# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_aaa
_database_code_depnum_ccdc_archive 'CCDC 1429879'
_audit_update_record             
;
2016-02-12 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;
_audit_creation_date             2016-01-01
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
"benzo[1,2-b:5,4-b']dithiophene bridged dinucelar ruthenium complexes"
_chemical_formula_moiety         'C86 H82 P4 Ru2 S2, 0.25(O2)'
_chemical_formula_sum            'C86 H82 O0.50 P4 Ru2 S2'
_chemical_formula_weight         1513.66
_chemical_melting_point          ?
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.936(3)
_cell_length_b                   11.920(2)
_cell_length_c                   20.375(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.59(3)
_cell_angle_gamma                90.00
_cell_volume                     3824.7(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7890
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.66
_cell_measurement_theta_min      1.34
_exptl_absorpt_coefficient_mu    0.577
_exptl_absorpt_correction_T_max  0.8787
_exptl_absorpt_correction_T_min  0.7977
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1564
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.13
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16203
_diffrn_reflns_theta_full        22.66
_diffrn_reflns_theta_max         22.66
_diffrn_reflns_theta_min         1.34
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3852
_reflns_number_total             5030
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.506
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         5030
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0534
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0734P)²+8.9561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1627
_refine_special_details          SQUEEZE
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.75542(3) 0.44273(5) 0.55228(3) 0.0445(2) Uani 1 1 d . . .
C43' C 0.9423(13) 0.8346(18) 0.5601(17) 0.059(6) Uani 0.496(13) 1 d P A 2
H43' H 0.9566 0.8240 0.6083 0.071 Uiso 0.496(13) 1 calc PR A 2
S1' S 0.8714(4) 0.7955(5) 0.4293(4) 0.060(2) Uani 0.496(13) 1 d P A 2
P1 P 0.88847(12) 0.39830(17) 0.62679(10) 0.0547(5) Uani 1 1 d . . .
P2 P 0.80023(11) 0.36082(15) 0.47159(9) 0.0465(5) Uani 1 1 d . . .
C1 C 0.6372(4) 0.3515(7) 0.5527(4) 0.063(2) Uani 1 1 d . . .
C2 C 0.6120(4) 0.4359(8) 0.4990(4) 0.061(2) Uani 1 1 d . . .
C3 C 0.6349(5) 0.5422(8) 0.5303(5) 0.067(2) Uani 1 1 d . . .
C4 C 0.6770(5) 0.5249(7) 0.6062(4) 0.061(2) Uani 1 1 d . . .
C5 C 0.6753(4) 0.4067(7) 0.6185(4) 0.061(2) Uani 1 1 d . . .
C6 C 0.6152(6) 0.2302(8) 0.5412(6) 0.091(3) Uani 1 1 d . . .
H6A H 0.6282 0.2034 0.5018 0.137 Uiso 1 1 calc R . .
H6B H 0.5557 0.2204 0.5315 0.137 Uiso 1 1 calc R . .
H6C H 0.6476 0.1886 0.5827 0.137 Uiso 1 1 calc R . .
C7 C 0.5580(5) 0.4186(10) 0.4225(5) 0.096(3) Uani 1 1 d . . .
H7A H 0.5717 0.4744 0.3944 0.144 Uiso 1 1 calc R . .
H7B H 0.4991 0.4250 0.4163 0.144 Uiso 1 1 calc R . .
H7C H 0.5685 0.3453 0.4080 0.144 Uiso 1 1 calc R . .
C8 C 0.6164(6) 0.6532(9) 0.4956(6) 0.103(4) Uani 1 1 d . . .
H8A H 0.6684 0.6943 0.5062 0.154 Uiso 1 1 calc R . .
H8B H 0.5789 0.6941 0.5126 0.154 Uiso 1 1 calc R . .
H8C H 0.5898 0.6433 0.4454 0.154 Uiso 1 1 calc R . .
C9 C 0.7064(6) 0.6161(8) 0.6594(5) 0.093(3) Uani 1 1 d . . .
H9A H 0.7446 0.5858 0.7032 0.140 Uiso 1 1 calc R . .
H9B H 0.6584 0.6492 0.6663 0.140 Uiso 1 1 calc R . .
H9C H 0.7353 0.6724 0.6429 0.140 Uiso 1 1 calc R . .
C10 C 0.6986(5) 0.3543(8) 0.6900(4) 0.079(3) Uani 1 1 d . . .
H10A H 0.7122 0.2766 0.6875 0.119 Uiso 1 1 calc R . .
H10B H 0.6516 0.3602 0.7054 0.119 Uiso 1 1 calc R . .
H10C H 0.7470 0.3923 0.7229 0.119 Uiso 1 1 calc R . .
C11 C 0.7791(5) 0.4289(6) 0.3857(4) 0.0588(19) Uani 1 1 d . . .
C12 C 0.7328(5) 0.5284(7) 0.3688(4) 0.067(2) Uani 1 1 d . . .
H12 H 0.7126 0.5605 0.4012 0.080 Uiso 1 1 calc R . .
C13 C 0.7164(6) 0.5802(8) 0.3041(5) 0.088(3) Uani 1 1 d . . .
H13 H 0.6862 0.6472 0.2941 0.105 Uiso 1 1 calc R . .
C14 C 0.7434(7) 0.5350(12) 0.2556(5) 0.106(4) Uani 1 1 d . . .
H14 H 0.7324 0.5708 0.2126 0.127 Uiso 1 1 calc R . .
C15 C 0.7876(8) 0.4352(12) 0.2700(5) 0.112(4) Uani 1 1 d . . .
H15 H 0.8051 0.4028 0.2360 0.134 Uiso 1 1 calc R . .
C16 C 0.8067(6) 0.3820(8) 0.3359(5) 0.086(3) Uani 1 1 d . . .
H16 H 0.8377 0.3156 0.3458 0.103 Uiso 1 1 calc R . .
C17 C 0.7606(4) 0.2181(6) 0.4435(4) 0.0505(17) Uani 1 1 d . . .
C18 C 0.6879(5) 0.2000(7) 0.3852(4) 0.072(2) Uani 1 1 d . . .
H18 H 0.6629 0.2598 0.3555 0.087 Uiso 1 1 calc R . .
C19 C 0.6515(6) 0.0945(9) 0.3700(5) 0.083(3) Uani 1 1 d . . .
H19 H 0.6025 0.0841 0.3303 0.099 Uiso 1 1 calc R . .
C20 C 0.6870(6) 0.0054(8) 0.4130(5) 0.081(3) Uani 1 1 d . . .
H20 H 0.6621 -0.0653 0.4036 0.097 Uiso 1 1 calc R . .
C21 C 0.7599(6) 0.0230(8) 0.4700(6) 0.083(3) Uani 1 1 d . . .
H21 H 0.7851 -0.0375 0.4990 0.099 Uiso 1 1 calc R . .
C22 C 0.7971(5) 0.1260(6) 0.4860(4) 0.060(2) Uani 1 1 d . . .
H22 H 0.8468 0.1348 0.5253 0.072 Uiso 1 1 calc R . .
C23 C 0.9186(4) 0.3461(7) 0.5074(4) 0.0582(19) Uani 1 1 d . . .
H23A H 0.9331 0.2671 0.5137 0.070 Uiso 1 1 calc R . .
H23B H 0.9407 0.3762 0.4734 0.070 Uiso 1 1 calc R . .
C24 C 0.9607(4) 0.4069(7) 0.5782(4) 0.063(2) Uani 1 1 d . . .
H24A H 0.9712 0.4847 0.5701 0.076 Uiso 1 1 calc R . .
H24B H 1.0146 0.3718 0.6051 0.076 Uiso 1 1 calc R . .
C25 C 0.9157(5) 0.2594(7) 0.6678(4) 0.065(2) Uani 1 1 d . . .
C26 C 0.8520(6) 0.1806(8) 0.6563(4) 0.078(2) Uani 1 1 d . . .
H26 H 0.7962 0.2001 0.6296 0.093 Uiso 1 1 calc R . .
C27 C 0.8701(8) 0.0710(9) 0.6843(6) 0.101(3) Uani 1 1 d . . .
H27 H 0.8276 0.0175 0.6761 0.121 Uiso 1 1 calc R . .
C28 C 0.9550(10) 0.0465(10) 0.7251(6) 0.104(4) Uani 1 1 d . . .
H28 H 0.9689 -0.0246 0.7448 0.125 Uiso 1 1 calc R . .
C29 C 1.0164(9) 0.1225(11) 0.7362(5) 0.113(4) Uani 1 1 d . . .
H29 H 1.0722 0.1034 0.7630 0.135 Uiso 1 1 calc R . .
C30 C 0.9980(6) 0.2292(8) 0.7085(4) 0.088(3) Uani 1 1 d . . .
H30 H 1.0415 0.2815 0.7174 0.105 Uiso 1 1 calc R . .
C31 C 0.9346(5) 0.4899(8) 0.7049(4) 0.070(2) Uani 1 1 d . . .
C32 C 0.9218(7) 0.4615(10) 0.7648(5) 0.101(3) Uani 1 1 d . . .
H32 H 0.8955 0.3941 0.7676 0.121 Uiso 1 1 calc R . .
C33 C 0.9503(8) 0.5394(13) 0.8255(7) 0.124(4) Uani 1 1 d . . .
H33 H 0.9445 0.5213 0.8679 0.149 Uiso 1 1 calc R . .
C34 C 0.9838(8) 0.6343(13) 0.8175(8) 0.116(4) Uani 1 1 d . . .
H34 H 0.9982 0.6858 0.8544 0.139 Uiso 1 1 calc R . .
C35 C 0.9989(8) 0.6625(10) 0.7598(7) 0.113(4) Uani 1 1 d . . .
H35 H 1.0265 0.7293 0.7582 0.136 Uiso 1 1 calc R . .
C36 C 0.9722(7) 0.5883(9) 0.7008(6) 0.101(3) Uani 1 1 d . . .
H36 H 0.9805 0.6076 0.6596 0.121 Uiso 1 1 calc R . .
C37 C 0.8137(5) 0.5799(6) 0.5379(4) 0.0566(19) Uani 1 1 d . . .
C38 C 0.8487(5) 0.6641(6) 0.5284(4) 0.061(2) Uani 1 1 d . A .
C39 C 0.8906(5) 0.7614(6) 0.5204(5) 0.060(2) Uani 1 1 d . . .
C40 C 0.9467(6) 0.9117(7) 0.4697(7) 0.080(3) Uani 1 1 d . . .
C41 C 0.9793(6) 0.9254(7) 0.5421(7) 0.084(3) Uani 1 1 d . A .
C42 C 1.0351(6) 1.0130(8) 0.5736(6) 0.083(3) Uani 1 1 d . . .
H42 H 1.0592 1.0200 0.6224 0.099 Uiso 1 1 calc R A .
C43 C 0.9000(16) 0.8148(19) 0.4674(18) 0.062(6) Uani 0.504(13) 1 d P A 1
H43 H 0.8720 0.7841 0.4229 0.075 Uiso 0.504(13) 1 calc PR A 1
S1 S 0.9559(5) 0.8259(5) 0.6015(4) 0.077(2) Uani 0.504(13) 1 d P A 1
O1 O 0.5387(11) -0.0197(15) 0.4998(9) 0.050(4) Uiso 0.25 1 d P . .


_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
Ru1 P1 2.268(2) . ?
Ru1 P2 2.2694(18) . ?
Ru1 C1 2.281(7) . ?
Ru1 C2 2.267(7) . ?
Ru1 C3 2.259(7) . ?
Ru1 C4 2.236(7) . ?
Ru1 C5 2.279(7) . ?
Ru1 C37 1.986(8) . ?
C43' H43' 0.9300 . ?
C43' C39 1.29(2) . ?
C43' C41 1.37(2) . ?
S1' C39 1.810(10) . ?
S1' C40 1.857(11) . ?
P1 C24 1.839(7) . ?
P1 C25 1.835(8) . ?
P1 C31 1.850(9) . ?
P2 C11 1.841(8) . ?
P2 C17 1.841(7) . ?
P2 C23 1.872(6) . ?
C1 C2 1.431(11) . ?
C1 C5 1.418(11) . ?
C1 C6 1.491(12) . ?
C2 C3 1.408(11) . ?
C2 C7 1.503(11) . ?
C3 C4 1.459(11) . ?
C3 C8 1.479(12) . ?
C4 C5 1.433(11) . ?
C4 C9 1.487(12) . ?
C5 C10 1.498(11) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.394(11) . ?
C11 C16 1.382(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.388(11) . ?
C13 H13 0.9300 . ?
C13 C14 1.345(14) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(15) . ?
C15 H15 0.9300 . ?
C15 C16 1.412(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.377(10) . ?
C17 C22 1.394(10) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(12) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(13) . ?
C20 H20 0.9300 . ?
C20 C21 1.365(13) . ?
C21 H21 0.9300 . ?
C21 C22 1.364(12) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.535(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.384(12) . ?
C25 C30 1.381(11) . ?
C26 H26 0.9300 . ?
C26 C27 1.414(13) . ?
C27 H27 0.9300 . ?
C27 C28 1.401(16) . ?
C28 H28 0.9300 . ?
C28 C29 1.335(16) . ?
C29 H29 0.9300 . ?
C29 C30 1.380(14) . ?
C30 H30 0.9300 . ?
C31 C32 1.358(13) . ?
C31 C36 1.352(13) . ?
C32 H32 0.9300 . ?
C32 C33 1.478(15) . ?
C33 H33 0.9300 . ?
C33 C34 1.303(17) . ?
C34 H34 0.9300 . ?
C34 C35 1.334(16) . ?
C35 H35 0.9300 . ?
C35 C36 1.425(14) . ?
C36 H36 0.9300 . ?
C37 C38 1.217(10) . ?
C38 C39 1.401(11) . ?
C39 C43 1.31(3) . ?
C39 S1 1.788(10) . ?
C40 C41 1.381(14) . ?
C40 C42 1.372(13) 3_776 ?
C40 C43 1.39(2) . ?
C41 C42 1.396(13) . ?
C41 S1 1.839(11) . ?
C42 C40 1.372(13) 3_776 ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
O1 O1 1.40(3) 3_656 ?

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
P1 Ru1 P2 82.52(7) . . ?
P1 Ru1 C1 122.9(2) . . ?
P1 Ru1 C5 102.8(2) . . ?
P2 Ru1 C1 109.0(2) . . ?
P2 Ru1 C5 141.1(2) . . ?
C2 Ru1 P1 159.6(2) . . ?
C2 Ru1 P2 102.8(2) . . ?
C2 Ru1 C1 36.7(3) . . ?
C2 Ru1 C5 60.7(3) . . ?
C3 Ru1 P1 149.1(3) . . ?
C3 Ru1 P2 126.9(2) . . ?
C3 Ru1 C1 61.3(3) . . ?
C3 Ru1 C2 36.2(3) . . ?
C3 Ru1 C5 61.6(3) . . ?
C4 Ru1 P1 113.4(2) . . ?
C4 Ru1 P2 164.0(2) . . ?
C4 Ru1 C1 61.7(3) . . ?
C4 Ru1 C2 61.7(3) . . ?
