118.7(4) . . ?
C321 C322 H322 119.6 . . ?
C321 C322 C323 120.8(4) . . ?
H322 C322 C323 119.6 . . ?
C322 C323 H323 119.9 . . ?
C322 C323 C324 120.1(4) . . ?
H323 C323 C324 119.9 . . ?
C323 C324 H324 120.3 . . ?
C323 C324 C325 119.3(4) . . ?
H324 C324 C325 120.3 . . ?
C324 C325 H325 119.4 . . ?
C324 C325 C326 121.3(4) . . ?
H325 C325 C326 119.4 . . ?
C321 C326 C325 119.8(4) . . ?
C321 C326 H326 120.1 . . ?
C325 C326 H326 120.1 . . ?
P3 C331 C332 121.1(3) . . ?
P3 C331 C336 119.8(3) . . ?
C332 C331 C336 119.0(4) . . ?
C331 C332 H332 119.9 . . ?
C331 C332 C333 120.2(4) . . ?
H332 C332 C333 119.9 . . ?
C332 C333 H333 119.9 . . ?
C332 C333 C334 120.3(4) . . ?
H333 C333 C334 119.9 . . ?
C333 C334 H334 120.1 . . ?
C333 C334 C335 119.9(4) . . ?
H334 C334 C335 120.1 . . ?
C334 C335 H335 120.1 . . ?
C334 C335 C336 119.8(4) . . ?
H335 C335 C336 120.1 . . ?
C331 C336 C335 120.9(4) . . ?
C331 C336 H336 119.6 . . ?
C335 C336 H336 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 B3 B5 B2 -18.0(3) . . . . ?
Ru1 B3 B5 B8 -81.6(3) . . . . ?
Ru1 B3 B5 B9 -115.2(3) . . . . ?
B6 B3 B5 Ru1 69.5(3) . . . . ?
B6 B3 B5 B2 51.5(4) . . . . ?
B6 B3 B5 B8 -12.1(4) . . . . ?
B6 B3 B5 B9 -45.7(3) . . . . ?
B9 B3 B5 Ru1 115.2(3) . . . . ?
B9 B3 B5 B2 97.2(4) . . . . ?
B9 B3 B5 B8 33.6(3) . . . . ?
Pt1 B2 B5 Ru1 82.5(2) . . . . ?
Pt1 B2 B5 B3 101.2(4) . . . . ?
Pt1 B2 B5 B8 -160.3(3) . . . . ?
Pt1 B2 B5 B9 165.4(3) . . . . ?
Ru1 B2 B5 B3 18.6(3) . . . . ?
Ru1 B2 B5 B8 117.2(2) . . . . ?
Ru1 B2 B5 B9 82.8(3) . . . . ?
B7 B2 B5 Ru1 -73.0(2) . . . . ?
B7 B2 B5 B3 -54.4(5) . . . . ?
B7 B2 B5 B8 44.2(3) . . . . ?
B7 B2 B5 B9 9.8(4) . . . . ?
B8 B2 B5 Ru1 -117.2(2) . . . . ?
B8 B2 B5 B3 -98.6(4) . . . . ?
B8 B2 B5 B9 -34.4(3) . . . . ?
Ru1 B3 B6 B4 17.6(3) . . . . ?
Ru1 B3 B6 B9 114.2(2) . . . . ?
Ru1 B3 B6 B10 82.3(3) . . . . ?
B5 B3 B6 Ru1 -69.1(3) . . . . ?
B5 B3 B6 B4 -51.5(5) . . . . ?
B5 B3 B6 B9 45.2(3) . . . . ?
B5 B3 B6 B10 13.2(4) . . . . ?
B9 B3 B6 Ru1 -114.2(2) . . . . ?
B9 B3 B6 B4 -96.7(4) . . . . ?
B9 B3 B6 B10 -31.9(3) . . . . ?
Ru1 B4 B6 B3 -17.5(3) . . . . ?
Ru1 B4 B6 B9 -82.1(3) . . . . ?
Ru1 B4 B6 B10 -114.0(2) . . . . ?
B7 B4 B6 Ru1 69.7(2) . . . . ?
B7 B4 B6 B3 52.2(5) . . . . ?
B7 B4 B6 B9 -12.4(4) . . . . ?
B7 B4 B6 B10 -44.3(3) . . . . ?
B10 B4 B6 Ru1 114.0(2) . . . . ?
B10 B4 B6 B3 96.5(4) . . . . ?
B10 B4 B6 B9 31.8(3) . . . . ?
Ru1 B4 B7 B2 16.8(3) . . . . ?
Ru1 B4 B7 B8 80.4(3) . . . . ?
Ru1 B4 B7 B10 114.4(2) . . . . ?
B6 B4 B7 Ru1 -69.4(3) . . . . ?
B6 B4 B7 B2 -52.7(4) . . . . ?
B6 B4 B7 B8 10.9(4) . . . . ?
B6 B4 B7 B10 45.0(3) . . . . ?
B10 B4 B7 Ru1 -114.4(2) . . . . ?
B10 B4 B7 B2 -97.7(4) . . . . ?
B10 B4 B7 B8 -34.1(3) . . . . ?
Pt1 B2 B7 Ru1 -81.0(3) . . . . ?
Pt1 B2 B7 B4 -98.4(4) . . . . ?
Pt1 B2 B7 B8 162.9(4) . . . . ?
Pt1 B2 B7 B10 -162.9(3) . . . . ?
Ru1 B2 B7 B4 -17.4(3) . . . . ?
Ru1 B2 B7 B8 -116.1(2) . . . . ?
Ru1 B2 B7 B10 -81.9(3) . . . . ?
B5 B2 B7 Ru1 72.1(3) . . . . ?
B5 B2 B7 B4 54.7(4) . . . . ?
B5 B2 B7 B8 -44.0(3) . . . . ?
B5 B2 B7 B10 -9.8(4) . . . . ?
B8 B2 B7 Ru1 116.1(2) . . . . ?
B8 B2 B7 B4 98.7(4) . . . . ?
B8 B2 B7 B10 34.2(3) . . . . ?
Pt1 B2 B8 B5 100.2(10) . . . . ?
Pt1 B2 B8 B7 -128.1(10) . . . . ?
Pt1 B2 B8 B9 134.3(9) . . . . ?
Pt1 B2 B8 B10 -162.0(9) . . . . ?
Ru1 B2 B8 B5 -64.9(2) . . . . ?
Ru1 B2 B8 B7 66.7(2) . . . . ?
Ru1 B2 B8 B9 -30.9(4) . . . . ?
Ru1 B2 B8 B10 32.9(4) . . . . ?
B5 B2 B8 B7 131.7(3) . . . . ?
B5 B2 B8 B9 34.1(3) . . . . ?
B5 B2 B8 B10 97.8(3) . . . . ?
B7 B2 B8 B5 -131.7(3) . . . . ?
B7 B2 B8 B9 -97.6(3) . . . . ?
B7 B2 B8 B10 -33.9(3) . . . . ?
Ru1 B5 B8 B2 48.8(2) . . . . ?
Ru1 B5 B8 B7 7.7(3) . . . . ?
Ru1 B5 B8 B9 -93.2(2) . . . . ?
Ru1 B5 B8 B10 -53.7(3) . . . . ?
B2 B5 B8 B7 -41.2(3) . . . . ?
B2 B5 B8 B9 -142.0(3) . . . . ?
B2 B5 B8 B10 -102.6(3) . . . . ?
B3 B5 B8 B2 108.8(4) . . . . ?
B3 B5 B8 B7 67.7(4) . . . . ?
B3 B5 B8 B9 -33.2(3) . . . . ?
B3 B5 B8 B10 6.3(4) . . . . ?
B9 B5 B8 B2 142.0(3) . . . . ?
B9 B5 B8 B7 100.9(3) . . . . ?
B9 B5 B8 B10 39.5(3) . . . . ?
Ru1 B7 B8 B2 -49.0(2) . . . . ?
Ru1 B7 B8 B5 -7.6(3) . . . . ?
Ru1 B7 B8 B9 54.0(3) . . . . ?
Ru1 B7 B8 B10 93.1(2) . . . . ?
B2 B7 B8 B5 41.4(3) . . . . ?
B2 B7 B8 B9 103.0(3) . . . . ?
B2 B7 B8 B10 142.1(3) . . . . ?
B4 B7 B8 B2 -108.2(3) . . . . ?
B4 B7 B8 B5 -66.8(3) . . . . ?
B4 B7 B8 B9 -5.2(4) . . . . ?
B4 B7 B8 B10 33.9(3) . . . . ?
B10 B7 B8 B2 -142.1(3) . . . . ?
B10 B7 B8 B5 -100.7(3) . . . . ?
B10 B7 B8 B9 -39.1(3) . . . . ?
Ru1 B3 B9 B5 64.3(2) . . . . ?
Ru1 B3 B9 B6 -65.5(2) . . . . ?
Ru1 B3 B9 B8 30.8(4) . . . . ?
Ru1 B3 B9 B10 -33.2(3) . . . . ?
B5 B3 B9 B6 -129.8(3) . . . . ?
B5 B3 B9 B8 -33.5(3) . . . . ?
B5 B3 B9 B10 -97.5(3) . . . . ?
B6 B3 B9 B5 129.8(3) . . . . ?
B6 B3 B9 B8 96.3(3) . . . . ?
B6 B3 B9 B10 32.3(3) . . . . ?
Ru1 B5 B9 B3 -52.5(2) . . . . ?
Ru1 B5 B9 B6 -10.9(3) . . . . ?
Ru1 B5 B9 B8 90.7(2) . . . . ?
Ru1 B5 B9 B10 51.2(3) . . . . ?
B2 B5 B9 B3 -109.7(4) . . . . ?
B2 B5 B9 B6 -68.1(4) . . . . ?
B2 B5 B9 B8 33.5(3) . . . . ?
B2 B5 B9 B10 -6.0(4) . . . . ?
B3 B5 B9 B6 41.6(3) . . . . ?
B3 B5 B9 B8 143.2(3) . . . . ?
B3 B5 B9 B10 103.7(4) . . . . ?
B8 B5 B9 B3 -143.2(3) . . . . ?
B8 B5 B9 B6 -101.6(3) . . . . ?
B8 B5 B9 B10 -39.5(3) . . . . ?
B2 B8 B9 B3 -1.2(4) . . . . ?
B2 B8 B9 B5 -34.1(3) . . . . ?
B2 B8 B9 B6 59.9(4) . . . . ?
B2 B8 B9 B10 100.9(3) . . . . ?
B5 B8 B9 B3 32.9(3) . . . . ?
B5 B8 B9 B6 94.0(3) . . . . ?
B5 B8 B9 B10 135.0(3) . . . . ?
B7 B8 B9 B3 -63.3(4) . . . . ?
B7 B8 B9 B5 -96.3(3) . . . . ?
B7 B8 B9 B6 -2.3(4) . . . . ?
B7 B8 B9 B10 38.8(3) . . . . ?
B10 B8 B9 B3 -102.1(4) . . . . ?
B10 B8 B9 B5 -135.0(3) . . . . ?
B10 B8 B9 B6 -41.0(3) . . . . ?
Ru1 B6 B9 B3 52.8(2) . . . . ?
Ru1 B6 B9 B5 10.8(3) . . . . ?
Ru1 B6 B9 B8 -51.1(3) . . . . ?
Ru1 B6 B9 B10 -91.8(2) . . . . ?
B3 B6 B9 B5 -42.0(3) . . . . ?
B3 B6 B9 B8 -103.9(3) . . . . ?
B3 B6 B9 B10 -144.7(3) . . . . ?
B4 B6 B9 B3 113.0(4) . . . . ?
B4 B6 B9 B5 71.0(4) . . . . ?
B4 B6 B9 B8 9.1(4) . . . . ?
B4 B6 B9 B10 -31.7(3) . . . . ?
B10 B6 B9 B3 144.7(3) . . . . ?
B10 B6 B9 B5 102.6(3) . . . . ?
B10 B6 B9 B8 40.8(3) . . . . ?
Ru1 B4 B10 B6 65.5(2) . . . . ?
Ru1 B4 B10 B7 -65.3(2) . . . . ?
Ru1 B4 B10 B8 -31.1(3) . . . . ?
Ru1 B4 B10 B9 33.3(3) . . . . ?
B6 B4 B10 B7 -130.8(3) . . . . ?
B6 B4 B10 B8 -96.6(3) . . . . ?
B6 B4 B10 B9 -32.1(3) . . . . ?
B7 B4 B10 B6 130.8(3) . . . . ?
B7 B4 B10 B8 34.2(3) . . . . ?
B7 B4 B10 B9 98.6(3) . . . . ?
Ru1 B7 B10 B4 52.6(2) . . . . ?
Ru1 B7 B10 B6 11.7(3) . . . . ?
Ru1 B7 B10 B8 -90.0(2) . . . . ?
Ru1 B7 B10 B9 -50.5(3) . . . . ?
B2 B7 B10 B4 109.1(3) . . . . ?
B2 B7 B10 B6 68.1(4) . . . . ?
B2 B7 B10 B8 -33.5(3) . . . . ?
B2 B7 B10 B9 6.0(4) . . . . ?
B4 B7 B10 B6 -41.0(3) . . . . ?
B4 B7 B10 B8 -142.6(3) . . . . ?
B4 B7 B10 B9 -103.1(3) . . . . ?
B8 B7 B10 B4 142.6(3) . . . . ?
B8 B7 B10 B6 101.7(3) . . . . ?
B8 B7 B10 B9 39.5(3) . . . . ?
B2 B8 B10 B4 0.3(4) . . . . ?
B2 B8 B10 B6 -60.8(4) . . . . ?
B2 B8 B10 B7 33.8(3) . . . . ?
B2 B8 B10 B9 -101.8(3) . . . . ?
B5 B8 B10 B4 62.8(4) . . . . ?
B5 B8 B10 B6 1.8(4) . . . . ?
B5 B8 B10 B7 96.3(3) . . . . ?
B5 B8 B10 B9 -39.2(3) . . . . ?
B7 B8 B10 B4 -33.5(3) . . . . ?
B7 B8 B10 B6 -94.5(3) . . . . ?
B7 B8 B10 B9 -135.6(3) . . . . ?
B9 B8 B10 B4 102.1(4) . . . . ?
B9 B8 B10 B6 41.0(3) . . . . ?
B9 B8 B10 B7 135.6(3) . . . . ?
B3 B9 B10 B4 -0.2(4) . . . . ?
B3 B9 B10 B6 -31.5(3) . . . . ?
B3 B9 B10 B7 62.1(4) . . . . ?
B3 B9 B10 B8 101.8(3) . . . . ?
B5 B9 B10 B4 -62.3(4) . . . . ?
B5 B9 B10 B6 -93.5(3) . . . . ?
B5 B9 B10 B7 0.1(4) . . . . ?
B5 B9 B10 B8 39.7(3) . . . . ?
B6 B9 B10 B4 31.3(3) . . . . ?
B6 B9 B10 B7 93.6(3) . . . . ?
B6 B9 B10 B8 133.3(3) . . . . ?
B8 B9 B10 B4 -102.0(3) . . . . ?
B8 B9 B10 B6 -133.3(3) . . . . ?
B8 B9 B10 B7 -39.7(3) . . . . ?
Ru1 B6 B10 B4 -53.1(2) . . . . ?
Ru1 B6 B10 B7 -11.8(3) . . . . ?
Ru1 B6 B10 B8 50.6(3) . . . . ?
Ru1 B6 B10 B9 91.7(2) . . . . ?
B3 B6 B10 B4 -113.1(3) . . . . ?
B3 B6 B10 B7 -71.7(4) . . . . ?
B3 B6 B10 B8 -9.3(4) . . . . ?
B3 B6 B10 B9 31.7(3) . . . . ?
B4 B6 B10 B7 41.4(3) . . . . ?
B4 B6 B10 B8 103.8(3) . . . . ?
B4 B6 B10 B9 144.8(3) . . . . ?
B9 B6 B10 B4 -144.8(3) . . . . ?
B9 B6 B10 B7 -103.4(3) . . . . ?
B9 B6 B10 B8 -41.0(3) . . . . ?
Pt1 P1 C11 C12 172.2(3) . . . . ?
Pt1 P1 C11 C16 -8.3(4) . . . . ?
C17 P1 C11 C12 -58.0(4) . . . . ?
C17 P1 C11 C16 121.4(3) . . . . ?
C18 P1 C11 C12 48.0(4) . . . . ?
C18 P1 C11 C16 -132.6(3) . . . . ?
P1 C11 C12 C13 179.0(3) . . . . ?
C16 C11 C12 C13 -0.4(6) . . . . ?
C11 C12 C13 C14 -0.1(7) . . . . ?
C12 C13 C14 C15 0.2(7) . . . . ?
C13 C14 C15 C16 0.3(7) . . . . ?
C14 C15 C16 C11 -0.8(7) . . . . ?
P1 C11 C16 C15 -178.6(3) . . . . ?
C12 C11 C16 C15 0.8(6) . . . . ?
Pt1 P2 C21 C22 115.8(3) . . . . ?
Pt1 P2 C21 C26 -64.8(4) . . . . ?
C27 P2 C21 C22 -118.9(4) . . . . ?
C27 P2 C21 C26 60.5(4) . . . . ?
C28 P2 C21 C22 -11.6(5) . . . . ?
C28 P2 C21 C26 167.8(4) . . . . ?
P2 C21 C22 C23 178.8(4) . . . . ?
C26 C21 C22 C23 -0.7(7) . . . . ?
C21 C22 C23 C24 0.6(7) . . . . ?