C4 Ru1 C3 37.9(3) . . ?
C4 Ru1 C5 37.0(3) . . ?
C5 Ru1 C1 36.2(3) . . ?
C37 Ru1 P1 82.3(2) . . ?
C37 Ru1 P2 86.0(2) . . ?
C37 Ru1 C1 151.3(3) . . ?
C37 Ru1 C2 117.5(3) . . ?
C37 Ru1 C3 90.0(3) . . ?
C37 Ru1 C4 97.4(3) . . ?
C37 Ru1 C5 132.8(3) . . ?
C39 C43' H43' 115.1 . . ?
C39 C43' C41 130(2) . . ?
C41 C43' H43' 115.1 . . ?
C39 S1' C40 82.9(5) . . ?
C24 P1 Ru1 108.7(3) . . ?
C24 P1 C31 106.1(4) . . ?
C25 P1 Ru1 122.5(3) . . ?
C25 P1 C24 101.0(4) . . ?
C25 P1 C31 100.6(4) . . ?
C31 P1 Ru1 116.0(2) . . ?
C11 P2 Ru1 119.9(3) . . ?
C11 P2 C17 101.0(3) . . ?
C11 P2 C23 102.6(3) . . ?
C17 P2 Ru1 116.2(2) . . ?
C17 P2 C23 104.5(3) . . ?
C23 P2 Ru1 110.7(2) . . ?
C2 C1 Ru1 71.2(4) . . ?
C2 C1 C6 125.0(8) . . ?
C5 C1 Ru1 71.8(4) . . ?
C5 C1 C2 107.6(7) . . ?
C5 C1 C6 126.8(8) . . ?
C6 C1 Ru1 129.1(5) . . ?
C1 C2 Ru1 72.2(4) . . ?
C1 C2 C7 126.4(9) . . ?
C3 C2 Ru1 71.5(4) . . ?
C3 C2 C1 109.3(7) . . ?
C3 C2 C7 123.7(8) . . ?
C7 C2 Ru1 129.7(5) . . ?
C2 C3 Ru1 72.2(4) . . ?
C2 C3 C4 107.4(7) . . ?
C2 C3 C8 127.9(9) . . ?
C4 C3 Ru1 70.2(4) . . ?
C4 C3 C8 124.7(9) . . ?
C8 C3 Ru1 125.6(5) . . ?
C3 C4 Ru1 71.9(4) . . ?
C3 C4 C9 124.8(8) . . ?
C5 C4 Ru1 73.1(4) . . ?
C5 C4 C3 107.0(7) . . ?
C5 C4 C9 127.9(8) . . ?
C9 C4 Ru1 125.3(6) . . ?
C1 C5 Ru1 71.9(4) . . ?
C1 C5 C4 108.7(7) . . ?
C1 C5 C10 126.2(8) . . ?
C4 C5 Ru1 69.9(4) . . ?
C4 C5 C10 124.5(8) . . ?
C10 C5 Ru1 130.8(5) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 120.4(6) . . ?
C16 C11 P2 121.3(6) . . ?
C16 C11 C12 118.4(8) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.7(8) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 121.1(10) . . ?
C14 C13 H13 119.5 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(9) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(10) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 119.7(9) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 P2 121.3(6) . . ?
C18 C17 C22 117.7(7) . . ?
C22 C17 P2 120.5(5) . . ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 121.2(8) . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.5(8) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.2(9) . . ?
C21 C20 H20 120.9 . . ?
C20 C21 H21 118.8 . . ?
C22 C21 C20 122.4(9) . . ?
C22 C21 H21 118.8 . . ?
C17 C22 H22 120.0 . . ?
C21 C22 C17 120.0(8) . . ?
C21 C22 H22 120.0 . . ?
P2 C23 H23A 109.1 . . ?
P2 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C24 C23 P2 112.5(4) . . ?
C24 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
P1 C24 H24A 110.1 . . ?
P1 C24 H24B 110.1 . . ?
C23 C24 P1 107.9(4) . . ?
C23 C24 H24A 110.1 . . ?
C23 C24 H24B 110.1 . . ?
H24A C24 H24B 108.4 . . ?
C26 C25 P1 119.0(6) . . ?
C30 C25 P1 122.5(8) . . ?
C30 C25 C26 118.4(9) . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.2(10) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 121.5 . . ?
C28 C27 C26 117.1(11) . . ?
C28 C27 H27 121.5 . . ?
C27 C28 H28 119.2 . . ?
C29 C28 C27 121.6(11) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.8(12) . . ?
C30 C29 H29 119.6 . . ?
C25 C30 H30 119.6 . . ?
C29 C30 C25 120.8(11) . . ?
C29 C30 H30 119.6 . . ?
C32 C31 P1 118.0(8) . . ?
C36 C31 P1 121.2(8) . . ?
C36 C31 C32 120.5(9) . . ?
C31 C32 H32 120.6 . . ?
C31 C32 C33 118.9(12) . . ?
C33 C32 H32 120.6 . . ?
C32 C33 H33 121.1 . . ?
C34 C33 C32 117.7(13) . . ?
C34 C33 H33 121.1 . . ?
C33 C34 H34 117.9 . . ?
C33 C34 C35 124.1(14) . . ?
C35 C34 H34 117.9 . . ?
C34 C35 H35 120.6 . . ?
C34 C35 C36 118.9(13) . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C35 119.8(12) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C38 C37 Ru1 179.4(8) . . ?
C37 C38 C39 177.7(9) . . ?
C43' C39 S1' 108.4(13) . . ?
C43' C39 C38 138.1(14) . . ?
C43' C39 C43 85.9(15) . . ?
C43' C39 S1 23.5(12) . . ?
C38 C39 S1' 113.4(7) . . ?
C38 C39 S1 114.6(7) . . ?
C43 C39 S1' 22.6(13) . . ?
C43 C39 C38 135.8(14) . . ?
C43 C39 S1 109.4(14) . . ?
S1 C39 S1' 131.9(5) . . ?
C41 C40 S1' 120.1(8) . . ?
C41 C40 C43 97.7(16) . . ?
C42 C40 S1' 118.9(10) 3_776 . ?
C42 C40 C41 120.9(9) 3_776 . ?
C42 C40 C43 141.4(16) 3_776 . ?
C43 C40 S1' 22.6(13) . . ?
C43' C41 C40 98.6(15) . . ?
C43' C41 C42 140.3(16) . . ?
C43' C41 S1 23.3(12) . . ?
C40 C41 C42 121.1(9) . . ?
C40 C41 S1 121.9(8) . . ?
C42 C41 S1 117.0(9) . . ?
C40 C42 C41 118.0(10) 3_776 . ?
C40 C42 H42 121.0 3_776 . ?
C41 C42 H42 121.0 . . ?
C39 C43 C40 128(3) . . ?
C39 C43 H43 116.1 . . ?
C40 C43 H43 116.1 . . ?
C39 S1 C41 83.0(5) . . ?

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 P1 C24 C23 -46.4(6) . . . . ?
Ru1 P1 C25 C26 -3.8(7) . . . . ?
Ru1 P1 C25 C30 174.5(6) . . . . ?
Ru1 P1 C31 C32 90.4(7) . . . . ?
Ru1 P1 C31 C36 -82.7(7) . . . . ?
Ru1 P2 C11 C12 -2.6(7) . . . . ?
Ru1 P2 C11 C16 179.0(6) . . . . ?
Ru1 P2 C17 C18 92.4(6) . . . . ?
Ru1 P2 C17 C22 -79.2(6) . . . . ?
Ru1 P2 C23 C24 -8.3(6) . . . . ?
Ru1 C1 C2 C3 -62.3(5) . . . . ?
Ru1 C1 C2 C7 126.6(7) . . . . ?
Ru1 C1 C5 C4 60.5(5) . . . . ?
Ru1 C1 C5 C10 -127.8(7) . . . . ?
Ru1 C2 C3 C4 -61.8(4) . . . . ?
Ru1 C2 C3 C8 121.6(7) . . . . ?
Ru1 C3 C4 C5 -65.2(5) . . . . ?
Ru1 C3 C4 C9 120.9(7) . . . . ?
Ru1 C4 C5 C1 -61.8(5) . . . . ?
Ru1 C4 C5 C10 126.3(7) . . . . ?
Ru1 C37 C38 C39 154(59) . . . . ?
C43' C39 C43 C40 -3.1(19) . . . . ?
C43' C39 S1 C41 -1(2) . . . . ?
C43' C41 C42 C40 -179.6(15) . . . 3_776 ?
C43' C41 S1 C39 1(2) . . . . ?
S1' C39 C43 C40 171(4) . . . . ?
S1' C39 S1 C41 1.5(7) . . . . ?
S1' C40 C41 C43' 2.6(12) . . . . ?
S1' C40 C41 C42 -179.2(7) . . . . ?
S1' C40 C41 S1 4.1(11) . . . . ?
S1' C40 C43 C39 -171(4) . . . . ?
P1 Ru1 P2 C11 -134.5(3) . . . . ?
P1 Ru1 P2 C17 103.5(3) . . . . ?
P1 Ru1 P2 C23 -15.4(3) . . . . ?
P1 Ru1 C1 C2 -179.4(4) . . . . ?
P1 Ru1 C1 C5 64.0(5) . . . . ?
P1 Ru1 C1 C6 -59.1(9) . . . . ?
P1 Ru1 C2 C1 1.5(9) . . . . ?
P1 Ru1 C2 C3 119.7(7) . . . . ?
P1 Ru1 C2 C7 -121.4(8) . . . . ?
P1 Ru1 C3 C2 -143.9(4) . . . . ?
P1 Ru1 C3 C4 -27.2(7) . . . . ?
P1 Ru1 C3 C8 91.9(9) . . . . ?
P1 Ru1 C4 C3 165.2(4) . . . . ?
P1 Ru1 C4 C5 -80.0(5) . . . . ?
P1 Ru1 C4 C9 44.9(8) . . . . ?
P1 Ru1 C5 C1 -129.3(4) . . . . ?
P1 Ru1 C5 C4 112.1(4) . . . . ?
P1 Ru1 C5 C10 -6.6(8) . . . . ?
P1 Ru1 C37 C38 159(100) . . . . ?
P1 C25 C26 C27 177.5(7) . . . . ?
P1 C25 C30 C29 -177.5(7) . . . . ?
P1 C31 C32 C33 -173.8(8) . . . . ?
P1 C31 C36 C35 173.3(8) . . . . ?
P2 Ru1 P1 C24 32.6(3) . . . . ?
P2 Ru1 P1 C25 -84.3(3) . . . . ?
P2 Ru1 P1 C31 152.0(4) . . . . ?
P2 Ru1 C1 C2 -86.0(5) . . . . ?
P2 Ru1 C1 C5 157.4(4) . . . . ?
P2 Ru1 C1 C6 34.3(9) . . . . ?
P2 Ru1 C2 C1 104.7(4) . . . . ?
P2 Ru1 C2 C3 -137.1(4) . . . . ?
P2 Ru1 C2 C7 -18.2(9) . . . . ?
P2 Ru1 C3 C2 56.2(5) . . . . ?
P2 Ru1 C3 C4 172.9(4) . . . . ?
P2 Ru1 C3 C8 -68.1(9) . . . . ?
P2 Ru1 C4 C3 -21.1(11) . . . . ?
P2 Ru1 C4 C5 93.7(9) . . . . ?
P2 Ru1 C4 C9 -141.4(7) . . . . ?
P2 Ru1 C5 C1 -35.4(6) . . . . ?
P2 Ru1 C5 C4 -154.0(4) . . . . ?
P2 Ru1 C5 C10 87.3(8) . . . . ?
P2 Ru1 C37 C38 76(70) . . . . ?
P2 C11 C12 C13 -179.8(7) . . . . ?
P2 C11 C16 C15 178.5(8) . . . . ?
P2 C17 C18 C19 -170.6(6) . . . . ?
P2 C17 C22 C21 170.5(6) . . . . ?
P2 C23 C24 P1 33.6(7) . . . . ?
C1 Ru1 P1 C24 140.5(4) . . . . ?
C1 Ru1 P1 C25 23.5(4) . . . . ?
C1 Ru1 P1 C31 -100.1(4) . . . . ?
C1 Ru1 P2 C11 103.2(4) . . . . ?
C1 Ru1 P2 C17 -18.7(3) . . . . ?
C1 Ru1 P2 C23 -137.7(4) . . . . ?
C1 Ru1 C2 C3 118.3(7) . . . . ?
C1 Ru1 C2 C7 -122.9(11) . . . . ?
C1 Ru1 C3 C2 -36.8(4) . . . . ?
C1 Ru1 C3 C4 79.8(5) . . . . ?
C1 Ru1 C3 C8 -161.1(10) . . . . ?
C1 Ru1 C4 C3 -78.7(5) . . . . ?
C1 Ru1 C4 C5 36.1(4) . . . . ?
C1 Ru1 C4 C9 161.0(9) . . . . ?
C1 Ru1 C5 C4 -118.6(7) . . . . ?
C1 Ru1 C5 C10 122.7(10) . . . . ?
C1 Ru1 C37 C38 -48(71) . . . . ?
C1 C2 C3 Ru1 62.7(5) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
C1 C2 C3 C8 -175.7(7) . . . . ?
C2 Ru1 P1 C24 139.4(7) . . . . ?
C2 Ru1 P1 C25 22.5(7) . . . . ?
C2 Ru1 P1 C31 -101.2(7) . . . . ?
C2 Ru1 P2 C11 65.6(4) . . . . ?
C2 Ru1 P2 C17 -56.4(3) . . . . ?
C2 Ru1 P2 C23 -175.3(4) . . . . ?
C2 Ru1 C1 C5 -116.6(7) . . . . ?
C2 Ru1 C1 C6 120.3(10) . . . . ?
C2 Ru1 C3 C4 116.7(7) . . . . ?
C2 Ru1 C3 C8 -124.3(11) . . . . ?
C2 Ru1 C4 C3 -36.9(4) . . . . ?
C2 Ru1 C4 C5 78.0(5) . . . . ?
C2 Ru1 C4 C9 -157.2(9) . . . . ?
C2 Ru1 C5 C1 37.8(5) . . . . ?
C2 Ru1 C5 C4 -80.9(5) . . . . ?
C2 Ru1 C5 C10 160.4(9) . . . . ?
C2 Ru1 C37 C38 -27(70) . . . . ?
C2 C1 C5 Ru1 -62.6(4) . . . . ?
C2 C1 C5 C4 -2.1(7) . . . . ?
C2 C1 C5 C10 169.6(6) . . . . ?
C2 C3 C4 Ru1 63.1(5) . . . . ?
C2 C3 C4 C5 -2.2(7) . . . . ?
C2 C3 C4 C9 -176.0(7) . . . . ?
C3 Ru1 P1 C24 -131.3(5) . . . . ?
C3 Ru1 P1 C25 111.8(5) . . . . ?
C3 Ru1 P1 C31 -11.9(6) . . . . ?
C3 Ru1 P2 C11 35.3(4) . . . . ?
C3 Ru1 P2 C17 -86.7(4) . . . . ?
C3 Ru1 P2 C23 154.4(4) . . . . ?