C22 C23 C24 C25 -1.1(8) . . . . ?
C23 C24 C25 C26 1.7(8) . . . . ?
C24 C25 C26 C21 -1.9(7) . . . . ?
P2 C21 C26 C25 -178.1(4) . . . . ?
C22 C21 C26 C25 1.3(7) . . . . ?
Ru1 P3 C311 C312 -12.5(4) . . . . ?
Ru1 P3 C311 C316 164.4(3) . . . . ?
C321 P3 C311 C312 117.4(3) . . . . ?
C321 P3 C311 C316 -65.6(4) . . . . ?
C331 P3 C311 C312 -135.3(3) . . . . ?
C331 P3 C311 C316 41.7(4) . . . . ?
P3 C311 C312 C313 178.1(3) . . . . ?
C316 C311 C312 C313 1.1(6) . . . . ?
C311 C312 C313 C314 -1.0(6) . . . . ?
C312 C313 C314 C315 0.8(6) . . . . ?
C313 C314 C315 C316 -0.7(7) . . . . ?
C314 C315 C316 C311 0.9(7) . . . . ?
P3 C311 C316 C315 -178.1(3) . . . . ?
C312 C311 C316 C315 -1.1(6) . . . . ?
Ru1 P3 C321 C322 141.1(3) . . . . ?
Ru1 P3 C321 C326 -39.3(4) . . . . ?
C311 P3 C321 C322 11.0(4) . . . . ?
C311 P3 C321 C326 -169.4(3) . . . . ?
C331 P3 C321 C322 -94.4(4) . . . . ?
C331 P3 C321 C326 85.2(4) . . . . ?
P3 C321 C322 C323 179.8(4) . . . . ?
C326 C321 C322 C323 0.3(7) . . . . ?
C321 C322 C323 C324 -0.7(8) . . . . ?
C322 C323 C324 C325 0.5(8) . . . . ?
C323 C324 C325 C326 0.1(8) . . . . ?
C324 C325 C326 C321 -0.5(7) . . . . ?
P3 C321 C326 C325 -179.3(4) . . . . ?
C322 C321 C326 C325 0.3(6) . . . . ?
Ru1 P3 C331 C332 95.3(3) . . . . ?
Ru1 P3 C331 C336 -82.9(3) . . . . ?
C311 P3 C331 C332 -140.0(3) . . . . ?
C311 P3 C331 C336 41.8(4) . . . . ?
C321 P3 C331 C332 -30.8(4) . . . . ?
C321 P3 C331 C336 151.0(3) . . . . ?
P3 C331 C332 C333 -178.4(3) . . . . ?
C336 C331 C332 C333 -0.2(6) . . . . ?
C331 C332 C333 C334 -0.6(6) . . . . ?
C332 C333 C334 C335 0.9(6) . . . . ?
C333 C334 C335 C336 -0.4(7) . . . . ?
P3 C331 C336 C335 178.9(3) . . . . ?
C332 C331 C336 C335 0.7(6) . . . . ?
C334 C335 C336 C331 -0.4(7) . . . . ?

_refine_diff_density_max         0.343
_refine_diff_density_min         -0.306
_refine_diff_density_rms         0.051



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane and hexane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ewc190009
_database_code_depnum_ccdc_archive 'CCDC 2103313'
loop_
_audit_author_name
_audit_author_address
'Bill Clegg'
;Newcastle University
United Kingdom
;
_audit_update_record             
;
2021-10-22 deposited with the CCDC.	2021-11-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H43 B9 O Os P2,0.76 C H Cl3'
_chemical_formula_sum            'C37.77 H43.77 B9 Cl2.30 O Os P2'
_chemical_formula_weight         944.85

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'
B B 0.0090 0.0039 '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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9431(3)
_cell_length_b                   12.4326(3)
_cell_length_c                   15.0763(3)
_cell_angle_alpha                84.5650(17)
_cell_angle_beta                 78.068(2)
_cell_angle_gamma                71.413(2)
_cell_volume                     2074.98(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    24096
_cell_measurement_theta_min      3.70
_cell_measurement_theta_max      66.82

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_F_000             937
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    8.119
_shelx_estimated_absorpt_T_min   0.323
_shelx_estimated_absorpt_T_max   0.737
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_T_max  0.755
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.42b (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
   model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_diffrn_measurement_device_type  
'Oxford Diffraction Gemini A Ultra diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3968
_diffrn_reflns_number            57342
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.975
_diffrn_reflns_theta_max         66.905
_diffrn_reflns_theta_full        66.905
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             7334
_reflns_number_gt                6700
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.42b (Rigaku OD, 2015)'
_computing_structure_solution    SheLXT-2018/2
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'SHELXL and local programs'
_refine_special_details          
;There is a chloroform molecule which has been modelled as disordered
over three positions with refined occupancies adding up to a total of 1.
The chloroform geometry was restrained to give approximate C3v symmetry,
and the displacement parameters were restrained (SIMU and RIGU).,Solvent disordered over three orientations with total occupancy approximately 0.76
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0271P)²+3.0204P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7334
_refine_ls_number_parameters     613
_refine_ls_number_restraints     363
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0244
_refine_ls_wR_factor_ref         0.0586
_refine_ls_wR_factor_gt          0.0563
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
Os5 Os 0.76950(2) 0.40306(2) 0.78085(2) 0.01983(5) Uani 1 1 d . . . . .
B1 B 0.7472(4) 0.5933(3) 0.7597(3) 0.0280(8) Uani 1 1 d . . . . .
H1 H 0.687(3) 0.644(3) 0.814(2) 0.033(10) Uiso 1 1 d . . . . .
B2 B 0.8990(4) 0.5117(3) 0.7726(3) 0.0287(8) Uani 1 1 d . . . . .
H2 H 0.931(3) 0.519(3) 0.832(2) 0.027(9) Uiso 1 1 d . . . . .
B3 B 0.8724(4) 0.6342(3) 0.6983(3) 0.0320(9) Uani 1 1 d . . . . .
H3 H 0.902(3) 0.703(3) 0.717(3) 0.038(10) Uiso 1 1 d . . . . .
B4 B 0.7418(4) 0.6677(3) 0.6501(3) 0.0302(8) Uani 1 1 d . . . . .
H4 H 0.683(3) 0.771(3) 0.654(2) 0.036 Uiso 1 1 d . U . . .
B6 B 0.9597(3) 0.3868(3) 0.7118(2) 0.0249(8) Uani 1 1 d . . . . .
H6 H 1.038(3) 0.316(3) 0.719(2) 0.022(8) Uiso 1 1 d . . . . .
B7 B 0.9917(4) 0.5124(3) 0.6627(3) 0.0320(9) Uani 1 1 d . . . . .
H7 H 1.086(3) 0.515(3) 0.650(2) 0.035(10) Uiso 1 1 d . . . . .
B8 B 0.8877(4) 0.6123(3) 0.5834(3) 0.0329(9) Uani 1 1 d . . . . .
H8 H 0.936(4) 0.660(3) 0.528(3) 0.041(11) Uiso 1 1 d . . . . .
B9 B 0.7603(4) 0.5764(3) 0.5666(3) 0.0317(9) Uani 1 1 d . . . . .
H9 H 0.720(4) 0.593(3) 0.505(3) 0.041(11) Uiso 1 1 d . . . . .
B10 B 0.6820(4) 0.5507(3) 0.6798(3) 0.0253(8) Uani 1 1 d . . . . .
H10 H 0.588(3) 0.565(3) 0.681(2) 0.029(9) Uiso 1 1 d . . . . .
H56 H 0.866(4) 0.350(3) 0.691(3) 0.042(11) Uiso 1 1 d . . . . .
H67 H 0.986(4) 0.434(4) 0.625(3) 0.052(12) Uiso 1 1 d . . . . .
H89 H 0.873(3) 0.529(3) 0.547(2) 0.035(10) Uiso 1 1 d . . . . .
H910 H 0.739(3) 0.487(3) 0.616(3) 0.038(10) Uiso 1 1 d . . . . .
C1 C 0.6723(3) 0.4663(3) 0.8896(2) 0.0240(7) Uani 1 1 d . . . . .
O1 O 0.6231(2) 0.50952(19) 0.95704(16) 0.0331(5) Uani 1 1 d . . . . .
P1 P 0.85977(7) 0.24079(6) 0.86898(5) 0.01992(16) Uani 1 1 d . . . . .
C111 C 0.9926(3) 0.2476(3) 0.9087(2) 0.0224(6) Uani 1 1 d . . . . .
C112 C 1.1050(3) 0.1673(3) 0.8882(2) 0.0300(7) Uani 1 1 d . . . . .
H112 H 1.116102 0.106200 0.850562 0.036 Uiso 1 1 calc R U . . .
C113 C 1.2014(3) 0.1758(3) 0.9223(3) 0.0388(9) Uani 1 1 d . . . . .
H113 H 1.278059 0.120594 0.907643 0.047 Uiso 1 1 calc R U . . .
C114 C 1.1863(3) 0.2640(3) 0.9773(3) 0.0366(8) Uani 1 1 d . . . . .
H114 H 1.252206 0.269554 1.000695 0.044 Uiso 1 1 calc R U . . .
C115 C 1.0744(3) 0.3444(3) 0.9982(2) 0.0328(8) Uani 1 1 d . . . . .
H115 H 1.063523 0.405050 1.036214 0.039 Uiso 1 1 calc R U . . .
C116 C 0.9786(3) 0.3369(3) 0.9641(2) 0.0264(7) Uani 1 1 d . . . . .
H116 H 0.902388 0.392836 0.978304 0.032 Uiso 1 1 calc R U . . .
C121 C 0.9141(3) 0.1005(2) 0.8181(2) 0.0218(6) Uani 1 1 d . . . . .
C122 C 0.9850(3) 0.0867(3) 0.7316(2) 0.0272(7) Uani 1 1 d . . . . .
H122 H 1.000654 0.150752 0.698249 0.033 Uiso 1 1 calc R U . . .
C123 C 1.0331(3) -0.0195(3) 0.6937(2) 0.0319(8) Uani 1 1 d . . . . .
H123 H 1.082323 -0.028198 0.635034 0.038 Uiso 1 1 calc R U . . .
C124 C 1.0090(3) -0.1129(3) 0.7417(2) 0.0322(8) Uani 1 1 d . . . . .
H124 H 1.042098 -0.185815 0.715961 0.039 Uiso 1 1 calc R U . . .
C125 C 0.9371(3) -0.1003(3) 0.8265(2) 0.0300(7) Uani 1 1 d . . . . .
H125 H 0.919461 -0.164166 0.858775 0.036 Uiso 1 1 calc R U . . .
C126 C 0.8903(3) 0.0059(3) 0.8651(2) 0.0238(7) Uani 1 1 d . . . . .
H126 H 0.841606 0.013950 0.924011 0.029 Uiso 1 1 calc R U . . .
C131 C 0.7668(3) 0.2176(2) 0.9782(2) 0.0225(6) Uani 1 1 d . . . . .
C132 C 0.8203(3) 0.1586(3) 1.0499(2) 0.0266(7) Uani 1 1 d . . . . .
H132 H 0.905459 0.131008 1.042244 0.032 Uiso 1 1 calc R U . . .
C133 C 0.7510(3) 0.1397(3) 1.1317(2) 0.0321(8) Uani 1 1 d . . . . .
H133 H 0.788714 0.099920 1.179904 0.039 Uiso 1 1 calc R U . . .
C134 C 0.6269(3) 0.1786(3) 1.1437(2) 0.0346(8) Uani 1 1 d . . . . .
H134 H 0.579390 0.165831 1.200083 0.042 Uiso 1 1 calc R U . . .
C135 C 0.5723(3) 0.2362(3) 1.0731(2) 0.0327(8) Uani 1 1 d . . . . .
H135 H 0.487069 0.262295 1.080607 0.039 Uiso 1 1 calc R U . . .
C136 C 0.6424(3) 0.2556(3) 0.9913(2) 0.0275(7) Uani 1 1 d . . . . .
H136 H 0.604249 0.295762 0.943373 0.033 Uiso 1 1 calc R U . . .
P2 P 0.63602(7) 0.31969(6) 0.73372(5) 0.02021(16) Uani 1 1 d . . . . .
C211 C 0.4738(3) 0.3929(3) 0.7654(2) 0.0244(7) Uani 1 1 d . . . . .
C212 C 0.4298(3) 0.4945(3) 0.8103(2) 0.0253(7) Uani 1 1 d . . . . .
H212 H 0.484351 0.528046 0.825364 0.030 Uiso 1 1 calc R U . . .
C213 C 0.3069(3) 0.5479(3) 0.8335(2) 0.0310(7) Uani 1 1 d . . . . .
H213 H 0.277868 0.617078 0.864804 0.037 Uiso 1 1 calc R U . . .
C214 C 0.2270(3) 0.5007(3) 0.8112(2) 0.0337(8) Uani 1 1 d . . . . .
H214 H 0.142923 0.537938 0.826169 0.040 Uiso 1 1 calc R U . . .
C215 C 0.2692(3) 0.3991(3) 0.7669(3) 0.0364(8) Uani 1 1 d . . . . .
H215 H 0.214096 0.366186 0.752043 0.044 Uiso 1 1 calc R U . . .
C216 C 0.3920(3) 0.3450(3) 0.7442(3) 0.0315(8) Uani 1 1 d . . . . .
H216 H 0.420459 0.275052 0.714023 0.038 Uiso 1 1 calc R U . . .
C221 C 0.6665(3) 0.3182(2) 0.6083(2) 0.0245(7) Uani 1 1 d . . . . .
C222 C 0.7850(3) 0.2756(3) 0.5617(2) 0.0298(7) Uani 1 1 d . . . . .
H222 H 0.847872 0.244648 0.595190 0.036 Uiso 1 1 calc R U . . .
C223 C 0.8123(4) 0.2776(3) 0.4681(2) 0.0392(9) Uani 1 1 d . . . . .
H223 H 0.893436 0.249196 0.437858 0.047 Uiso 1 1 calc R U . . .
C224 C 0.7218(4) 0.3209(4) 0.4186(3) 0.0488(11) Uani 1 1 d . . . . .
H224 H 0.740469 0.322875 0.354203 0.059 Uiso 1 1 calc R U . . .
C225 C 0.6046(4) 0.3610(4) 0.4630(3) 0.0496(11) Uani 1 1 d . . . . .
H225 H 0.542102 0.389789 0.428917 0.059 Uiso 1 1 calc R U . . .
C226 C 0.5764(4) 0.3601(3) 0.5576(2) 0.0351(8) Uani 1 1 d . . . . .
H226 H 0.494933 0.388279 0.587391 0.042 Uiso 1 1 calc R U . . .
C231 C 0.6374(3) 0.1712(3) 0.7619(2) 0.0233(7) Uani 1 1 d . . . . .
C232 C 0.7083(3) 0.0830(3) 0.7047(2) 0.0297(7) Uani 1 1 d . . . . .
H232 H 0.758113 0.099226 0.650718 0.036 Uiso 1 1 calc R U . . .
C233 C 0.7073(4) -0.0278(3) 0.7254(3) 0.0373(9) Uani 1 1 d . . . . .
H233 H 0.756614 -0.086623 0.685651 0.045 Uiso 1 1 calc R U . . .
C234 C 0.6356(4) -0.0531(3) 0.8029(3) 0.0400(9) Uani 1 1 d . . . . .
H234 H 0.635558 -0.129173 0.816998 0.048 Uiso 1 1 calc R U . . .
C235 C 0.5635(3) 0.0326(3) 0.8603(3) 0.0382(9) Uani 1 1 d . . . . .
H235 H 0.513828 0.015320 0.913953 0.046 Uiso 1 1 calc R U . . .
C236 C 0.5634(3) 0.1444(3) 0.8399(2) 0.0306(7) Uani 1 1 d . . . . .
H236 H 0.512683 0.202899 0.879325 0.037 Uiso 1 1 calc R U . . .
C2 C 1.358(2) 0.0336(10) 0.5938(12) 0.114(3) Uani 0.337(6) 1 d D U P A 1
H2A H 1.434980 0.041263 0.556928 0.137 Uiso 0.337(6) 1 calc R U P A 1
Cl1 Cl 1.3626(7) -0.0989(6) 0.5784(7) 0.092(2) Uani 0.337(6) 1 d D U P A 1
Cl2 Cl 1.2484(6) 0.1322(6) 0.5476(5) 0.101(2) Uani 0.337(6) 1 d D U P A 1
Cl3 Cl 1.3566(10) 0.0684(6) 0.6955(5) 0.119(3) Uani 0.337(6) 1 d D U P A 1
C2' C 1.3620(17) 0.0659(14) 0.5666(15) 0.117(3) Uani 0.261(5) 1 d D U P B 2
H2' H 1.409639 0.098020 0.514525 0.140 Uiso 0.261(5) 1 calc R U P B 2
Cl1' Cl 1.3422(8) -0.0502(9) 0.5303(6) 0.097(2) Uani 0.261(5) 1 d D U P B 2
Cl2' Cl 1.2398(8) 0.1680(8) 0.6046(8) 0.113(3) Uani 0.261(5) 1 d D U P B 2
Cl3' Cl 1.4405(11) 0.0323(8) 0.6504(8) 0.133(3) Uani 0.261(5) 1 d D U P B 2
C2" C 1.381(2) 0.0480(16) 0.5598(14) 0.115(3) Uani 0.170(4) 1 d D U P C 3
H2" H 1.449249 0.071352 0.522039 0.138 Uiso 0.170(4) 1 calc R U P C 3
Cl1" Cl 1.4088(15) -0.0848(13) 0.6012(11) 0.116(4) Uani 0.170(4) 1 d D U P C 3
Cl2" Cl 1.2627(13) 0.0585(14) 0.5136(8) 0.112(3) Uani 0.170(4) 1 d D U P C 3
Cl3" Cl 1.3054(13) 0.1199(11) 0.6514(10) 0.108(3) Uani 0.170(4) 1 d D U P C 3


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Os5 B1 2.293(4) . ?