C3 Ru1 C1 C2 36.4(4) . . . . ?
C3 Ru1 C1 C5 -80.2(5) . . . . ?
C3 Ru1 C1 C6 156.7(9) . . . . ?
C3 Ru1 C2 C1 -118.3(7) . . . . ?
C3 Ru1 C2 C7 118.9(11) . . . . ?
C3 Ru1 C4 C5 114.8(7) . . . . ?
C3 Ru1 C4 C9 -120.3(10) . . . . ?
C3 Ru1 C5 C1 79.3(5) . . . . ?
C3 Ru1 C5 C4 -39.3(5) . . . . ?
C3 Ru1 C5 C10 -158.0(9) . . . . ?
C3 Ru1 C37 C38 -51(70) . . . . ?
C3 C4 C5 Ru1 64.4(4) . . . . ?
C3 C4 C5 C1 2.6(7) . . . . ?
C3 C4 C5 C10 -169.3(6) . . . . ?
C4 Ru1 P1 C24 -149.1(4) . . . . ?
C4 Ru1 P1 C25 94.0(4) . . . . ?
C4 Ru1 P1 C31 -29.7(4) . . . . ?
C4 Ru1 P2 C11 51.4(9) . . . . ?
C4 Ru1 P2 C17 -70.6(8) . . . . ?
C4 Ru1 P2 C23 170.5(8) . . . . ?
C4 Ru1 C1 C2 79.7(5) . . . . ?
C4 Ru1 C1 C5 -36.8(5) . . . . ?
C4 Ru1 C1 C6 -160.0(9) . . . . ?
C4 Ru1 C2 C1 -79.7(5) . . . . ?
C4 Ru1 C2 C3 38.5(5) . . . . ?
C4 Ru1 C2 C7 157.4(10) . . . . ?
C4 Ru1 C3 C2 -116.7(7) . . . . ?
C4 Ru1 C3 C8 119.1(11) . . . . ?
C4 Ru1 C5 C1 118.6(7) . . . . ?
C4 Ru1 C5 C10 -118.7(10) . . . . ?
C4 Ru1 C37 C38 -89(70) . . . . ?
C5 Ru1 P1 C24 173.5(4) . . . . ?
C5 Ru1 P1 C25 56.6(4) . . . . ?
C5 Ru1 P1 C31 -67.1(4) . . . . ?
C5 Ru1 P2 C11 124.5(4) . . . . ?
C5 Ru1 P2 C17 2.5(4) . . . . ?
C5 Ru1 P2 C23 -116.4(4) . . . . ?
C5 Ru1 C1 C2 116.6(7) . . . . ?
C5 Ru1 C1 C6 -123.1(10) . . . . ?
C5 Ru1 C2 C1 -37.3(4) . . . . ?
C5 Ru1 C2 C3 81.0(5) . . . . ?
C5 Ru1 C2 C7 -160.2(10) . . . . ?
C5 Ru1 C3 C2 -78.3(5) . . . . ?
C5 Ru1 C3 C4 38.4(5) . . . . ?
C5 Ru1 C3 C8 157.4(10) . . . . ?
C5 Ru1 C4 C3 -114.8(7) . . . . ?
C5 Ru1 C4 C9 124.9(10) . . . . ?
C5 Ru1 C37 C38 -101(70) . . . . ?
C5 C1 C2 Ru1 63.0(4) . . . . ?
C5 C1 C2 C3 0.7(7) . . . . ?
C5 C1 C2 C7 -170.4(7) . . . . ?
C6 C1 C2 Ru1 -125.1(7) . . . . ?
C6 C1 C2 C3 172.6(7) . . . . ?
C6 C1 C2 C7 1.5(11) . . . . ?
C6 C1 C5 Ru1 125.7(7) . . . . ?
C6 C1 C5 C4 -173.8(7) . . . . ?
C6 C1 C5 C10 -2.1(11) . . . . ?
C7 C2 C3 Ru1 -125.9(7) . . . . ?
C7 C2 C3 C4 172.3(6) . . . . ?
C7 C2 C3 C8 -4.3(11) . . . . ?
C8 C3 C4 Ru1 -120.2(7) . . . . ?
C8 C3 C4 C5 174.6(7) . . . . ?
C8 C3 C4 C9 0.8(11) . . . . ?
C9 C4 C5 Ru1 -122.0(8) . . . . ?
C9 C4 C5 C1 176.2(7) . . . . ?
C9 C4 C5 C10 4.3(12) . . . . ?
C11 P2 C17 C18 -39.1(7) . . . . ?
C11 P2 C17 C22 149.3(6) . . . . ?
C11 P2 C23 C24 120.8(6) . . . . ?
C11 C12 C13 C14 1.1(15) . . . . ?
C12 C11 C16 C15 0.1(14) . . . . ?
C12 C13 C14 C15 0.5(17) . . . . ?
C13 C14 C15 C16 -1.8(18) . . . . ?
C14 C15 C16 C11 1.5(17) . . . . ?
C16 C11 C12 C13 -1.4(12) . . . . ?
C17 P2 C11 C12 126.6(6) . . . . ?
C17 P2 C11 C16 -51.8(8) . . . . ?
C17 P2 C23 C24 -134.2(6) . . . . ?
C17 C18 C19 C20 0.2(13) . . . . ?
C18 C17 C22 C21 -1.3(11) . . . . ?
C18 C19 C20 C21 -1.4(14) . . . . ?
C19 C20 C21 C22 1.3(14) . . . . ?
C20 C21 C22 C17 0.1(13) . . . . ?
C22 C17 C18 C19 1.2(12) . . . . ?
C23 P2 C11 C12 -125.7(6) . . . . ?
C23 P2 C11 C16 55.9(8) . . . . ?
C23 P2 C17 C18 -145.4(6) . . . . ?
C23 P2 C17 C22 43.1(6) . . . . ?
C24 P1 C25 C26 -124.5(6) . . . . ?
C24 P1 C25 C30 53.9(7) . . . . ?
C24 P1 C31 C32 -148.8(7) . . . . ?
C24 P1 C31 C36 38.1(8) . . . . ?
C25 P1 C24 C23 83.5(6) . . . . ?
C25 P1 C31 C32 -44.0(8) . . . . ?
C25 P1 C31 C36 142.9(7) . . . . ?
C25 C26 C27 C28 1.0(13) . . . . ?
C26 C25 C30 C29 0.9(13) . . . . ?
C26 C27 C28 C29 -0.9(16) . . . . ?
C27 C28 C29 C30 0.8(18) . . . . ?
C28 C29 C30 C25 -0.8(16) . . . . ?
C30 C25 C26 C27 -1.0(12) . . . . ?
C31 P1 C24 C23 -171.9(5) . . . . ?
C31 P1 C25 C26 126.7(7) . . . . ?
C31 P1 C25 C30 -55.0(7) . . . . ?
C31 C32 C33 C34 2.5(17) . . . . ?
C32 C31 C36 C35 0.3(14) . . . . ?
C32 C33 C34 C35 -4(2) . . . . ?
C33 C34 C35 C36 4(2) . . . . ?
C34 C35 C36 C31 -2.0(17) . . . . ?
C36 C31 C32 C33 -0.6(14) . . . . ?
C37 Ru1 P1 C24 -54.3(3) . . . . ?
C37 Ru1 P1 C25 -171.2(4) . . . . ?
C37 Ru1 P1 C31 65.1(4) . . . . ?
C37 Ru1 P2 C11 -51.7(4) . . . . ?
C37 Ru1 P2 C17 -173.7(3) . . . . ?
C37 Ru1 P2 C23 67.4(4) . . . . ?
C37 Ru1 C1 C2 32.4(8) . . . . ?
C37 Ru1 C1 C5 -84.2(8) . . . . ?
C37 Ru1 C1 C6 152.7(8) . . . . ?
C37 Ru1 C2 C1 -163.2(5) . . . . ?
C37 Ru1 C2 C3 -44.9(5) . . . . ?
C37 Ru1 C2 C7 74.0(10) . . . . ?
C37 Ru1 C3 C2 141.2(5) . . . . ?
C37 Ru1 C3 C4 -102.1(5) . . . . ?
C37 Ru1 C3 C8 16.9(9) . . . . ?
C37 Ru1 C4 C3 80.4(5) . . . . ?
C37 Ru1 C4 C5 -164.8(5) . . . . ?
C37 Ru1 C4 C9 -39.9(8) . . . . ?
C37 Ru1 C5 C1 139.4(5) . . . . ?
C37 Ru1 C5 C4 20.8(6) . . . . ?
C37 Ru1 C5 C10 -97.9(9) . . . . ?
C37 C38 C39 C43' -2(20) . . . . ?
C37 C38 C39 S1' 176(100) . . . . ?
C37 C38 C39 C43 171(19) . . . . ?
C37 C38 C39 S1 -2(20) . . . . ?
C38 C39 C43 C40 -178.4(11) . . . . ?
C38 C39 S1 C41 178.8(6) . . . . ?
C39 C43' C41 C40 -2(2) . . . . ?
C39 C43' C41 C42 -179.6(13) . . . . ?
C39 C43' C41 S1 -179(4) . . . . ?
C39 S1' C40 C41 -2.3(8) . . . . ?
C39 S1' C40 C42 -178.2(7) . . . 3_776 ?
C39 S1' C40 C43 5(2) . . . . ?
C40 S1' C39 C43' 0.9(10) . . . . ?
C40 S1' C39 C38 -177.3(6) . . . . ?
C40 S1' C39 C43 -5(2) . . . . ?
C40 S1' C39 S1 0.0(7) . . . . ?
C40 C41 C42 C40 3.3(14) . . . 3_776 ?
C40 C41 S1 C39 -3.0(8) . . . . ?
C41 C43' C39 S1' 0(2) . . . . ?
C41 C43' C39 C38 178.1(11) . . . . ?
C41 C43' C39 C43 3(2) . . . . ?
C41 C43' C39 S1 179(4) . . . . ?
C41 C40 C43 C39 2(2) . . . . ?
C42 C40 C41 C43' 178.5(11) 3_776 . . . ?
C42 C40 C41 C42 -3.4(15) 3_776 . . . ?
C42 C40 C41 S1 179.9(7) 3_776 . . . ?
C42 C40 C43 C39 -175.8(12) 3_776 . . . ?
C42 C41 S1 C39 -179.9(7) . . . . ?
C43 C39 S1 C41 3.7(10) . . . . ?
C43 C40 C41 C43' -0.2(13) . . . . ?
C43 C40 C41 C42 177.9(11) . . . . ?
C43 C40 C41 S1 1.2(12) . . . . ?
S1 C39 C43 C40 -5(2) . . . . ?
S1 C41 C42 C40 -179.9(7) . . . 3_776 ?

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane/CH2Cl2'
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# 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_e_111031g_work_mo_111031g_0m
_database_code_depnum_ccdc_archive 'CCDC 1429882'
_audit_update_record             
;
2015-10-06 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C138 H135 Cl4 P6 Ru3 S3'
_chemical_formula_weight         2520.47

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.848(3)
_cell_length_b                   16.508(3)
_cell_length_c                   28.270(6)
_cell_angle_alpha                87.931(4)
_cell_angle_beta                 77.753(4)
_cell_angle_gamma                76.060(3)
_cell_volume                     6129(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7739
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      24.31

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2602
_exptl_absorpt_coefficient_mu    0.632
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.8683
_exptl_absorpt_correction_T_max  0.9875
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40240
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.46
_diffrn_reflns_theta_max         25.50
_reflns_number_total             22489
_reflns_number_gt                14871
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1534P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         22489
_refine_ls_number_parameters     1409
_refine_ls_number_restraints     59
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0741
_refine_ls_wR_factor_ref         0.2413
_refine_ls_wR_factor_gt          0.2044
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.36588(4) 0.28449(3) 0.477123(17) 0.02615(14) Uani 1 1 d . . .
Ru2 Ru -0.09310(4) 1.15305(3) 0.783767(18) 0.03176(15) Uani 1 1 d . . .
Ru3 Ru 0.57452(4) 0.72017(3) 0.94524(2) 0.03844(17) Uani 1 1 d . . .
C1 C 0.2945(5) 0.4642(4) 0.4116(2) 0.0355(15) Uani 1 1 d . . .
C2 C 0.2530(6) 0.4601(5) 0.3705(3) 0.055(2) Uani 1 1 d . . .
H2 H 0.2847 0.4183 0.3473 0.067 Uiso 1 1 calc R . .
C3 C 0.1690(8) 0.5155(7) 0.3646(4) 0.077(3) Uani 1 1 d . . .
H3 H 0.1452 0.5123 0.3365 0.093 Uiso 1 1 calc R . .
C4 C 0.1166(7) 0.5764(7) 0.3978(4) 0.076(3) Uani 1 1 d . . .
H4 H 0.0584 0.6143 0.3925 0.091 Uiso 1 1 calc R . .
C5 C 0.1509(8) 0.5805(6) 0.4382(4) 0.076(3) Uani 1 1 d . . .
H5 H 0.1138 0.6204 0.4618 0.091 Uiso 1 1 calc R . .
C6 C 0.2404(5) 0.5269(4) 0.4464(3) 0.0432(17) Uani 1 1 d . . .
H6 H 0.2639 0.5325 0.4742 0.052 Uiso 1 1 calc R . .
C7 C 0.4767(5) 0.3555(4) 0.3624(2) 0.0368(15) Uani 1 1 d . . .
C8 C 0.4969(6) 0.4157(5) 0.3285(3) 0.0521(19) Uani 1 1 d . . .
H8 H 0.4749 0.4721 0.3370 0.062 Uiso 1 1 calc R . .
C9 C 0.5508(7) 0.3908(7) 0.2812(3) 0.068(3) Uani 1 1 d . . .
H9 H 0.5641 0.4306 0.2582 0.082 Uiso 1 1 calc R . .
C10 C 0.5844(7) 0.3058(7) 0.2693(3) 0.070(3) Uani 1 1 d . . .
H10 H 0.6189 0.2889 0.2379 0.084 Uiso 1 1 calc R . .
C11 C 0.5671(7) 0.2483(6) 0.3027(3) 0.064(2) Uani 1 1 d . . .
H11 H 0.5911 0.1919 0.2946 0.077 Uiso 1 1 calc R . .
C12 C 0.5137(6) 0.2729(4) 0.3490(3) 0.0455(17) Uani 1 1 d . . .
H12 H 0.5023 0.2322 0.3717 0.055 Uiso 1 1 calc R . .
C13 C 0.4812(5) 0.4396(4) 0.4487(2) 0.0353(14) Uani 1 1 d . . .
H13A H 0.5076 0.4769 0.4249 0.042 Uiso 1 1 calc R . .
H13B H 0.4416 0.4721 0.4772 0.042 Uiso 1 1 calc R . .
C14 C 0.5694(5) 0.3712(4) 0.4619(2) 0.0370(15) Uani 1 1 d . . .
H14A H 0.6042 0.3953 0.4821 0.044 Uiso 1 1 calc R . .
H14B H 0.6182 0.3489 0.4326 0.044 Uiso 1 1 calc R . .
C15 C 0.5234(5) 0.3023(4) 0.5590(2) 0.0370(15) Uani 1 1 d . . .
C16 C 0.6046(7) 0.3246(5) 0.5705(3) 0.053(2) Uani 1 1 d . . .
H16 H 0.6592 0.3298 0.5459 0.064 Uiso 1 1 calc R . .
C17 C 0.6072(8) 0.3395(5) 0.6180(3) 0.066(3) Uani 1 1 d . . .
H17 H 0.6629 0.3546 0.6254 0.079 Uiso 1 1 calc R . .
C18 C 0.5260(10) 0.3317(6) 0.6542(3) 0.080(3) Uani 1 1 d . . .
H18 H 0.5258 0.3427 0.6863 0.096 Uiso 1 1 calc R . .
C19 C 0.4447(9) 0.3075(6) 0.6426(3) 0.077(3) Uani 1 1 d . . .
H19 H 0.3914 0.2999 0.6673 0.092 Uiso 1 1 calc R . .
C20 C 0.4418(6) 0.2947(5) 0.5961(2) 0.0459(18) Uani 1 1 d . . .
H20 H 0.3854 0.2807 0.5888 0.055 Uiso 1 1 calc R . .
C21 C 0.6269(5) 0.1926(4) 0.4787(2) 0.0381(15) Uani 1 1 d . . .
C22 C 0.6471(6) 0.1331(4) 0.5131(3) 0.053(2) Uani 1 1 d . . .
H22 H 0.6108 0.1408 0.5450 0.064 Uiso 1 1 calc R . .
C23 C 0.7243(7) 0.0607(5) 0.4986(4) 0.074(3) Uani 1 1 d . . .
H23 H 0.7395 0.0205 0.5216 0.089 Uiso 1 1 calc R . .
C24 C 0.7767(7) 0.0477(6) 0.4528(5) 0.077(3) Uani 1 1 d . . .
H24 H 0.8260 -0.0016 0.4440 0.093 Uiso 1 1 calc R . .
C25 C 0.7576(7) 0.1052(6) 0.4205(4) 0.070(3) Uani 1 1 d . . .
H25 H 0.7962 0.0969 0.3891 0.084 Uiso 1 1 calc R . .
C26 C 0.6824(6) 0.1775(5) 0.4316(3) 0.054(2) Uani 1 1 d . . .
H26 H 0.6688 0.2160 0.4075 0.064 Uiso 1 1 calc R . .
C27 C 0.2882(5) 0.2161(4) 0.4341(3) 0.0396(16) Uani 1 1 d . . .
C28 C 0.3665(5) 0.1563(4) 0.4512(2) 0.0337(14) Uani 1 1 d . . .
C29 C 0.3428(6) 0.1585(4) 0.5022(3) 0.0396(16) Uani 1 1 d . . .
C30 C 0.2494(6) 0.2191(4) 0.5176(3) 0.0445(17) Uani 1 1 d . . .
C31 C 0.2177(5) 0.2564(4) 0.4757(3) 0.0409(16) Uani 1 1 d . . .
C32 C 0.4493(6) 0.0912(4) 0.4212(3) 0.0497(19) Uani 1 1 d . . .
H32A H 0.5125 0.0888 0.4307 0.075 Uiso 1 1 calc R . .
H32B H 0.4557 0.1054 0.3876 0.075 Uiso 1 1 calc R . .
H32C H 0.4329 0.0379 0.4260 0.075 Uiso 1 1 calc R . .
C33 C 0.3975(7) 0.0988(4) 0.5341(3) 0.054(2) Uani 1 1 d . . .
H33A H 0.3599 0.0575 0.5452 0.080 Uiso 1 1 calc R . .
H33B H 0.4038 0.1286 0.5614 0.080 Uiso 1 1 calc R . .
H33C H 0.4640 0.0720 0.5162 0.080 Uiso 1 1 calc R . .
C34 C 0.1913(7) 0.2363(6) 0.5686(3) 0.063(2) Uani 1 1 d . . .
H34A H 0.1501 0.1967 0.5776 0.094 Uiso 1 1 calc R . .
H34B H 0.1484 0.2918 0.5712 0.094 Uiso 1 1 calc R . .
H34C H 0.2380 0.2313 0.5898 0.094 Uiso 1 1 calc R . .
C35 C 0.1209(6) 0.3226(5) 0.4749(4) 0.066(2) Uani 1 1 d . . .
H35A H 0.1270 0.3496 0.4441 0.098 Uiso 1 1 calc R . .
H35B H 0.1101 0.3631 0.5002 0.098 Uiso 1 1 calc R . .
H35C H 0.0643 0.2970 0.4799 0.098 Uiso 1 1 calc R . .
C36 C 0.2769(7) 0.2271(6) 0.3831(3) 0.062(2) Uani 1 1 d . . .
H36A H 0.2356 0.1918 0.3762 0.092 Uiso 1 1 calc R . .
H36B H 0.3427 0.2123 0.3619 0.092 Uiso 1 1 calc R . .
H36C H 0.2449 0.2843 0.3782 0.092 Uiso 1 1 calc R . .
C37 C 0.3062(5) 0.3822(4) 0.5236(2) 0.0374(15) Uani 1 1 d . A .
C38 C 0.2691(6) 0.4375(4) 0.5520(2) 0.0426(17) Uani 1 1 d D . .
C39 C 0.2178(5) 0.5088(4) 0.5830(2) 0.0385(16) Uani 0.76 1 d PD A 1
C40 C 0.2540(7) 0.5466(5) 0.6152(3) 0.038(3) Uani 0.76 1 d PD A 1
H40 H 0.3146 0.5225 0.6248 0.046 Uiso 0.76 1 calc PR A 1
S1 S 0.1048(2) 0.57190(16) 0.57299(10) 0.0502(7) Uani 0.76 1 d PD A 1
C41 C 0.1918(4) 0.6258(2) 0.63300(17) 0.0312(19) Uani 0.76 1 d PGD A 1
C42 C 0.1062(4) 0.6483(3) 0.61274(15) 0.038(2) Uani 0.76 1 d PGD A 1
C43 C 0.0369(4) 0.7244(3) 0.6252(2) 0.054(2) Uani 0.76 1 d PGD A 1
H43 H -0.0204 0.7394 0.6116 0.064 Uiso 0.76 1 calc PR A 1
C44 C 0.0531(5) 0.7780(3) 0.6579(2) 0.0456(19) Uani 0.76 1 d PGD A 1
C45 C 0.1388(6) 0.7555(3) 0.67812(18) 0.0462(19) Uani 0.76 1 d PGD A 1
C46 C 0.2081(4) 0.6794(4) 0.66569(18) 0.041(2) Uani 0.76 1 d PGD A 1
H46 H 0.2654 0.6643 0.6792 0.050 Uiso 0.76 1 calc PR A 1
C47 C -0.0100(10) 0.8580(6) 0.6739(4) 0.088(3) Uani 0.76 1 d PD A 1
H47 H -0.0701 0.8818 0.6638 0.106 Uiso 0.76 1 calc PR A 1
C48 C 0.0278(6) 0.8960(4) 0.7059(3) 0.0456(19) Uani 0.76 1 d PD A 1
S2 S 0.1433(2) 0.83328(16) 0.71707(12) 0.0539(7) Uani 0.76 1 d PD A 1
C39' C 0.2217(12) 0.5091(9) 0.5832(7) 0.0385(16) Uani 0.24 1 d PD A 2
C40' C 0.1407(13) 0.5749(12) 0.5795(7) 0.0502(7) Uani 0.24 1 d PD A 2
H40' H 0.0979 0.5768 0.5579 0.060 Uiso 0.24 1 calc PR A 2
S1' S 0.2815(7) 0.5288(5) 0.6262(3) 0.036(2) Uani 0.24 1 d PD A 2
C41' C 0.1321(14) 0.6406(8) 0.6138(6) 0.038(2) Uani 0.24 1 d PGD A 2
C42' C 0.2040(12) 0.6255(6) 0.6427(6) 0.0312(19) Uani 0.24 1 d PGD A 2
C43' C 0.2019(13) 0.6850(10) 0.6767(7) 0.041(2) Uani 0.24 1 d PGD A 2
H43' H 0.2500 0.6749 0.6960 0.050 Uiso 0.24 1 calc PR A 2
C44' C 0.1279(15) 0.7597(8) 0.6817(7) 0.0462(19) Uani 0.24 1 d PGD A 2
C45' C 0.0560(13) 0.7748(6) 0.6528(7) 0.0456(19) Uani 0.24 1 d PGD A 2
C46' C 0.0581(13) 0.7153(10) 0.6189(7) 0.054(2) Uani 0.24 1 d PGD A 2
H46' H 0.0099 0.7254 0.5996 0.064 Uiso 0.24 1 calc PR A 2
C47' C 0.1142(17) 0.8284(10) 0.7146(8) 0.0539(7) Uani 0.24 1 d PD A 2
H47' H 0.1555 0.8289 0.7366 0.065 Uiso 0.24 1 calc PR A 2
C48' C 0.0326(16) 0.8937(7) 0.7100(8) 0.0456(19) Uani 0.24 1 d PD A 2
S2' S -0.0270(12) 0.8715(8) 0.6656(7) 0.088(3) Uani 0.24 1 d PD A 2
C49 C -0.0075(6) 0.9788(4) 0.7264(3) 0.052(2) Uani 1 1 d D . .
C50 C -0.0378(6) 1.0466(4) 0.7450(3) 0.0465(18) Uani 1 1 d . A .
C51 C -0.2701(6) 1.1086(4) 0.7195(3) 0.0445(17) Uani 1 1 d . . .
C52 C -0.3238(7) 1.1222(6) 0.6819(4) 0.066(2) Uani 1 1 d . . .
H52 H -0.3296 1.1720 0.6651 0.080 Uiso 1 1 calc R . .
C53 C -0.3682(9) 1.0610(7) 0.6699(4) 0.085(3) Uani 1 1 d . . .
H53 H -0.4036 1.0692 0.6449 0.102 Uiso 1 1 calc R . .
C54 C -0.3590(9) 0.9874(7) 0.6957(5) 0.099(4) Uani 1 1 d . . .
H54 H -0.3889 0.9462 0.6881 0.119 Uiso 1 1 calc R . .
C55 C -0.3066(8) 0.9750(6) 0.7319(5) 0.084(3) Uani 1 1 d . . .
H55 H -0.2992 0.9247 0.7482 0.101 Uiso 1 1 calc R . .
C56 C -0.2643(7) 1.0365(5) 0.7448(4) 0.067(2) Uani 1 1 d . . .
H56 H -0.2318 1.0286 0.7708 0.081 Uiso 1 1 calc R . .
C57 C -0.3220(5) 1.2738(4) 0.7566(2) 0.0407(16) Uani 1 1 d . . .
C58 C -0.3162(6) 1.3557(4) 0.7529(3) 0.0505(19) Uani 1 1 d . . .
H58 H -0.2553 1.3684 0.7376 0.061 Uiso 1 1 calc R . .
C59 C -0.4003(8) 1.4208(5) 0.7720(3) 0.066(2) Uani 1 1 d . . .
H59 H -0.3945 1.4758 0.7688 0.079 Uiso 1 1 calc R . .
C60 C -0.4863(8) 1.4051(6) 0.7940(4) 0.076(3) Uani 1 1 d . . .
H60 H -0.5414 1.4490 0.8060 0.091 Uiso 1 1 calc R . .
C61 C -0.4965(8) 1.3229(6) 0.7998(3) 0.078(3) Uani 1 1 d . . .
H61 H -0.5579 1.3118 0.8156 0.094 Uiso 1 1 calc R . .
C62 C -0.4123(6) 1.2573(5) 0.7814(3) 0.055(2) Uani 1 1 d . . .
H62 H -0.4175 1.2023 0.7860 0.066 Uiso 1 1 calc R . .
C63 C -0.1513(6) 1.2267(5) 0.6767(3) 0.0447(17) Uani 1 1 d . . .
H63A H -0.1781 1.2074 0.6512 0.054 Uiso 1 1 calc R . .
H63B H -0.1685 1.2872 0.6768 0.054 Uiso 1 1 calc R . .
C64 C -0.0365(5) 1.1944(5) 0.6667(2) 0.0435(17) Uani 1 1 d . . .
H64A H -0.0049 1.2263 0.6412 0.052 Uiso 1 1 calc R . .
H64B H -0.0179 1.1363 0.6563 0.052 Uiso 1 1 calc R . .
C65 C 0.0065(6) 1.3169(4) 0.7228(2) 0.0429(17) Uani 1 1 d . . .
C66 C 0.0725(6) 1.3506(5) 0.6884(3) 0.056(2) Uani 1 1 d . . .
H66 H 0.1199 1.3154 0.6651 0.068 Uiso 1 1 calc R . .
C67 C 0.0704(7) 1.4337(6) 0.6877(3) 0.065(2) Uani 1 1 d . . .
H67 H 0.1158 1.4544 0.6641 0.078 Uiso 1 1 calc R . .
C68 C 0.0011(8) 1.4866(6) 0.7219(4) 0.073(3) Uani 1 1 d . . .
H68 H 0.0014 1.5429 0.7224 0.088 Uiso 1 1 calc R . .
C69 C -0.0698(7) 1.4562(6) 0.7560(3) 0.067(2) Uani 1 1 d . . .
H69 H -0.1203 1.4924 0.7776 0.080 Uiso 1 1 calc R . .
C70 C -0.0638(6) 1.3703(5) 0.7570(3) 0.0526(19) Uani 1 1 d . . .
H70 H -0.1076 1.3489 0.7811 0.063 Uiso 1 1 calc R . .
C71 C 0.1451(5) 1.1540(5) 0.7086(3) 0.0475(18) Uani 1 1 d . . .
C72 C 0.2126(6) 1.1847(7) 0.7281(3) 0.067(2) Uani 1 1 d . . .
H72 H 0.1892 1.2317 0.7483 0.080 Uiso 1 1 calc R . .
C73 C 0.3169(7) 1.1451(8) 0.7174(4) 0.083(3) Uani 1 1 d . . .
H73 H 0.3635 1.1672 0.7288 0.100 Uiso 1 1 calc R . .
C74 C 0.3480(9) 1.0741(8) 0.6902(5) 0.097(4) Uani 1 1 d . . .
H74 H 0.4163 1.0459 0.6842 0.117 Uiso 1 1 calc R . .
C75 C 0.2807(9) 1.0435(7) 0.6716(4) 0.091(3) Uani 1 1 d . . .
H75 H 0.3042 0.9956 0.6521 0.109 Uiso 1 1 calc R . .
C76 C 0.1829(7) 1.0807(5) 0.6806(3) 0.064(2) Uani 1 1 d . . .
H76 H 0.1383 1.0577 0.6681 0.077 Uiso 1 1 calc R . .
C77 C -0.1003(8) 1.0766(5) 0.8514(3) 0.063(3) Uani 1 1 d . . .
C78 C -0.0170(7) 1.1105(6) 0.8435(3) 0.057(2) Uani 1 1 d . . .
C79 C -0.0480(6) 1.1972(5) 0.8479(3) 0.0492(19) Uani 1 1 d . . .