Os5 B2 2.335(4) . ?
Os5 B6 2.248(4) . ?
Os5 B10 2.385(4) . ?
Os5 H56 1.63(4) . ?
Os5 C1 1.879(3) . ?
Os5 P1 2.3866(7) . ?
Os5 P2 2.4044(8) . ?
B1 H1 1.07(4) . ?
B1 B2 1.814(6) . ?
B1 B3 1.782(6) . ?
B1 B4 1.818(5) . ?
B1 B10 1.764(5) . ?
B2 H2 1.06(4) . ?
B2 B3 1.787(5) . ?
B2 B6 1.747(5) . ?
B2 B7 1.793(6) . ?
B3 H3 1.11(4) . ?
B3 B4 1.769(6) . ?
B3 B7 1.753(6) . ?
B3 B8 1.742(6) . ?
B4 H4 1.25(4) . ?
B4 B8 1.779(6) . ?
B4 B9 1.708(6) . ?
B4 B10 1.797(5) . ?
B6 H6 1.08(3) . ?
B6 B7 1.783(5) . ?
B6 H56 1.43(4) . ?
B6 H67 1.40(4) . ?
B7 H7 1.11(4) . ?
B7 B8 1.966(6) . ?
B7 H67 1.20(4) . ?
B8 H8 1.14(4) . ?
B8 B9 1.787(6) . ?
B8 H89 1.29(4) . ?
B9 H9 1.11(4) . ?
B9 B10 1.821(6) . ?
B9 H89 1.27(4) . ?
B9 H910 1.35(4) . ?
B10 H10 1.07(4) . ?
B10 H910 1.24(4) . ?
C1 O1 1.150(4) . ?
P1 C111 1.837(3) . ?
P1 C121 1.838(3) . ?
P1 C131 1.840(3) . ?
C111 C112 1.388(5) . ?
C111 C116 1.398(4) . ?
C112 H112 0.950 . ?
C112 C113 1.390(5) . ?
C113 H113 0.950 . ?
C113 C114 1.382(5) . ?
C114 H114 0.950 . ?
C114 C115 1.385(5) . ?
C115 H115 0.950 . ?
C115 C116 1.380(5) . ?
C116 H116 0.950 . ?
C121 C122 1.392(5) . ?
C121 C126 1.393(4) . ?
C122 H122 0.950 . ?
C122 C123 1.387(5) . ?
C123 H123 0.950 . ?
C123 C124 1.387(5) . ?
C124 H124 0.950 . ?
C124 C125 1.377(5) . ?
C125 H125 0.950 . ?
C125 C126 1.390(4) . ?
C126 H126 0.950 . ?
C131 C132 1.396(4) . ?
C131 C136 1.385(5) . ?
C132 H132 0.950 . ?
C132 C133 1.381(5) . ?
C133 H133 0.950 . ?
C133 C134 1.382(5) . ?
C134 H134 0.950 . ?
C134 C135 1.384(5) . ?
C135 H135 0.950 . ?
C135 C136 1.387(5) . ?
C136 H136 0.950 . ?
P2 C211 1.840(3) . ?
P2 C221 1.851(3) . ?
P2 C231 1.851(3) . ?
C211 C212 1.386(4) . ?
C211 C216 1.396(5) . ?
C212 H212 0.950 . ?
C212 C213 1.389(5) . ?
C213 H213 0.950 . ?
C213 C214 1.376(5) . ?
C214 H214 0.950 . ?
C214 C215 1.381(5) . ?
C215 H215 0.950 . ?
C215 C216 1.388(5) . ?
C216 H216 0.950 . ?
C221 C222 1.399(5) . ?
C221 C226 1.386(5) . ?
C222 H222 0.950 . ?
C222 C223 1.381(5) . ?
C223 H223 0.950 . ?
C223 C224 1.379(6) . ?
C224 H224 0.950 . ?
C224 C225 1.374(6) . ?
C225 H225 0.950 . ?
C225 C226 1.396(5) . ?
C226 H226 0.950 . ?
C231 C232 1.395(5) . ?
C231 C236 1.399(5) . ?
C232 H232 0.950 . ?
C232 C233 1.387(5) . ?
C233 H233 0.950 . ?
C233 C234 1.374(6) . ?
C234 H234 0.950 . ?
C234 C235 1.381(6) . ?
C235 H235 0.950 . ?
C235 C236 1.394(5) . ?
C236 H236 0.950 . ?
C2 H2A 1.000 . ?
C2 Cl1 1.667(12) . ?
C2 Cl2 1.700(13) . ?
C2 Cl3 1.628(13) . ?
C2' H2' 1.000 . ?
C2' Cl1' 1.691(14) . ?
C2' Cl2' 1.638(14) . ?
C2' Cl3' 1.670(14) . ?
C2" H2" 1.000 . ?
C2" Cl1" 1.663(16) . ?
C2" Cl2" 1.665(16) . ?
C2" Cl3" 1.651(16) . ?
Cl2" Cl3" 2.479(16) . ?

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
B1 Os5 B2 46.13(14) . . ?
B1 Os5 B6 82.66(14) . . ?
B1 Os5 B10 44.24(13) . . ?
B1 Os5 H56 102.2(14) . . ?
B1 Os5 C1 76.09(13) . . ?
B1 Os5 P1 141.51(10) . . ?
B1 Os5 P2 121.72(11) . . ?
B2 Os5 B6 44.78(14) . . ?
B2 Os5 B10 81.42(13) . . ?
B2 Os5 H56 80.8(14) . . ?
B2 Os5 C1 93.86(14) . . ?
B2 Os5 P1 102.04(10) . . ?
B2 Os5 P2 158.93(10) . . ?
B6 Os5 B10 94.35(13) . . ?
B6 Os5 H56 39.5(14) . . ?
B6 Os5 C1 134.27(14) . . ?
B6 Os5 P1 84.55(10) . . ?
B6 Os5 P2 126.23(10) . . ?
B10 Os5 H56 85.0(14) . . ?
B10 Os5 C1 97.65(13) . . ?
B10 Os5 P1 173.55(9) . . ?
B10 Os5 P2 80.57(9) . . ?
H56 Os5 C1 173.6(14) . . ?
H56 Os5 P1 90.1(14) . . ?
H56 Os5 P2 86.9(14) . . ?
C1 Os5 P1 87.60(9) . . ?
C1 Os5 P2 99.28(10) . . ?
P1 Os5 P2 94.94(3) . . ?
Os5 B1 H1 114(2) . . ?
Os5 B1 B2 68.15(17) . . ?
Os5 B1 B3 117.9(2) . . ?
Os5 B1 B4 123.5(2) . . ?
Os5 B1 B10 70.65(17) . . ?
H1 B1 B2 120(2) . . ?
H1 B1 B3 120(2) . . ?
H1 B1 B4 112.0(19) . . ?
H1 B1 B10 117(2) . . ?
B2 B1 B3 59.6(2) . . ?
B2 B1 B4 112.6(3) . . ?
B2 B1 B10 118.8(3) . . ?
B3 B1 B4 58.9(2) . . ?
B3 B1 B10 107.2(3) . . ?
B4 B1 B10 60.2(2) . . ?
Os5 B2 B1 65.72(17) . . ?
Os5 B2 H2 118.7(19) . . ?
Os5 B2 B3 115.7(2) . . ?
Os5 B2 B6 64.97(17) . . ?
Os5 B2 B7 113.1(2) . . ?
B1 B2 H2 120.2(19) . . ?
B1 B2 B3 59.3(2) . . ?
B1 B2 B6 114.7(3) . . ?
B1 B2 B7 106.2(3) . . ?
H2 B2 B3 116.3(19) . . ?
H2 B2 B6 119.9(19) . . ?
H2 B2 B7 120.5(19) . . ?
B3 B2 B6 111.3(3) . . ?
B3 B2 B7 58.6(2) . . ?
B6 B2 B7 60.4(2) . . ?
B1 B3 B2 61.1(2) . . ?
B1 B3 H3 125(2) . . ?
B1 B3 B4 61.6(2) . . ?
B1 B3 B7 109.4(3) . . ?
B1 B3 B8 109.0(3) . . ?
B2 B3 H3 114(2) . . ?
B2 B3 B4 116.4(3) . . ?
B2 B3 B7 60.9(2) . . ?
B2 B3 B8 117.5(3) . . ?
H3 B3 B4 120(2) . . ?
H3 B3 B7 114(2) . . ?