C80 C -0.1569(6) 1.2200(5) 0.8566(2) 0.0419(16) Uani 1 1 d . . .
C81 C -0.1889(6) 1.1444(6) 0.8585(2) 0.053(2) Uani 1 1 d . . .
C82 C -0.1058(14) 0.9862(6) 0.8546(4) 0.135(6) Uani 1 1 d . . .
H82A H -0.1500 0.9765 0.8346 0.202 Uiso 1 1 calc R . .
H82B H -0.1320 0.9736 0.8876 0.202 Uiso 1 1 calc R . .
H82C H -0.0390 0.9510 0.8438 0.202 Uiso 1 1 calc R . .
C83 C 0.0965(9) 1.0600(9) 0.8369(4) 0.121(5) Uani 1 1 d . . .
H83A H 0.1127 1.0467 0.8681 0.181 Uiso 1 1 calc R . .
H83B H 0.1405 1.0929 0.8195 0.181 Uiso 1 1 calc R . .
H83C H 0.1059 1.0093 0.8190 0.181 Uiso 1 1 calc R . .
C84 C 0.0156(8) 1.2595(8) 0.8506(3) 0.089(4) Uani 1 1 d . . .
H84A H -0.0173 1.2976 0.8772 0.133 Uiso 1 1 calc R . .
H84B H 0.0227 1.2899 0.8210 0.133 Uiso 1 1 calc R . .
H84C H 0.0817 1.2302 0.8553 0.133 Uiso 1 1 calc R . .
C85 C -0.2262(8) 1.3033(6) 0.8710(3) 0.074(3) Uani 1 1 d . . .
H85A H -0.2837 1.3114 0.8560 0.111 Uiso 1 1 calc R . .
H85B H -0.1903 1.3461 0.8609 0.111 Uiso 1 1 calc R . .
H85C H -0.2492 1.3062 0.9056 0.111 Uiso 1 1 calc R . .
C86 C -0.2996(8) 1.1376(8) 0.8726(4) 0.092(4) Uani 1 1 d . . .
H86A H -0.3155 1.1251 0.9064 0.139 Uiso 1 1 calc R . .
H86B H -0.3089 1.0938 0.8539 0.139 Uiso 1 1 calc R . .
H86C H -0.3438 1.1895 0.8665 0.139 Uiso 1 1 calc R . .
C87 C 0.6534(6) 0.8205(5) 1.0327(3) 0.054(2) Uani 1 1 d . . .
C88 C 0.7321(7) 0.7861(6) 1.0564(3) 0.068(2) Uani 1 1 d . . .
H88 H 0.7938 0.7551 1.0389 0.081 Uiso 1 1 calc R . .
C89 C 0.7194(10) 0.7975(8) 1.1050(4) 0.096(4) Uani 1 1 d . . .
H89 H 0.7725 0.7725 1.1201 0.115 Uiso 1 1 calc R . .
C90 C 0.6314(10) 0.8443(8) 1.1326(4) 0.084(3) Uani 1 1 d . . .
H90 H 0.6265 0.8537 1.1654 0.101 Uiso 1 1 calc R . .
C91 C 0.5550(8) 0.8754(6) 1.1124(3) 0.071(3) Uani 1 1 d . . .
H91 H 0.4938 0.9042 1.1314 0.085 Uiso 1 1 calc R . .
C92 C 0.5628(7) 0.8665(5) 1.0612(3) 0.062(2) Uani 1 1 d . . .
H92 H 0.5080 0.8910 1.0471 0.075 Uiso 1 1 calc R . .
C93 C 0.7990(6) 0.7864(5) 0.9439(3) 0.053(2) Uani 1 1 d . . .
C94 C 0.8573(7) 0.8380(6) 0.9547(3) 0.067(2) Uani 1 1 d . . .
H94 H 0.8276 0.8819 0.9768 0.080 Uiso 1 1 calc R . .
C95 C 0.9591(8) 0.8250(8) 0.9328(4) 0.086(3) Uani 1 1 d . . .
H95 H 0.9969 0.8611 0.9394 0.103 Uiso 1 1 calc R . .
C96 C 1.0047(9) 0.7585(9) 0.9011(5) 0.102(4) Uani 1 1 d . . .
H96 H 1.0740 0.7480 0.8878 0.122 Uiso 1 1 calc R . .
C97 C 0.9485(9) 0.7084(8) 0.8895(5) 0.105(4) Uani 1 1 d . . .
H97 H 0.9788 0.6653 0.8669 0.126 Uiso 1 1 calc R . .
C98 C 0.8457(6) 0.7210(5) 0.9109(3) 0.060(2) Uani 1 1 d . . .
H98 H 0.8082 0.6855 0.9032 0.072 Uiso 1 1 calc R . .
C99 C 0.6164(7) 0.9112(5) 0.9451(3) 0.057(2) Uani 1 1 d . . .
H99A H 0.5510 0.9382 0.9649 0.068 Uiso 1 1 calc R . .
H99B H 0.6642 0.9448 0.9467 0.068 Uiso 1 1 calc R . .
C100 C 0.6063(9) 0.9047(5) 0.8939(3) 0.071(3) Uani 1 1 d . . .
H10A H 0.6691 0.9102 0.8725 0.085 Uiso 1 1 calc R . .
H10B H 0.5522 0.9506 0.8877 0.085 Uiso 1 1 calc R . .
C101 C 0.4620(8) 0.8390(6) 0.8549(3) 0.069(3) Uani 1 1 d . . .
C102 C 0.3810(8) 0.8029(6) 0.8695(4) 0.072(3) Uani 1 1 d . . .
H102 H 0.3838 0.7624 0.8933 0.086 Uiso 1 1 calc R . .
C103 C 0.2968(10) 0.8252(9) 0.8499(5) 0.105(4) Uani 1 1 d . . .
H103 H 0.2420 0.8012 0.8608 0.126 Uiso 1 1 calc R . .
C104 C 0.2932(12) 0.8842(11) 0.8135(7) 0.137(8) Uani 1 1 d . . .
H104 H 0.2373 0.8983 0.7989 0.164 Uiso 1 1 calc R . .
C105 C 0.3727(15) 0.9209(9) 0.7994(5) 0.128(6) Uani 1 1 d . . .
H105 H 0.3693 0.9625 0.7764 0.153 Uiso 1 1 calc R . .
C106 C 0.4569(11) 0.8974(7) 0.8188(4) 0.107(4) Uani 1 1 d . . .
H106 H 0.5118 0.9210 0.8076 0.128 Uiso 1 1 calc R . .
C107 C 0.6698(7) 0.7696(5) 0.8219(3) 0.061(2) Uani 1 1 d . . .
C108 C 0.6402(9) 0.7256(7) 0.7893(3) 0.082(3) Uani 1 1 d . . .
H108 H 0.5748 0.7169 0.7957 0.098 Uiso 1 1 calc R . .
C109 C 0.7070(12) 0.6950(8) 0.7478(4) 0.110(5) Uani 1 1 d . . .
H109 H 0.6853 0.6673 0.7254 0.132 Uiso 1 1 calc R . .
C110 C 0.8062(14) 0.7037(12) 0.7376(5) 0.144(8) Uani 1 1 d . . .
H110 H 0.8527 0.6786 0.7103 0.173 Uiso 1 1 calc R . .
C111 C 0.8338(12) 0.7510(13) 0.7694(6) 0.142(7) Uani 1 1 d . . .
H111 H 0.8973 0.7635 0.7618 0.170 Uiso 1 1 calc R . .
C112 C 0.7677(9) 0.7799(8) 0.8125(4) 0.096(4) Uani 1 1 d . . .
H112 H 0.7895 0.8064 0.8353 0.116 Uiso 1 1 calc R . .
C113 C 0.6552(7) 0.5860(5) 0.9227(3) 0.060(2) Uani 1 1 d . . .
C114 C 0.5511(7) 0.5988(5) 0.9183(3) 0.060(2) Uani 1 1 d . . .
C115 C 0.4904(7) 0.6187(5) 0.9667(4) 0.066(2) Uani 1 1 d . . .
C116 C 0.5571(8) 0.6204(5) 0.9996(3) 0.063(2) Uani 1 1 d . . .
C117 C 0.6596(7) 0.5969(5) 0.9707(3) 0.057(2) Uani 1 1 d . . .
C118 C 0.7449(9) 0.5503(6) 0.8809(4) 0.097(4) Uani 1 1 d . . .
H11A H 0.8074 0.5535 0.8894 0.146 Uiso 1 1 calc R . .
H11B H 0.7368 0.5821 0.8522 0.146 Uiso 1 1 calc R . .
H11C H 0.7465 0.4931 0.8748 0.146 Uiso 1 1 calc R . .
C119 C 0.5124(10) 0.5820(7) 0.8750(4) 0.098(4) Uani 1 1 d . . .
H11D H 0.5518 0.6007 0.8465 0.147 Uiso 1 1 calc R . .
H11E H 0.4423 0.6114 0.8787 0.147 Uiso 1 1 calc R . .
H11F H 0.5181 0.5232 0.8721 0.147 Uiso 1 1 calc R . .
C120 C 0.3768(8) 0.6304(7) 0.9818(5) 0.095(4) Uani 1 1 d . . .
H12A H 0.3463 0.6477 0.9545 0.143 Uiso 1 1 calc R . .
H12B H 0.3502 0.6723 1.0069 0.143 Uiso 1 1 calc R . .
H12C H 0.3616 0.5786 0.9936 0.143 Uiso 1 1 calc R . .
C121 C 0.5251(10) 0.6321(7) 1.0525(4) 0.099(4) Uani 1 1 d . . .
H12D H 0.4798 0.6862 1.0599 0.148 Uiso 1 1 calc R . .
H12E H 0.5838 0.6280 1.0662 0.148 Uiso 1 1 calc R . .
H12F H 0.4907 0.5898 1.0658 0.148 Uiso 1 1 calc R . .
C122 C 0.7523(9) 0.5824(7) 0.9933(5) 0.107(4) Uani 1 1 d . . .
H12G H 0.7685 0.5257 1.0038 0.161 Uiso 1 1 d R . .
H12H H 0.7382 0.6196 1.0206 0.161 Uiso 1 1 d R . .
H12I H 0.8090 0.5928 0.9698 0.161 Uiso 1 1 d R . .
C123 C 0.4453(5) 0.8071(5) 0.9715(3) 0.0435(17) Uani 1 1 d . . .
C124 C 0.3638(6) 0.8509(5) 0.9844(3) 0.0525(19) Uani 1 1 d . . .
C125 C 0.2563(6) 0.8977(4) 0.9904(3) 0.0463(18) Uani 1 1 d . . .
C126 C 0.1730(5) 0.8752(5) 1.0207(3) 0.0469(18) Uani 1 1 d . . .
H126 H 0.1750 0.8304 1.0417 0.056 Uiso 1 1 calc R . .
C127 C 0.0806(5) 0.9375(4) 1.0127(2) 0.0424(17) Uani 1 1 d . . .
C128 C 0.0983(5) 0.9988(5) 0.9771(3) 0.0479(18) Uani 1 1 d . . .
C129 C -0.0221(6) 0.9413(5) 1.0357(3) 0.057(2) Uani 1 1 d . . .
H129 H -0.0373 0.9031 1.0595 0.069 Uiso 1 1 calc R . .
C1S C 0.2374(9) 0.5994(9) 0.8545(6) 0.179(9) Uani 1 1 d G B 1
H1S H 0.2444 0.6465 0.8693 0.215 Uiso 1 1 calc R B 1
C2S C 0.2506(9) 0.5234(13) 0.8781(4) 0.231(15) Uani 1 1 d G B 1
H2S H 0.2664 0.5196 0.9086 0.277 Uiso 1 1 calc R B 1
C3S C 0.2402(9) 0.4529(9) 0.8560(6) 0.152(7) Uani 1 1 d G B 1
H3S H 0.2490 0.4021 0.8718 0.183 Uiso 1 1 calc R B 1
C4S C 0.2166(9) 0.4586(9) 0.8105(6) 0.173(9) Uani 1 1 d GD B 1
C5S C 0.2034(9) 0.5346(11) 0.7869(4) 0.158(8) Uani 1 1 d G B 1
H5S H 0.1876 0.5383 0.7564 0.189 Uiso 1 1 calc R B 1
C6S C 0.2138(9) 0.6050(8) 0.8090(6) 0.155(7) Uani 1 1 d G B 1
H6S H 0.2050 0.6559 0.7932 0.186 Uiso 1 1 calc R B 1
C7S C 0.2268(16) 0.3820(10) 0.7859(8) 0.209(11) Uani 1 1 d D B 1
H7S1 H 0.1738 0.3881 0.7681 0.313 Uiso 1 1 calc R B 1
H7S2 H 0.2218 0.3385 0.8092 0.313 Uiso 1 1 calc R B 1
H7S3 H 0.2918 0.3677 0.7640 0.313 Uiso 1 1 calc R B 1
P1 P 0.40236(12) 0.38406(9) 0.42389(6) 0.0289(3) Uani 1 1 d . . .
P2 P 0.51836(12) 0.28531(9) 0.49494(6) 0.0292(4) Uani 1 1 d . . .
P3 P -0.20928(14) 1.18884(10) 0.73610(6) 0.0352(4) Uani 1 1 d . . .
P4 P 0.00737(14) 1.20469(11) 0.72246(6) 0.0377(4) Uani 1 1 d . . .
P5 P 0.66185(15) 0.80537(12) 0.96859(7) 0.0430(4) Uani 1 1 d . . .
P6 P 0.57821(16) 0.80385(12) 0.87952(7) 0.0466(5) Uani 1 1 d . . .
S3 S 0.22827(17) 0.98230(15) 0.95253(9) 0.0678(6) Uani 1 1 d . . .
Cl1 Cl 1.0294(4) 0.4197(3) 0.94462(18) 0.1555(16) Uani 1 1 d D . .
Cl2 Cl 0.8875(5) 0.3259(4) 0.9896(2) 0.196(2) Uani 1 1 d D . .
C8S C 0.9808(10) 0.3727(10) 0.9961(4) 0.141(6) Uani 1 1 d D . .
H8S1 H 1.0355 0.3311 1.0056 0.169 Uiso 1 1 calc R . .
H8S2 H 0.9537 0.4142 1.0219 0.169 Uiso 1 1 calc R . .
Cl4 Cl 0.9228(8) 0.1652(7) 0.5448(3) 0.309(5) Uani 1 1 d D . .
Cl3 Cl 1.0701(6) 0.1099(4) 0.4620(3) 0.229(3) Uani 1 1 d D . .
C9S C 0.9409(9) 0.1526(14) 0.4840(4) 0.210(9) Uani 1 1 d DU . .
H9S1 H 0.9198 0.2060 0.4691 0.252 Uiso 1 1 calc R . .
H9S2 H 0.9011 0.1156 0.4766 0.252 Uiso 1 1 calc R . .


_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
Ru1 C37 2.015(7) . ?
Ru1 C31 2.219(7) . ?
Ru1 C30 2.245(6) . ?
Ru1 C29 2.247(6) . ?
Ru1 C28 2.262(6) . ?
Ru1 P1 2.2628(17) . ?
Ru1 C27 2.268(6) . ?
Ru1 P2 2.2754(17) . ?
Ru2 C50 2.003(7) . ?
Ru2 C78 2.184(7) . ?
Ru2 C79 2.237(7) . ?
Ru2 C77 2.251(7) . ?
Ru2 P4 2.2602(18) . ?
Ru2 C81 2.264(7) . ?
Ru2 P3 2.2711(19) . ?
Ru2 C80 2.271(7) . ?
Ru3 C123 2.023(7) . ?
Ru3 C116 2.233(8) . ?
Ru3 C115 2.257(8) . ?
Ru3 P5 2.259(2) . ?
Ru3 C117 2.268(7) . ?
Ru3 P6 2.274(2) . ?
Ru3 C113 2.274(8) . ?
Ru3 C114 2.286(8) . ?
C1 C6 1.409(9) . ?
C1 C2 1.412(10) . ?
C1 P1 1.826(7) . ?
C2 C3 1.333(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.358(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.338(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.396(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.373(10) . ?
C7 C8 1.393(10) . ?
C7 P1 1.835(7) . ?
C8 C9 1.406(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.399(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.340(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.381(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.551(9) . ?
C13 P1 1.837(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 P2 1.868(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.367(10) . ?
C15 C20 1.396(10) . ?
C15 P2 1.862(6) . ?
C16 C17 1.384(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.379(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.384(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.349(11) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.381(10) . ?
C21 C26 1.387(10) . ?
C21 P2 1.860(7) . ?
C22 C23 1.404(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.342(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.313(14) . ?
C24 H24 0.9300 . ?
C25 C26 1.377(12) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C31 1.427(9) . ?
C27 C28 1.432(10) . ?
C27 C36 1.484(10) . ?
C28 C29 1.408(9) . ?
C28 C32 1.500(9) . ?
C29 C30 1.425(10) . ?
C29 C33 1.492(9) . ?
C30 C31 1.418(10) . ?
C30 C34 1.496(10) . ?
C31 C35 1.515(10) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.181(9) . ?
C38 C39' 1.436(9) . ?
C38 C39 1.437(7) . ?
C39 C40 1.362(8) . ?
C39 S1 1.731(7) . ?
C40 C41 1.423(8) . ?
C40 H40 0.9300 . ?
S1 C42 1.725(5) . ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C43 H43 0.9300 . ?
C44 C45 1.3900 . ?
C44 C47 1.425(9) . ?
C45 C46 1.3900 . ?
C45 S2 1.742(4) . ?
C46 H46 0.9300 . ?
C47 C48 1.373(10) . ?
C47 H47 0.9300 . ?
C48 C49 1.435(8) . ?
C48 S2 1.768(8) . ?
C39' C40' 1.380(10) . ?
C39' S1' 1.69(2) . ?
C40' C41' 1.448(10) . ?
C40' H40' 0.9300 . ?
S1' C42' 1.712(9) . ?
C41' C42' 1.3900 . ?
C41' C46' 1.3900 . ?
C42' C43' 1.3900 . ?
C43' C44' 1.3900 . ?
C43' H43' 0.9300 . ?
C44' C45' 1.3900 . ?
C44' C47' 1.445(10) . ?
C45' C46' 1.3900 . ?
C45' S2' 1.726(9) . ?
C46' H46' 0.9300 . ?
C47' C48' 1.386(10) . ?
C47' H47' 0.9300 . ?
C48' C49 1.435(9) . ?
C48' S2' 1.734(10) . ?
C49 C50 1.194(9) . ?
C51 C56 1.361(11) . ?
C51 C52 1.403(11) . ?
C51 P3 1.853(7) . ?
C52 C53 1.388(12) . ?
C52 H52 0.9300 . ?
C53 C54 1.386(15) . ?
C53 H53 0.9300 . ?
C54 C55 1.360(15) . ?
C54 H54 0.9300 . ?
C55 C56 1.382(12) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C58 1.374(10) . ?
C57 C62 1.382(11) . ?
C57 P3 1.833(7) . ?
C58 C59 1.405(11) . ?
C58 H58 0.9300 . ?
C59 C60 1.302(14) . ?
C59 H59 0.9300 . ?
C60 C61 1.399(14) . ?
C60 H60 0.9300 . ?
C61 C62 1.406(12) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 C64 1.517(10) . ?
C63 P3 1.858(7) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 P4 1.833(7) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 C70 1.383(11) . ?
C65 C66 1.384(10) . ?
C65 P4 1.850(7) . ?
C66 C67 1.365(12) . ?
C66 H66 0.9300 . ?
C67 C68 1.372(13) . ?
C67 H67 0.9300 . ?
C68 C69 1.395(13) . ?
C68 H68 0.9300 . ?
C69 C70 1.399(11) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 C72 1.378(12) . ?
C71 C76 1.399(11) . ?
C71 P4 1.852(7) . ?
C72 C73 1.406(13) . ?
C72 H72 0.9300 . ?
C73 C74 1.353(16) . ?
C73 H73 0.9300 . ?
C74 C75 1.362(16) . ?
C74 H74 0.9300 . ?
C75 C76 1.319(13) . ?
C75 H75 0.9300 . ?
C76 H76 0.9300 . ?
C77 C78 1.373(13) . ?
C77 C81 1.431(12) . ?
C77 C82 1.513(13) . ?
C78 C79 1.393(12) . ?
C78 C83 1.567(12) . ?
C79 C80 1.432(10) . ?
C79 C84 1.520(12) . ?
C80 C81 1.417(11) . ?
C80 C85 1.489(11) . ?
C81 C86 1.530(12) . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 H83A 0.9600 . ?
C83 H83B 0.9600 . ?
C83 H83C 0.9600 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C87 C88 1.394(12) . ?
C87 C92 1.398(11) . ?
C87 P5 1.813(9) . ?
C88 C89 1.363(13) . ?
C88 H88 0.9300 . ?
C89 C90 1.370(16) . ?
C89 H89 0.9300 . ?
C90 C91 1.298(14) . ?
C90 H90 0.9300 . ?
C91 C92 1.439(12) . ?
C91 H91 0.9300 . ?
C92 H92 0.9300 . ?
C93 C94 1.388(12) . ?
C93 C98 1.391(12) . ?
C93 P5 1.833(8) . ?
C94 C95 1.382(13) . ?
C94 H94 0.9300 . ?
C95 C96 1.379(17) . ?
C95 H95 0.9300 . ?
C96 C97 1.356(16) . ?
C96 H96 0.9300 . ?
C97 C98 1.392(13) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 C100 1.492(11) . ?
C99 P5 1.858(8) . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 P6 1.876(9) . ?
C100 H10A 0.9700 . ?
C100 H10B 0.9700 . ?
C101 C102 1.375(14) . ?
C101 C106 1.379(14) . ?
C101 P6 1.845(10) . ?
C102 C103 1.363(14) . ?
C102 H102 0.9300 . ?
C103 C104 1.39(2) . ?
C103 H103 0.9300 . ?
C104 C105 1.36(2) . ?
C104 H104 0.9300 . ?
C105 C106 1.360(18) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C107 C112 1.376(15) . ?
C107 C108 1.377(14) . ?
C107 P6 1.850(9) . ?
C108 C109 1.360(14) . ?
C108 H108 0.9300 . ?
C109 C110 1.38(2) . ?
C109 H109 0.9300 . ?
C110 C111 1.38(2) . ?
C110 H110 0.9300 . ?
C111 C112 1.380(19) . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 C117 1.392(12) . ?
C113 C114 1.436(13) . ?
C113 C118 1.537(13) . ?
C114 C115 1.448(12) . ?
C114 C119 1.495(13) . ?
C115 C116 1.449(13) . ?
C115 C120 1.507(13) . ?
C116 C117 1.449(12) . ?
C116 C121 1.471(13) . ?
C117 C122 1.518(14) . ?
C118 H11A 0.9600 . ?
C118 H11B 0.9600 . ?
C118 H11C 0.9600 . ?
C119 H11D 0.9600 . ?
C119 H11E 0.9600 . ?
C119 H11F 0.9600 . ?
C120 H12A 0.9600 . ?
C120 H12B 0.9600 . ?
C120 H12C 0.9600 . ?
C121 H12D 0.9600 . ?
C121 H12E 0.9600 . ?
C121 H12F 0.9600 . ?
C122 H12G 0.9600 . ?
C122 H12H 0.9600 . ?
C122 H12I 0.9600 . ?
C123 C124 1.175(10) . ?
C124 C125 1.479(10) . ?
C125 C126 1.403(11) . ?
C125 S3 1.748(7) . ?
C126 C127 1.489(9) . ?
C126 H126 0.9300 . ?
C127 C129 1.421(10) . ?
C127 C128 1.427(11) . ?
C128 C129 1.363(11) 2_577 ?
C128 S3 1.745(7) . ?
C129 C128 1.363(11) 2_577 ?
C129 H129 0.9300 . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S H1S 0.9300 . ?
C2S C3S 1.3900 . ?
C2S H2S 0.9300 . ?
C3S C4S 1.3900 . ?
C3S H3S 0.9300 . ?
C4S C5S 1.3900 . ?
C4S C7S 1.426(9) . ?
C5S C6S 1.3900 . ?
C5S H5S 0.9300 . ?
C6S H6S 0.9300 . ?
C7S H7S1 0.9600 . ?
C7S H7S2 0.9600 . ?
C7S H7S3 0.9600 . ?
Cl1 C8S 1.710(8) . ?
Cl2 C8S 1.700(8) . ?
C8S H8S1 0.9700 . ?
C8S H8S2 0.9700 . ?
Cl4 C9S 1.696(9) . ?
Cl3 C9S 1.742(10) . ?
C9S H9S1 0.9700 . ?
C9S H9S2 0.9700 . ?

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
C37 Ru1 C31 95.1(3) . . ?
C37 Ru1 C30 89.4(3) . . ?
C31 Ru1 C30 37.0(3) . . ?
C37 Ru1 C29 118.2(3) . . ?
C31 Ru1 C29 62.0(3) . . ?
C30 Ru1 C29 37.0(3) . . ?
C37 Ru1 C28 150.6(3) . . ?
C31 Ru1 C28 61.8(2) . . ?
C30 Ru1 C28 61.2(3) . . ?
C29 Ru1 C28 36.4(2) . . ?
C37 Ru1 P1 83.47(18) . . ?
C31 Ru1 P1 112.7(2) . . ?
C30 Ru1 P1 148.2(2) . . ?
C29 Ru1 P1 157.36(19) . . ?
C28 Ru1 P1 120.97(17) . . ?
C37 Ru1 C27 129.9(3) . . ?
C31 Ru1 C27 37.1(2) . . ?
C30 Ru1 C27 61.4(3) . . ?
C29 Ru1 C27 61.4(3) . . ?
C28 Ru1 C27 36.9(2) . . ?
P1 Ru1 C27 100.46(18) . . ?
C37 Ru1 P2 86.4(2) . . ?
C31 Ru1 P2 163.8(2) . . ?
C30 Ru1 P2 127.0(2) . . ?
C29 Ru1 P2 103.13(18) . . ?
C28 Ru1 P2 110.76(17) . . ?
P1 Ru1 P2 83.56(6) . . ?
C27 Ru1 P2 143.63(18) . . ?
C50 Ru2 C78 95.7(3) . . ?
C50 Ru2 C79 130.6(3) . . ?
C78 Ru2 C79 36.7(3) . . ?
C50 Ru2 C77 88.5(3) . . ?
C78 Ru2 C77 36.0(3) . . ?
C79 Ru2 C77 60.7(3) . . ?
C50 Ru2 P4 83.6(2) . . ?
C78 Ru2 P4 112.3(3) . . ?
C79 Ru2 P4 101.0(2) . . ?
C77 Ru2 P4 146.3(3) . . ?
C50 Ru2 C81 116.5(3) . . ?
C78 Ru2 C81 61.0(3) . . ?
C79 Ru2 C81 60.9(3) . . ?
C77 Ru2 C81 37.0(3) . . ?
P4 Ru2 C81 158.6(2) . . ?
C50 Ru2 P3 87.3(2) . . ?
C78 Ru2 P3 164.2(3) . . ?
C79 Ru2 P3 142.0(2) . . ?
C77 Ru2 P3 128.9(3) . . ?
P4 Ru2 P3 83.47(7) . . ?
C81 Ru2 P3 103.7(2) . . ?
C50 Ru2 C80 149.7(3) . . ?
C78 Ru2 C80 61.6(3) . . ?
C79 Ru2 C80 37.0(3) . . ?
C77 Ru2 C80 61.3(3) . . ?
P4 Ru2 C80 122.3(2) . . ?
C81 Ru2 C80 36.4(3) . . ?
P3 Ru2 C80 109.39(19) . . ?
C123 Ru3 C116 99.5(3) . . ?
C123 Ru3 C115 89.7(3) . . ?
C116 Ru3 C115 37.6(3) . . ?
C123 Ru3 P5 87.9(2) . . ?
C116 Ru3 P5 110.4(3) . . ?
C115 Ru3 P5 146.7(3) . . ?
C123 Ru3 C117 136.2(3) . . ?
C116 Ru3 C117 37.5(3) . . ?
C115 Ru3 C117 61.4(3) . . ?
P5 Ru3 C117 99.2(2) . . ?
C123 Ru3 P6 82.7(2) . . ?
C116 Ru3 P6 166.9(3) . . ?
C115 Ru3 P6 130.0(3) . . ?
P5 Ru3 P6 82.54(8) . . ?
C117 Ru3 P6 140.9(2) . . ?
C123 Ru3 C113 150.1(3) . . ?
C116 Ru3 C113 61.8(3) . . ?
C115 Ru3 C113 61.0(3) . . ?
P5 Ru3 C113 119.7(3) . . ?
C117 Ru3 C113 35.7(3) . . ?
P6 Ru3 C113 110.4(2) . . ?
C123 Ru3 C114 115.2(3) . . ?
C116 Ru3 C114 63.0(3) . . ?
C115 Ru3 C114 37.2(3) . . ?
P5 Ru3 C114 156.4(2) . . ?
C117 Ru3 C114 61.2(3) . . ?
P6 Ru3 C114 104.3(2) . . ?
C113 Ru3 C114 36.7(3) . . ?
C6 C1 C2 116.6(6) . . ?
C6 C1 P1 120.7(5) . . ?
C2 C1 P1 122.1(5) . . ?
C3 C2 C1 120.7(8) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 123.0(9) . . ?
C2 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
C5 C4 C3 118.3(9) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
C4 C5 C6 122.3(9) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C1 119.0(8) . . ?
C5 C6 H6 120.5 . . ?
C1 C6 H6 120.5 . . ?
C12 C7 C8 118.4(7) . . ?
C12 C7 P1 119.9(5) . . ?
C8 C7 P1 121.7(5) . . ?
C7 C8 C9 119.7(8) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C10 C9 C8 119.3(8) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.4(8) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.1(9) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 122.0(7) . . ?
C7 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C14 C13 P1 106.0(4) . . ?
C14 C13 H13A 110.5 . . ?
P1 C13 H13A 110.5 . . ?
C14 C13 H13B 110.5 . . ?
P1 C13 H13B 110.5 . . ?