H3 B3 B8 118(2) . . ?
B4 B3 B7 118.5(3) . . ?
B4 B3 B8 60.9(2) . . ?
B7 B3 B8 68.5(2) . . ?
B1 B4 B3 59.5(2) . . ?
B1 B4 H4 114.2(17) . . ?
B1 B4 B8 105.8(3) . . ?
B1 B4 B9 111.0(3) . . ?
B1 B4 B10 58.4(2) . . ?
B3 B4 H4 112.6(18) . . ?
B3 B4 B8 58.8(2) . . ?
B3 B4 B9 111.2(3) . . ?
B3 B4 B10 106.3(3) . . ?
H4 B4 B8 124.6(18) . . ?
H4 B4 B9 128.2(17) . . ?
H4 B4 B10 126.2(18) . . ?
B8 B4 B9 61.6(2) . . ?
B8 B4 B10 106.9(3) . . ?
B9 B4 B10 62.5(2) . . ?
Os5 B6 B2 70.25(18) . . ?
Os5 B6 H6 126.1(18) . . ?
Os5 B6 B7 117.7(2) . . ?
Os5 B6 H56 46.3(15) . . ?
Os5 B6 H67 121.7(18) . . ?
B2 B6 H6 128.8(18) . . ?
B2 B6 B7 61.1(2) . . ?
B2 B6 H56 110.8(16) . . ?
B2 B6 H67 99.1(18) . . ?
H6 B6 B7 114.5(18) . . ?
H6 B6 H56 111(2) . . ?
H6 B6 H67 106(2) . . ?
B7 B6 H56 122.8(16) . . ?
B7 B6 H67 42.3(18) . . ?
H56 B6 H67 94(2) . . ?
B2 B7 B3 60.5(2) . . ?
B2 B7 B6 58.5(2) . . ?
B2 B7 H7 125.4(19) . . ?
B2 B7 B8 106.6(3) . . ?
B2 B7 H67 105(2) . . ?
B3 B7 B6 111.2(3) . . ?
B3 B7 H7 120.3(19) . . ?
B3 B7 B8 55.5(2) . . ?
B3 B7 H67 126(2) . . ?
B6 B7 H7 119.2(19) . . ?
B6 B7 B8 119.3(3) . . ?
B6 B7 H67 51(2) . . ?
H7 B7 B8 115.7(19) . . ?
H7 B7 H67 110(3) . . ?
B8 B7 H67 87(2) . . ?
B3 B8 B4 60.3(2) . . ?
B3 B8 B7 56.0(2) . . ?
B3 B8 H8 122(2) . . ?
B3 B8 B9 108.8(3) . . ?
B3 B8 H89 127.9(17) . . ?
B4 B8 B7 107.7(3) . . ?
B4 B8 H8 127(2) . . ?
B4 B8 B9 57.3(2) . . ?
B4 B8 H89 100.0(17) . . ?
B7 B8 H8 114(2) . . ?
B7 B8 B9 118.4(3) . . ?
B7 B8 H89 93.7(17) . . ?
H8 B8 B9 121(2) . . ?
H8 B8 H89 108(3) . . ?
B9 B8 H89 45.3(17) . . ?
B4 B9 B8 61.1(2) . . ?
B4 B9 H9 128(2) . . ?
B4 B9 B10 61.1(2) . . ?
B4 B9 H89 104.6(17) . . ?
B4 B9 H910 100.8(16) . . ?
B8 B9 H9 127(2) . . ?
B8 B9 B10 105.5(3) . . ?
B8 B9 H89 46.2(17) . . ?
B8 B9 H910 115.7(17) . . ?
H9 B9 B10 125(2) . . ?
H9 B9 H89 111(3) . . ?
H9 B9 H910 113(3) . . ?
B10 B9 H89 118.2(17) . . ?
B10 B9 H910 43.0(16) . . ?
H89 B9 H910 94(2) . . ?
Os5 B10 B1 65.11(17) . . ?
Os5 B10 B4 119.7(2) . . ?
Os5 B10 B9 123.2(2) . . ?
Os5 B10 H10 114.9(19) . . ?
Os5 B10 H910 87.8(17) . . ?
B1 B10 B4 61.4(2) . . ?
B1 B10 B9 108.4(3) . . ?
B1 B10 H10 127.4(19) . . ?
B1 B10 H910 124.7(18) . . ?
B4 B10 B9 56.3(2) . . ?
B4 B10 H10 118.7(19) . . ?
B4 B10 H910 100.6(18) . . ?
B9 B10 H10 111.5(19) . . ?
B9 B10 H910 47.7(18) . . ?
H10 B10 H910 107(3) . . ?
Os5 C1 O1 172.3(3) . . ?
Os5 P1 C111 114.39(10) . . ?
Os5 P1 C121 118.85(10) . . ?
Os5 P1 C131 115.62(10) . . ?
C111 P1 C121 102.31(14) . . ?
C111 P1 C131 99.82(14) . . ?
C121 P1 C131 103.28(14) . . ?
P1 C111 C112 123.2(2) . . ?
P1 C111 C116 118.1(2) . . ?
C112 C111 C116 118.7(3) . . ?
C111 C112 H112 119.8 . . ?
C111 C112 C113 120.4(3) . . ?
H112 C112 C113 119.8 . . ?
C112 C113 H113 119.8 . . ?
C112 C113 C114 120.4(3) . . ?
H113 C113 C114 119.8 . . ?
C113 C114 H114 120.2 . . ?
C113 C114 C115 119.6(3) . . ?
H114 C114 C115 120.2 . . ?
C114 C115 H115 119.8 . . ?
C114 C115 C116 120.3(3) . . ?
H115 C115 C116 119.8 . . ?
C111 C116 C115 120.6(3) . . ?
C111 C116 H116 119.7 . . ?
C115 C116 H116 119.7 . . ?
P1 C121 C122 119.5(2) . . ?
P1 C121 C126 121.7(2) . . ?
C122 C121 C126 118.7(3) . . ?
C121 C122 H122 119.6 . . ?
C121 C122 C123 120.8(3) . . ?
H122 C122 C123 119.6 . . ?
C122 C123 H123 120.1 . . ?
C122 C123 C124 119.8(3) . . ?
H123 C123 C124 120.1 . . ?
C123 C124 H124 119.9 . . ?
C123 C124 C125 120.1(3) . . ?
H124 C124 C125 119.9 . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.1(3) . . ?
H125 C125 C126 120.0 . . ?
C121 C126 C125 120.5(3) . . ?
C121 C126 H126 119.7 . . ?
C125 C126 H126 119.7 . . ?
P1 C131 C132 120.6(2) . . ?
P1 C131 C136 121.3(2) . . ?
C132 C131 C136 118.0(3) . . ?
C131 C132 H132 119.6 . . ?
C131 C132 C133 120.9(3) . . ?
H132 C132 C133 119.6 . . ?
C132 C133 H133 119.8 . . ?
C132 C133 C134 120.3(3) . . ?
H133 C133 C134 119.8 . . ?
C133 C134 H134 120.2 . . ?
C133 C134 C135 119.6(3) . . ?
H134 C134 C135 120.2 . . ?
C134 C135 H135 120.1 . . ?
C134 C135 C136 119.8(3) . . ?
H135 C135 C136 120.1 . . ?
C131 C136 C135 121.4(3) . . ?
C131 C136 H136 119.3 . . ?
C135 C136 H136 119.3 . . ?
Os5 P2 C211 116.89(10) . . ?
Os5 P2 C221 108.73(11) . . ?
Os5 P2 C231 123.56(10) . . ?
C211 P2 C221 104.96(15) . . ?
C211 P2 C231 99.80(14) . . ?
C221 P2 C231 100.44(14) . . ?
P2 C211 C212 122.0(2) . . ?
P2 C211 C216 119.4(2) . . ?
C212 C211 C216 118.6(3) . . ?
C211 C212 H212 119.6 . . ?
C211 C212 C213 120.8(3) . . ?
H212 C212 C213 119.6 . . ?
C212 C213 H213 119.9 . . ?
C212 C213 C214 120.1(3) . . ?
H213 C213 C214 119.9 . . ?
C213 C214 H214 120.1 . . ?
C213 C214 C215 119.9(3) . . ?
H214 C214 C215 120.1 . . ?
C214 C215 H215 119.9 . . ?
C214 C215 C216 120.2(3) . . ?
H215 C215 C216 119.9 . . ?
C211 C216 C215 120.4(3) . . ?
C211 C216 H216 119.8 . . ?
C215 C216 H216 119.8 . . ?
P2 C221 C222 119.4(2) . . ?
P2 C221 C226 122.6(3) . . ?
C222 C221 C226 118.0(3) . . ?
C221 C222 H222 119.3 . . ?
C221 C222 C223 121.3(3) . . ?
H222 C222 C223 119.3 . . ?
C222 C223 H223 120.0 . . ?