H13A C13 H13B 108.7 . . ?
C13 C14 P2 109.9(4) . . ?
C13 C14 H14A 109.7 . . ?
P2 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
P2 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 C20 119.0(7) . . ?
C16 C15 P2 121.1(6) . . ?
C20 C15 P2 119.8(5) . . ?
C15 C16 C17 121.2(8) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C18 C17 C16 119.0(9) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 119.7(8) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 120.9(10) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C15 120.1(8) . . ?
C19 C20 H20 120.0 . . ?
C15 C20 H20 120.0 . . ?
C22 C21 C26 118.6(7) . . ?
C22 C21 P2 119.5(6) . . ?
C26 C21 P2 121.6(5) . . ?
C21 C22 C23 118.0(8) . . ?
C21 C22 H22 121.0 . . ?
C23 C22 H22 121.0 . . ?
C24 C23 C22 122.1(9) . . ?
C24 C23 H23 118.9 . . ?
C22 C23 H23 118.9 . . ?
C25 C24 C23 119.3(8) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
C24 C25 C26 122.2(9) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 H25 118.9 . . ?
C25 C26 C21 119.7(8) . . ?
C25 C26 H26 120.2 . . ?
C21 C26 H26 120.2 . . ?
C31 C27 C28 107.2(6) . . ?
C31 C27 C36 126.4(7) . . ?
C28 C27 C36 126.1(7) . . ?
C31 C27 Ru1 69.6(4) . . ?
C28 C27 Ru1 71.3(4) . . ?
C36 C27 Ru1 129.3(5) . . ?
C29 C28 C27 108.4(6) . . ?
C29 C28 C32 124.3(6) . . ?
C27 C28 C32 126.4(6) . . ?
C29 C28 Ru1 71.2(3) . . ?
C27 C28 Ru1 71.8(3) . . ?
C32 C28 Ru1 131.1(5) . . ?
C28 C29 C30 108.1(6) . . ?
C28 C29 C33 125.5(7) . . ?
C30 C29 C33 125.8(7) . . ?
C28 C29 Ru1 72.4(3) . . ?
C30 C29 Ru1 71.4(4) . . ?
C33 C29 Ru1 128.8(5) . . ?
C31 C30 C29 108.0(6) . . ?
C31 C30 C34 125.8(7) . . ?
C29 C30 C34 126.2(7) . . ?
C31 C30 Ru1 70.5(4) . . ?
C29 C30 Ru1 71.6(4) . . ?
C34 C30 Ru1 126.7(5) . . ?
C30 C31 C27 108.2(6) . . ?
C30 C31 C35 126.2(7) . . ?
C27 C31 C35 125.4(7) . . ?
C30 C31 Ru1 72.5(4) . . ?
C27 C31 Ru1 73.3(4) . . ?
C35 C31 Ru1 123.9(5) . . ?
C28 C32 H32A 109.5 . . ?
C28 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C28 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 H33A 109.5 . . ?
C29 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C29 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C31 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C27 C36 H36A 109.5 . . ?
C27 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C27 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 Ru1 177.4(6) . . ?
C37 C38 C39' 175.2(12) . . ?
C37 C38 C39 174.0(8) . . ?
C39' C38 C39 2.2(9) . . ?
C40 C39 C38 128.8(6) . . ?
C40 C39 S1 110.0(5) . . ?
C38 C39 S1 119.9(5) . . ?
C39 C40 C41 114.7(7) . . ?
C39 C40 H40 122.6 . . ?
C41 C40 H40 122.6 . . ?
C42 S1 C39 92.9(3) . . ?
C42 C41 C46 120.0 . . ?
C42 C41 C40 111.5(5) . . ?
C46 C41 C40 128.5(5) . . ?
C41 C42 C43 120.0 . . ?
C41 C42 S1 110.8(3) . . ?
C43 C42 S1 129.2(3) . . ?
C42 C43 C44 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 C47 113.3(7) . . ?
C43 C44 C47 126.7(7) . . ?
C44 C45 C46 120.0 . . ?
C44 C45 S2 111.5(4) . . ?
C46 C45 S2 128.5(4) . . ?
C45 C46 C41 120.0 . . ?
C45 C46 H46 120.0 . . ?
C41 C46 H46 120.0 . . ?
C48 C47 C44 112.6(10) . . ?
C48 C47 H47 123.7 . . ?
C44 C47 H47 123.7 . . ?
C47 C48 C49 129.5(8) . . ?
C47 C48 S2 111.8(6) . . ?
C49 C48 S2 118.4(7) . . ?
C45 S2 C48 90.9(4) . . ?
C40' C39' C38 129.9(15) . . ?
C40' C39' S1' 111.0(9) . . ?
C38 C39' S1' 118.2(13) . . ?
C39' C40' C41' 110.2(12) . . ?
C39' C40' H40' 124.9 . . ?
C41' C40' H40' 124.9 . . ?
C39' S1' C42' 96.2(10) . . ?
C42' C41' C46' 120.0 . . ?
C42' C41' C40' 115.9(14) . . ?
C46' C41' C40' 124.1(14) . . ?
C41' C42' C43' 120.0 . . ?
C41' C42' S1' 106.7(12) . . ?
C43' C42' S1' 133.3(12) . . ?
C44' C43' C42' 120.0 . . ?
C44' C43' H43' 120.0 . . ?
C42' C43' H43' 120.0 . . ?
C45' C44' C43' 120.0 . . ?
C45' C44' C47' 112.2(14) . . ?
C43' C44' C47' 127.8(14) . . ?
C46' C45' C44' 120.0 . . ?
C46' C45' S2' 128.6(12) . . ?
C44' C45' S2' 111.4(12) . . ?
C45' C46' C41' 120.0 . . ?
C45' C46' H46' 120.0 . . ?
C41' C46' H46' 120.0 . . ?
C48' C47' C44' 112.6(13) . . ?
C48' C47' H47' 123.7 . . ?
C44' C47' H47' 123.7 . . ?
C47' C48' C49 137.6(14) . . ?
C47' C48' S2' 111.1(9) . . ?
C49 C48' S2' 110.6(13) . . ?
C45' S2' C48' 92.7(9) . . ?
C50 C49 C48 177.7(9) . . ?
C50 C49 C48' 172.5(13) . . ?
C48 C49 C48' 5.8(12) . . ?
C49 C50 Ru2 173.0(7) . . ?
C56 C51 C52 119.8(7) . . ?
C56 C51 P3 119.4(6) . . ?
C52 C51 P3 120.8(6) . . ?
C53 C52 C51 119.8(9) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C54 C53 C52 119.1(9) . . ?
C54 C53 H53 120.5 . . ?
C52 C53 H53 120.5 . . ?
C55 C54 C53 120.5(9) . . ?
C55 C54 H54 119.7 . . ?
C53 C54 H54 119.7 . . ?
C54 C55 C56 120.7(9) . . ?
C54 C55 H55 119.7 . . ?
C56 C55 H55 119.7 . . ?
C51 C56 C55 120.1(9) . . ?
C51 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C58 C57 C62 117.6(7) . . ?
C58 C57 P3 121.0(6) . . ?
C62 C57 P3 120.9(6) . . ?
C57 C58 C59 121.3(8) . . ?
C57 C58 H58 119.4 . . ?
C59 C58 H58 119.4 . . ?
C60 C59 C58 120.9(8) . . ?
C60 C59 H59 119.6 . . ?
C58 C59 H59 119.6 . . ?
C59 C60 C61 120.6(9) . . ?
C59 C60 H60 119.7 . . ?
C61 C60 H60 119.7 . . ?
C60 C61 C62 118.9(9) . . ?
C60 C61 H61 120.5 . . ?
C62 C61 H61 120.5 . . ?
C57 C62 C61 120.6(8) . . ?
C57 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C64 C63 P3 110.0(5) . . ?
C64 C63 H63A 109.7 . . ?
P3 C63 H63A 109.7 . . ?
C64 C63 H63B 109.7 . . ?
P3 C63 H63B 109.7 . . ?
H63A C63 H63B 108.2 . . ?
C63 C64 P4 108.5(5) . . ?
C63 C64 H64A 110.0 . . ?
P4 C64 H64A 110.0 . . ?
C63 C64 H64B 110.0 . . ?
P4 C64 H64B 110.0 . . ?
H64A C64 H64B 108.4 . . ?
C70 C65 C66 118.0(7) . . ?
C70 C65 P4 120.0(5) . . ?
C66 C65 P4 122.0(6) . . ?
C67 C66 C65 122.3(8) . . ?
C67 C66 H66 118.9 . . ?
C65 C66 H66 118.9 . . ?
C66 C67 C68 119.7(8) . . ?
C66 C67 H67 120.1 . . ?
C68 C67 H67 120.1 . . ?
C67 C68 C69 120.1(8) . . ?
C67 C68 H68 119.9 . . ?
C69 C68 H68 119.9 . . ?
C68 C69 C70 119.0(9) . . ?
C68 C69 H69 120.5 . . ?
C70 C69 H69 120.5 . . ?
C65 C70 C69 120.8(7) . . ?
C65 C70 H70 119.6 . . ?
C69 C70 H70 119.6 . . ?
C72 C71 C76 117.9(8) . . ?
C72 C71 P4 120.9(7) . . ?
C76 C71 P4 121.1(6) . . ?
C71 C72 C73 120.1(10) . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C74 C73 C72 118.7(11) . . ?
C74 C73 H73 120.7 . . ?
C72 C73 H73 120.7 . . ?
C73 C74 C75 120.9(11) . . ?
C73 C74 H74 119.6 . . ?
C75 C74 H74 119.6 . . ?
C76 C75 C74 121.1(11) . . ?
C76 C75 H75 119.4 . . ?
C74 C75 H75 119.4 . . ?
C75 C76 C71 121.1(10) . . ?
C75 C76 H76 119.4 . . ?
C71 C76 H76 119.4 . . ?
C78 C77 C81 107.4(7) . . ?
C78 C77 C82 129.8(11) . . ?
C81 C77 C82 122.7(11) . . ?
C78 C77 Ru2 69.4(4) . . ?
C81 C77 Ru2 72.0(4) . . ?
C82 C77 Ru2 125.7(7) . . ?
C77 C78 C79 110.1(7) . . ?
C77 C78 C83 125.5(10) . . ?
C79 C78 C83 124.0(10) . . ?
C77 C78 Ru2 74.6(5) . . ?
C79 C78 Ru2 73.7(4) . . ?
C83 C78 Ru2 124.1(6) . . ?
C78 C79 C80 107.8(7) . . ?
C78 C79 C84 128.7(9) . . ?
C80 C79 C84 123.0(8) . . ?
C78 C79 Ru2 69.6(4) . . ?
C80 C79 Ru2 72.8(4) . . ?
C84 C79 Ru2 129.5(5) . . ?
C81 C80 C79 106.5(7) . . ?
C81 C80 C85 124.4(8) . . ?
C79 C80 C85 128.0(8) . . ?
C81 C80 Ru2 71.5(4) . . ?
C79 C80 Ru2 70.2(4) . . ?
C85 C80 Ru2 132.5(5) . . ?
C80 C81 C77 108.1(7) . . ?
C80 C81 C86 124.9(9) . . ?
C77 C81 C86 126.5(9) . . ?
C80 C81 Ru2 72.1(4) . . ?
C77 C81 Ru2 71.0(4) . . ?
C86 C81 Ru2 128.9(6) . . ?
C77 C82 H82A 109.5 . . ?
C77 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C77 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C78 C83 H83A 109.5 . . ?
C78 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C78 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C79 C84 H84A 109.5 . . ?
C79 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C79 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C80 C85 H85A 109.5 . . ?
C80 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C80 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C81 C86 H86A 109.5 . . ?
C81 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C81 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 C87 C92 116.8(8) . . ?
C88 C87 P5 123.5(7) . . ?
C92 C87 P5 119.6(7) . . ?
C89 C88 C87 120.5(10) . . ?
C89 C88 H88 119.7 . . ?
C87 C88 H88 119.7 . . ?
C88 C89 C90 122.5(11) . . ?
C88 C89 H89 118.7 . . ?
C90 C89 H89 118.7 . . ?
C91 C90 C89 119.1(10) . . ?
C91 C90 H90 120.5 . . ?
C89 C90 H90 120.5 . . ?
C90 C91 C92 121.6(10) . . ?
C90 C91 H91 119.2 . . ?
C92 C91 H91 119.2 . . ?
C87 C92 C91 119.4(8) . . ?
C87 C92 H92 120.3 . . ?
C91 C92 H92 120.3 . . ?
C94 C93 C98 118.4(8) . . ?
C94 C93 P5 122.4(7) . . ?
C98 C93 P5 119.1(6) . . ?
C95 C94 C93 120.7(10) . . ?
C95 C94 H94 119.7 . . ?
C93 C94 H94 119.7 . . ?
C96 C95 C94 120.0(11) . . ?
C96 C95 H95 120.0 . . ?
C94 C95 H95 120.0 . . ?
C97 C96 C95 120.0(11) . . ?
C97 C96 H96 120.0 . . ?
C95 C96 H96 120.0 . . ?
C96 C97 C98 120.6(12) . . ?
C96 C97 H97 119.7 . . ?
C98 C97 H97 119.7 . . ?
C93 C98 C97 120.2(10) . . ?
C93 C98 H98 119.9 . . ?
C97 C98 H98 119.9 . . ?
C100 C99 P5 109.9(5) . . ?
C100 C99 H99A 109.7 . . ?
P5 C99 H99A 109.7 . . ?
C100 C99 H99B 109.7 . . ?
P5 C99 H99B 109.7 . . ?
H99A C99 H99B 108.2 . . ?
C99 C100 P6 113.3(6) . . ?
C99 C100 H10A 108.9 . . ?
P6 C100 H10A 108.9 . . ?
C99 C100 H10B 108.9 . . ?
P6 C100 H10B 108.9 . . ?
H10A C100 H10B 107.7 . . ?
C102 C101 C106 118.1(10) . . ?
C102 C101 P6 120.7(7) . . ?
C106 C101 P6 121.0(10) . . ?
C103 C102 C101 121.3(12) . . ?
C103 C102 H102 119.3 . . ?
C101 C102 H102 119.3 . . ?
C102 C103 C104 119.6(14) . . ?
C102 C103 H103 120.2 . . ?
C104 C103 H103 120.2 . . ?
C105 C104 C103 119.1(13) . . ?
C105 C104 H104 120.4 . . ?
C103 C104 H104 120.4 . . ?
C106 C105 C104 120.7(15) . . ?
C106 C105 H105 119.7 . . ?
C104 C105 H105 119.7 . . ?
C105 C106 C101 121.0(15) . . ?
C105 C106 H106 119.5 . . ?
C101 C106 H106 119.5 . . ?
C112 C107 C108 119.3(10) . . ?
C112 C107 P6 122.9(8) . . ?
C108 C107 P6 117.6(8) . . ?
C109 C108 C107 119.7(12) . . ?
C109 C108 H108 120.1 . . ?
C107 C108 H108 120.1 . . ?
C108 C109 C110 122.1(15) . . ?
C108 C109 H109 118.9 . . ?
C110 C109 H109 118.9 . . ?