C222 C223 C224 120.1(4) . . ?
H223 C223 C224 120.0 . . ?
C223 C224 H224 120.2 . . ?
C223 C224 C225 119.6(4) . . ?
H224 C224 C225 120.2 . . ?
C224 C225 H225 119.6 . . ?
C224 C225 C226 120.7(4) . . ?
H225 C225 C226 119.6 . . ?
C221 C226 C225 120.4(4) . . ?
C221 C226 H226 119.8 . . ?
C225 C226 H226 119.8 . . ?
P2 C231 C232 121.4(3) . . ?
P2 C231 C236 120.8(2) . . ?
C232 C231 C236 117.8(3) . . ?
C231 C232 H232 119.4 . . ?
C231 C232 C233 121.1(3) . . ?
H232 C232 C233 119.4 . . ?
C232 C233 H233 119.8 . . ?
C232 C233 C234 120.4(3) . . ?
H233 C233 C234 119.8 . . ?
C233 C234 H234 120.1 . . ?
C233 C234 C235 119.7(3) . . ?
H234 C234 C235 120.1 . . ?
C234 C235 H235 119.9 . . ?
C234 C235 C236 120.3(4) . . ?
H235 C235 C236 119.9 . . ?
C231 C236 C235 120.7(3) . . ?
C231 C236 H236 119.7 . . ?
C235 C236 H236 119.7 . . ?
H2A C2 Cl1 104.7 . . ?
H2A C2 Cl2 104.7 . . ?
H2A C2 Cl3 104.7 . . ?
Cl1 C2 Cl2 112.5(10) . . ?
Cl1 C2 Cl3 118.3(10) . . ?
Cl2 C2 Cl3 110.4(10) . . ?
H2' C2' Cl1' 107.7 . . ?
H2' C2' Cl2' 107.7 . . ?
H2' C2' Cl3' 107.7 . . ?
Cl1' C2' Cl2' 116.4(12) . . ?
Cl1' C2' Cl3' 111.4(11) . . ?
Cl2' C2' Cl3' 105.8(11) . . ?
H2" C2" Cl1" 118.4 . . ?
H2" C2" Cl2" 118.4 . . ?
H2" C2" Cl3" 118.4 . . ?
Cl1" C2" Cl2" 99.9(13) . . ?
Cl1" C2" Cl3" 101.1(13) . . ?
Cl2" C2" Cl3" 96.8(12) . . ?

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
Os5 B1 B2 B3 145.1(2) . . . . ?
Os5 B1 B2 B6 44.1(2) . . . . ?
Os5 B1 B2 B7 108.5(2) . . . . ?
B3 B1 B2 Os5 -145.1(2) . . . . ?
B3 B1 B2 B6 -101.1(3) . . . . ?
B3 B1 B2 B7 -36.7(2) . . . . ?
B4 B1 B2 Os5 -118.5(3) . . . . ?
B4 B1 B2 B3 26.6(3) . . . . ?
B4 B1 B2 B6 -74.4(3) . . . . ?
B4 B1 B2 B7 -10.0(3) . . . . ?
B10 B1 B2 Os5 -51.1(2) . . . . ?
B10 B1 B2 B3 94.0(3) . . . . ?
B10 B1 B2 B6 -7.1(4) . . . . ?
B10 B1 B2 B7 57.3(4) . . . . ?
Os5 B1 B3 B2 -36.9(2) . . . . ?
Os5 B1 B3 B4 114.2(3) . . . . ?
Os5 B1 B3 B7 1.5(4) . . . . ?
Os5 B1 B3 B8 74.6(3) . . . . ?
B2 B1 B3 B4 151.1(3) . . . . ?
B2 B1 B3 B7 38.4(3) . . . . ?
B2 B1 B3 B8 111.5(3) . . . . ?
B4 B1 B3 B2 -151.1(3) . . . . ?
B4 B1 B3 B7 -112.6(3) . . . . ?
B4 B1 B3 B8 -39.5(3) . . . . ?
B10 B1 B3 B2 -113.7(3) . . . . ?
B10 B1 B3 B4 37.3(3) . . . . ?
B10 B1 B3 B7 -75.3(3) . . . . ?
B10 B1 B3 B8 -2.2(4) . . . . ?
Os5 B2 B3 B1 35.3(2) . . . . ?
Os5 B2 B3 B4 7.0(4) . . . . ?
Os5 B2 B3 B7 -102.5(3) . . . . ?
Os5 B2 B3 B8 -62.3(4) . . . . ?
B1 B2 B3 B4 -28.4(3) . . . . ?
B1 B2 B3 B7 -137.8(3) . . . . ?
B1 B2 B3 B8 -97.6(3) . . . . ?
B6 B2 B3 B1 106.9(3) . . . . ?
B6 B2 B3 B4 78.5(4) . . . . ?
B6 B2 B3 B7 -30.9(3) . . . . ?
B6 B2 B3 B8 9.3(4) . . . . ?
B7 B2 B3 B1 137.8(3) . . . . ?
B7 B2 B3 B4 109.5(3) . . . . ?
B7 B2 B3 B8 40.2(3) . . . . ?
B1 B3 B4 B8 -136.5(3) . . . . ?
B1 B3 B4 B9 -102.6(3) . . . . ?
B1 B3 B4 B10 -36.3(3) . . . . ?
B2 B3 B4 B1 28.2(3) . . . . ?
B2 B3 B4 B8 -108.3(3) . . . . ?
B2 B3 B4 B9 -74.4(4) . . . . ?
B2 B3 B4 B10 -8.1(4) . . . . ?
B7 B3 B4 B1 97.8(3) . . . . ?
B7 B3 B4 B8 -38.7(3) . . . . ?
B7 B3 B4 B9 -4.8(4) . . . . ?
B7 B3 B4 B10 61.4(4) . . . . ?
B8 B3 B4 B1 136.5(3) . . . . ?
B8 B3 B4 B9 33.8(3) . . . . ?
B8 B3 B4 B10 100.1(3) . . . . ?
Os5 B1 B4 B3 -104.9(3) . . . . ?
Os5 B1 B4 B8 -67.1(3) . . . . ?
Os5 B1 B4 B9 -2.0(4) . . . . ?
Os5 B1 B4 B10 33.3(3) . . . . ?
B2 B1 B4 B3 -26.9(3) . . . . ?
B2 B1 B4 B8 10.9(4) . . . . ?
B2 B1 B4 B9 76.0(4) . . . . ?
B2 B1 B4 B10 111.3(3) . . . . ?
B3 B1 B4 B8 37.8(3) . . . . ?
B3 B1 B4 B9 102.9(3) . . . . ?
B3 B1 B4 B10 138.1(3) . . . . ?
B10 B1 B4 B3 -138.1(3) . . . . ?
B10 B1 B4 B8 -100.4(3) . . . . ?
B10 B1 B4 B9 -35.2(3) . . . . ?
Os5 B2 B6 B7 139.6(2) . . . . ?
B1 B2 B6 Os5 -44.4(2) . . . . ?
B1 B2 B6 B7 95.3(3) . . . . ?
B3 B2 B6 Os5 -109.3(3) . . . . ?
B3 B2 B6 B7 30.3(3) . . . . ?
B7 B2 B6 Os5 -139.6(2) . . . . ?
B1 B3 B7 B2 -38.5(3) . . . . ?
B1 B3 B7 B6 -8.3(4) . . . . ?
B1 B3 B7 B8 103.4(3) . . . . ?
B2 B3 B7 B6 30.2(3) . . . . ?
B2 B3 B7 B8 142.0(3) . . . . ?
B4 B3 B7 B2 -106.0(3) . . . . ?
B4 B3 B7 B6 -75.8(4) . . . . ?
B4 B3 B7 B8 35.9(3) . . . . ?
B8 B3 B7 B2 -142.0(3) . . . . ?
B8 B3 B7 B6 -111.7(3) . . . . ?
Os5 B6 B7 B2 43.5(2) . . . . ?
Os5 B6 B7 B3 12.5(4) . . . . ?
Os5 B6 B7 B8 -48.8(4) . . . . ?
B2 B6 B7 B3 -30.9(3) . . . . ?
B2 B6 B7 B8 -92.3(3) . . . . ?
Os5 B2 B7 B3 107.0(3) . . . . ?
Os5 B2 B7 B6 -39.6(2) . . . . ?
Os5 B2 B7 B8 75.0(3) . . . . ?
B1 B2 B7 B3 37.0(2) . . . . ?
B1 B2 B7 B6 -109.6(3) . . . . ?
B1 B2 B7 B8 5.0(3) . . . . ?
B3 B2 B7 B6 -146.6(3) . . . . ?
B3 B2 B7 B8 -32.0(2) . . . . ?
B6 B2 B7 B3 146.6(3) . . . . ?
B6 B2 B7 B8 114.6(3) . . . . ?
B1 B3 B8 B4 39.9(3) . . . . ?
B1 B3 B8 B7 -103.9(3) . . . . ?
B1 B3 B8 B9 8.2(4) . . . . ?
B2 B3 B8 B4 106.5(3) . . . . ?
B2 B3 B8 B7 -37.3(3) . . . . ?
B2 B3 B8 B9 74.8(4) . . . . ?
B4 B3 B8 B7 -143.8(3) . . . . ?
B4 B3 B8 B9 -31.6(3) . . . . ?
B7 B3 B8 B4 143.8(3) . . . . ?
B7 B3 B8 B9 112.2(3) . . . . ?
B1 B4 B8 B3 -38.1(2) . . . . ?
B1 B4 B8 B7 -7.2(3) . . . . ?
B1 B4 B8 B9 105.7(3) . . . . ?
B3 B4 B8 B7 31.0(2) . . . . ?
B3 B4 B8 B9 143.8(3) . . . . ?
B9 B4 B8 B3 -143.8(3) . . . . ?
B9 B4 B8 B7 -112.9(3) . . . . ?
B10 B4 B8 B3 -99.2(3) . . . . ?
B10 B4 B8 B7 -68.2(3) . . . . ?
B10 B4 B8 B9 44.6(3) . . . . ?
B1 B4 B9 B8 -97.1(3) . . . . ?
B1 B4 B9 B10 33.6(3) . . . . ?
B3 B4 B9 B8 -32.8(3) . . . . ?
B3 B4 B9 B10 97.9(3) . . . . ?
B8 B4 B9 B10 130.7(3) . . . . ?
B10 B4 B9 B8 -130.7(3) . . . . ?
B3 B8 B9 B4 32.8(3) . . . . ?
B3 B8 B9 B10 -10.7(4) . . . . ?
B4 B8 B9 B10 -43.5(2) . . . . ?
B7 B8 B9 B4 93.7(3) . . . . ?
B7 B8 B9 B10 50.1(4) . . . . ?
Os5 B1 B10 B4 -151.0(2) . . . . ?
Os5 B1 B10 B9 -118.8(2) . . . . ?
B2 B1 B10 Os5 50.0(2) . . . . ?
B2 B1 B10 B4 -101.0(3) . . . . ?
B2 B1 B10 B9 -68.8(4) . . . . ?
B3 B1 B10 Os5 114.3(2) . . . . ?
B3 B1 B10 B4 -36.7(3) . . . . ?
B3 B1 B10 B9 -4.6(3) . . . . ?
B4 B1 B10 Os5 151.0(2) . . . . ?
B4 B1 B10 B9 32.2(3) . . . . ?
B1 B4 B10 Os5 -30.4(2) . . . . ?
B1 B4 B10 B9 -142.6(3) . . . . ?
B3 B4 B10 Os5 6.4(4) . . . . ?
B3 B4 B10 B1 36.8(3) . . . . ?
B3 B4 B10 B9 -105.8(3) . . . . ?
B8 B4 B10 Os5 68.1(3) . . . . ?
B8 B4 B10 B1 98.5(3) . . . . ?
B8 B4 B10 B9 -44.1(3) . . . . ?
B9 B4 B10 Os5 112.2(3) . . . . ?
B9 B4 B10 B1 142.6(3) . . . . ?
B4 B9 B10 Os5 -105.9(3) . . . . ?
B4 B9 B10 B1 -34.2(3) . . . . ?
B8 B9 B10 Os5 -62.4(3) . . . . ?
B8 B9 B10 B1 9.4(3) . . . . ?
B8 B9 B10 B4 43.5(3) . . . . ?
Os5 P1 C111 C112 -121.7(3) . . . . ?
Os5 P1 C111 C116 59.8(3) . . . . ?
C121 P1 C111 C112 8.2(3) . . . . ?
C121 P1 C111 C116 -170.3(2) . . . . ?
C131 P1 C111 C112 114.2(3) . . . . ?
C131 P1 C111 C116 -64.3(3) . . . . ?
P1 C111 C112 C113 -178.4(3) . . . . ?
C116 C111 C112 C113 0.1(5) . . . . ?
C111 C112 C113 C114 0.2(6) . . . . ?
C112 C113 C114 C115 -0.2(6) . . . . ?
C113 C114 C115 C116 -0.3(5) . . . . ?
C114 C115 C116 C111 0.6(5) . . . . ?
P1 C111 C116 C115 178.0(3) . . . . ?
C112 C111 C116 C115 -0.5(5) . . . . ?
Os5 P1 C121 C122 47.9(3) . . . . ?
Os5 P1 C121 C126 -134.6(2) . . . . ?
C111 P1 C121 C122 -79.1(3) . . . . ?
C111 P1 C121 C126 98.3(3) . . . . ?
C131 P1 C121 C122 177.5(3) . . . . ?
C131 P1 C121 C126 -5.0(3) . . . . ?
P1 C121 C122 C123 176.2(3) . . . . ?
C126 C121 C122 C123 -1.3(5) . . . . ?
C121 C122 C123 C124 1.0(5) . . . . ?
C122 C123 C124 C125 0.3(5) . . . . ?
C123 C124 C125 C126 -1.2(5) . . . . ?
C124 C125 C126 C121 0.8(5) . . . . ?
P1 C121 C126 C125 -177.1(3) . . . . ?
C122 C121 C126 C125 0.4(5) . . . . ?
Os5 P1 C131 C132 -154.0(2) . . . . ?
Os5 P1 C131 C136 27.4(3) . . . . ?
C111 P1 C131 C132 -30.8(3) . . . . ?
C111 P1 C131 C136 150.6(3) . . . . ?
C121 P1 C131 C132 74.4(3) . . . . ?
C121 P1 C131 C136 -104.1(3) . . . . ?
P1 C131 C132 C133 -179.3(2) . . . . ?
C136 C131 C132 C133 -0.6(5) . . . . ?
C131 C132 C133 C134 0.4(5) . . . . ?
C132 C133 C134 C135 0.3(5) . . . . ?
C133 C134 C135 C136 -0.8(5) . . . . ?
P1 C131 C136 C135 178.7(3) . . . . ?
C132 C131 C136 C135 0.1(5) . . . . ?
C134 C135 C136 C131 0.6(5) . . . . ?
Os5 P2 C211 C212 3.2(3) . . . . ?
Os5 P2 C211 C216 -176.5(2) . . . . ?
C221 P2 C211 C212 -117.3(3) . . . . ?
C221 P2 C211 C216 62.9(3) . . . . ?
C231 P2 C211 C212 139.0(3) . . . . ?
C231 P2 C211 C216 -40.8(3) . . . . ?
P2 C211 C212 C213 -180.0(3) . . . . ?
C216 C211 C212 C213 -0.2(5) . . . . ?
C211 C212 C213 C214 -0.7(5) . . . . ?
C212 C213 C214 C215 1.1(5) . . . . ?
C213 C214 C215 C216 -0.6(6) . . . . ?
C214 C215 C216 C211 -0.3(6) . . . . ?
P2 C211 C216 C215 -179.6(3) . . . . ?
C212 C211 C216 C215 0.6(5) . . . . ?
Os5 P2 C221 C222 49.3(3) . . . . ?
Os5 P2 C221 C226 -129.3(3) . . . . ?
C211 P2 C221 C222 175.1(2) . . . . ?
C211 P2 C221 C226 -3.5(3) . . . . ?
C231 P2 C221 C222 -81.7(3) . . . . ?
C231 P2 C221 C226 99.7(3) . . . . ?
P2 C221 C222 C223 -177.0(3) . . . . ?
C226 C221 C222 C223 1.6(5) . . . . ?
C221 C222 C223 C224 -0.8(5) . . . . ?
C222 C223 C224 C225 -0.5(6) . . . . ?
C223 C224 C225 C226 1.0(7) . . . . ?
P2 C221 C226 C225 177.5(3) . . . . ?
C222 C221 C226 C225 -1.1(5) . . . . ?
C224 C225 C226 C221 -0.1(6) . . . . ?
Os5 P2 C231 C232 -90.6(3) . . . . ?
Os5 P2 C231 C236 91.8(3) . . . . ?
C211 P2 C231 C232 137.7(3) . . . . ?
C211 P2 C231 C236 -39.9(3) . . . . ?
C221 P2 C231 C232 30.3(3) . . . . ?
C221 P2 C231 C236 -147.3(3) . . . . ?
P2 C231 C232 C233 -178.9(3) . . . . ?
C236 C231 C232 C233 -1.2(5) . . . . ?
C231 C232 C233 C234 0.3(5) . . . . ?
C232 C233 C234 C235 0.4(6) . . . . ?
C233 C234 C235 C236 0.0(6) . . . . ?
C234 C235 C236 C231 -0.9(5) . . . . ?
P2 C231 C236 C235 179.2(3) . . . . ?
C232 C231 C236 C235 1.5(5) . . . . ?

_refine_diff_density_max         1.768
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.080



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: chloroform'