C111 C110 C109 117.6(14) . . ?
C111 C110 H110 121.2 . . ?
C109 C110 H110 121.2 . . ?
C112 C111 C110 120.3(16) . . ?
C112 C111 H111 119.8 . . ?
C110 C111 H111 119.8 . . ?
C107 C112 C111 120.5(14) . . ?
C107 C112 H112 119.8 . . ?
C111 C112 H112 119.8 . . ?
C117 C113 C114 110.0(8) . . ?
C117 C113 C118 126.9(10) . . ?
C114 C113 C118 122.3(9) . . ?
C117 C113 Ru3 71.9(4) . . ?
C114 C113 Ru3 72.1(5) . . ?
C118 C113 Ru3 130.8(6) . . ?
C113 C114 C115 105.9(8) . . ?
C113 C114 C119 127.7(9) . . ?
C115 C114 C119 125.8(9) . . ?
C113 C114 Ru3 71.2(4) . . ?
C115 C114 Ru3 70.3(5) . . ?
C119 C114 Ru3 130.2(7) . . ?
C114 C115 C116 109.2(8) . . ?
C114 C115 C120 126.1(10) . . ?
C116 C115 C120 124.6(9) . . ?
C114 C115 Ru3 72.5(4) . . ?
C116 C115 Ru3 70.3(5) . . ?
C120 C115 Ru3 126.5(7) . . ?
C117 C116 C115 105.7(8) . . ?
C117 C116 C121 128.2(10) . . ?
C115 C116 C121 125.6(9) . . ?
C117 C116 Ru3 72.6(4) . . ?
C115 C116 Ru3 72.1(5) . . ?
C121 C116 Ru3 126.5(7) . . ?
C113 C117 C116 109.2(8) . . ?
C113 C117 C122 128.8(9) . . ?
C116 C117 C122 121.8(9) . . ?
C113 C117 Ru3 72.4(4) . . ?
C116 C117 Ru3 69.9(5) . . ?
C122 C117 Ru3 126.8(6) . . ?
C113 C118 H11A 109.5 . . ?
C113 C118 H11B 109.5 . . ?
H11A C118 H11B 109.5 . . ?
C113 C118 H11C 109.5 . . ?
H11A C118 H11C 109.5 . . ?
H11B C118 H11C 109.5 . . ?
C114 C119 H11D 109.5 . . ?
C114 C119 H11E 109.5 . . ?
H11D C119 H11E 109.5 . . ?
C114 C119 H11F 109.5 . . ?
H11D C119 H11F 109.5 . . ?
H11E C119 H11F 109.5 . . ?
C115 C120 H12A 109.5 . . ?
C115 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C115 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C116 C121 H12D 109.5 . . ?
C116 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
C116 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C117 C122 H12G 109.5 . . ?
C117 C122 H12H 109.5 . . ?
H12G C122 H12H 109.5 . . ?
C117 C122 H12I 109.5 . . ?
H12G C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
C124 C123 Ru3 171.2(7) . . ?
C123 C124 C125 166.4(9) . . ?
C126 C125 C124 125.5(7) . . ?
C126 C125 S3 116.4(5) . . ?
C124 C125 S3 117.7(6) . . ?
C125 C126 C127 106.3(7) . . ?
C125 C126 H126 126.8 . . ?
C127 C126 H126 126.8 . . ?
C129 C127 C128 117.1(6) . . ?
C129 C127 C126 127.2(7) . . ?
C128 C127 C126 115.7(6) . . ?
C129 C128 C127 123.3(7) 2_577 . ?
C129 C128 S3 126.7(6) 2_577 . ?
C127 C128 S3 110.0(5) . . ?
C128 C129 C127 119.6(7) 2_577 . ?
C128 C129 H129 120.2 2_577 . ?
C127 C129 H129 120.2 . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S H1S 120.0 . . ?
C6S C1S H1S 120.0 . . ?
C1S C2S C3S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C3S C2S H2S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C2S C3S H3S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C5S C4S C7S 121.9(16) . . ?
C3S C4S C7S 116.9(15) . . ?
C4S C5S C6S 120.0 . . ?
C4S C5S H5S 120.0 . . ?
C6S C5S H5S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S H6S 120.0 . . ?
C1S C6S H6S 120.0 . . ?
C1 P1 C7 101.4(3) . . ?
C1 P1 C13 106.0(3) . . ?
C7 P1 C13 102.7(3) . . ?
C1 P1 Ru1 116.7(2) . . ?
C7 P1 Ru1 120.7(2) . . ?
C13 P1 Ru1 107.7(2) . . ?
C21 P2 C15 100.2(3) . . ?
C21 P2 C14 102.7(3) . . ?
C15 P2 C14 103.9(3) . . ?
C21 P2 Ru1 119.4(2) . . ?
C15 P2 Ru1 118.7(2) . . ?
C14 P2 Ru1 109.9(2) . . ?
C57 P3 C51 100.2(3) . . ?
C57 P3 C63 102.4(3) . . ?
C51 P3 C63 103.6(3) . . ?
C57 P3 Ru2 118.5(2) . . ?
C51 P3 Ru2 119.2(2) . . ?
C63 P3 Ru2 110.7(2) . . ?
C64 P4 C65 101.8(3) . . ?
C64 P4 C71 105.3(3) . . ?
C65 P4 C71 102.5(4) . . ?
C64 P4 Ru2 108.0(2) . . ?
C65 P4 Ru2 119.5(2) . . ?
C71 P4 Ru2 117.8(2) . . ?
C87 P5 C93 102.5(4) . . ?
C87 P5 C99 105.4(4) . . ?
C93 P5 C99 100.9(4) . . ?
C87 P5 Ru3 119.0(3) . . ?
C93 P5 Ru3 118.8(3) . . ?
C99 P5 Ru3 108.1(3) . . ?
C101 P6 C107 98.3(4) . . ?
C101 P6 C100 102.8(5) . . ?
C107 P6 C100 103.1(5) . . ?
C101 P6 Ru3 119.0(4) . . ?
C107 P6 Ru3 120.9(3) . . ?
C100 P6 Ru3 110.2(3) . . ?
C128 S3 C125 91.5(4) . . ?
Cl2 C8S Cl1 113.5(7) . . ?
Cl2 C8S H8S1 108.9 . . ?
Cl1 C8S H8S1 108.9 . . ?
Cl2 C8S H8S2 108.9 . . ?
Cl1 C8S H8S2 108.9 . . ?
H8S1 C8S H8S2 107.7 . . ?
Cl4 C9S Cl3 107.6(9) . . ?
Cl4 C9S H9S1 110.2 . . ?
Cl3 C9S H9S1 110.2 . . ?
Cl4 C9S H9S2 110.2 . . ?
Cl3 C9S H9S2 110.2 . . ?
H9S1 C9S H9S2 108.5 . . ?

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
C6 C1 C2 C3 2.6(12) . . . . ?
P1 C1 C2 C3 174.2(7) . . . . ?
C1 C2 C3 C4 -2.4(16) . . . . ?
C2 C3 C4 C5 -0.4(17) . . . . ?
C3 C4 C5 C6 2.8(16) . . . . ?
C4 C5 C6 C1 -2.5(14) . . . . ?
C2 C1 C6 C5 -0.2(10) . . . . ?
P1 C1 C6 C5 -171.9(6) . . . . ?
C12 C7 C8 C9 2.2(11) . . . . ?
P1 C7 C8 C9 -177.5(6) . . . . ?
C7 C8 C9 C10 -0.7(13) . . . . ?
C8 C9 C10 C11 -1.2(14) . . . . ?
C9 C10 C11 C12 1.6(14) . . . . ?
C8 C7 C12 C11 -1.9(12) . . . . ?
P1 C7 C12 C11 177.8(6) . . . . ?
C10 C11 C12 C7 0.0(13) . . . . ?
P1 C13 C14 P2 -45.8(5) . . . . ?
C20 C15 C16 C17 0.0(11) . . . . ?
P2 C15 C16 C17 178.1(6) . . . . ?
C15 C16 C17 C18 0.0(13) . . . . ?
C16 C17 C18 C19 1.4(14) . . . . ?
C17 C18 C19 C20 -2.8(15) . . . . ?
C18 C19 C20 C15 2.8(14) . . . . ?
C16 C15 C20 C19 -1.4(11) . . . . ?
P2 C15 C20 C19 -179.5(6) . . . . ?
C26 C21 C22 C23 1.0(11) . . . . ?
P2 C21 C22 C23 174.9(6) . . . . ?
C21 C22 C23 C24 -1.0(14) . . . . ?
C22 C23 C24 C25 1.9(16) . . . . ?
C23 C24 C25 C26 -2.7(15) . . . . ?
C24 C25 C26 C21 2.7(14) . . . . ?
C22 C21 C26 C25 -1.8(11) . . . . ?
P2 C21 C26 C25 -175.6(6) . . . . ?
C37 Ru1 C27 C31 -23.8(6) . . . . ?
C30 Ru1 C27 C31 38.1(4) . . . . ?
C29 Ru1 C27 C31 80.5(5) . . . . ?
C28 Ru1 C27 C31 117.3(6) . . . . ?
P1 Ru1 C27 C31 -114.0(4) . . . . ?
P2 Ru1 C27 C31 152.7(4) . . . . ?
C37 Ru1 C27 C28 -141.0(4) . . . . ?
C31 Ru1 C27 C28 -117.3(6) . . . . ?
C30 Ru1 C27 C28 -79.2(4) . . . . ?
C29 Ru1 C27 C28 -36.8(4) . . . . ?
P1 Ru1 C27 C28 128.8(4) . . . . ?
P2 Ru1 C27 C28 35.4(5) . . . . ?
C37 Ru1 C27 C36 97.2(7) . . . . ?
C31 Ru1 C27 C36 120.9(9) . . . . ?
C30 Ru1 C27 C36 159.0(8) . . . . ?
C29 Ru1 C27 C36 -158.6(8) . . . . ?
C28 Ru1 C27 C36 -121.8(9) . . . . ?
P1 Ru1 C27 C36 7.0(7) . . . . ?
P2 Ru1 C27 C36 -86.4(8) . . . . ?
C31 C27 C28 C29 1.5(7) . . . . ?
C36 C27 C28 C29 -172.3(7) . . . . ?
Ru1 C27 C28 C29 62.2(4) . . . . ?
C31 C27 C28 C32 171.2(6) . . . . ?
C36 C27 C28 C32 -2.6(11) . . . . ?
Ru1 C27 C28 C32 -128.1(7) . . . . ?
C31 C27 C28 Ru1 -60.7(4) . . . . ?
C36 C27 C28 Ru1 125.5(7) . . . . ?
C37 Ru1 C28 C29 -38.4(7) . . . . ?
C31 Ru1 C28 C29 -80.2(4) . . . . ?
C30 Ru1 C28 C29 -37.8(4) . . . . ?
P1 Ru1 C28 C29 179.0(3) . . . . ?
C27 Ru1 C28 C29 -117.6(6) . . . . ?
P2 Ru1 C28 C29 84.0(4) . . . . ?
C37 Ru1 C28 C27 79.2(6) . . . . ?
C31 Ru1 C28 C27 37.4(4) . . . . ?
C30 Ru1 C28 C27 79.8(4) . . . . ?
C29 Ru1 C28 C27 117.6(6) . . . . ?
P1 Ru1 C28 C27 -63.4(4) . . . . ?
P2 Ru1 C28 C27 -158.4(3) . . . . ?
C37 Ru1 C28 C32 -158.0(6) . . . . ?
C31 Ru1 C28 C32 160.3(7) . . . . ?
C30 Ru1 C28 C32 -157.3(8) . . . . ?
C29 Ru1 C28 C32 -119.5(8) . . . . ?
P1 Ru1 C28 C32 59.5(7) . . . . ?
C27 Ru1 C28 C32 122.9(8) . . . . ?
P2 Ru1 C28 C32 -35.5(7) . . . . ?
C27 C28 C29 C30 0.3(7) . . . . ?
C32 C28 C29 C30 -169.6(6) . . . . ?
Ru1 C28 C29 C30 62.9(4) . . . . ?
C27 C28 C29 C33 171.9(6) . . . . ?
C32 C28 C29 C33 2.0(11) . . . . ?
Ru1 C28 C29 C33 -125.5(7) . . . . ?
C27 C28 C29 Ru1 -62.6(4) . . . . ?
C32 C28 C29 Ru1 127.5(6) . . . . ?
C37 Ru1 C29 C28 159.7(4) . . . . ?
C31 Ru1 C29 C28 79.6(4) . . . . ?
C30 Ru1 C29 C28 116.8(6) . . . . ?
P1 Ru1 C29 C28 -2.2(8) . . . . ?
C27 Ru1 C29 C28 37.3(4) . . . . ?
P2 Ru1 C29 C28 -107.3(4) . . . . ?
C37 Ru1 C29 C30 42.9(5) . . . . ?
C31 Ru1 C29 C30 -37.2(4) . . . . ?
C28 Ru1 C29 C30 -116.8(6) . . . . ?
P1 Ru1 C29 C30 -119.0(5) . . . . ?
C27 Ru1 C29 C30 -79.5(5) . . . . ?
P2 Ru1 C29 C30 135.9(4) . . . . ?
C37 Ru1 C29 C33 -78.5(8) . . . . ?
C31 Ru1 C29 C33 -158.6(8) . . . . ?
C30 Ru1 C29 C33 -121.4(9) . . . . ?
C28 Ru1 C29 C33 121.8(9) . . . . ?
P1 Ru1 C29 C33 119.6(7) . . . . ?
C27 Ru1 C29 C33 159.1(8) . . . . ?
P2 Ru1 C29 C33 14.5(7) . . . . ?
C28 C29 C30 C31 -2.0(7) . . . . ?
C33 C29 C30 C31 -173.6(6) . . . . ?
Ru1 C29 C30 C31 61.5(5) . . . . ?
C28 C29 C30 C34 174.0(7) . . . . ?
C33 C29 C30 C34 2.4(11) . . . . ?
Ru1 C29 C30 C34 -122.5(7) . . . . ?
C28 C29 C30 Ru1 -63.5(4) . . . . ?
C33 C29 C30 Ru1 124.9(7) . . . . ?
C37 Ru1 C30 C31 99.3(4) . . . . ?
C29 Ru1 C30 C31 -117.6(6) . . . . ?
C28 Ru1 C30 C31 -80.4(4) . . . . ?
P1 Ru1 C30 C31 22.8(6) . . . . ?
C27 Ru1 C30 C31 -38.1(4) . . . . ?
P2 Ru1 C30 C31 -175.6(3) . . . . ?
C37 Ru1 C30 C29 -143.1(4) . . . . ?
C31 Ru1 C30 C29 117.6(6) . . . . ?
C28 Ru1 C30 C29 37.2(4) . . . . ?
P1 Ru1 C30 C29 140.4(4) . . . . ?
C27 Ru1 C30 C29 79.4(4) . . . . ?
P2 Ru1 C30 C29 -58.1(5) . . . . ?
C37 Ru1 C30 C34 -21.3(7) . . . . ?
C31 Ru1 C30 C34 -120.6(9) . . . . ?
C29 Ru1 C30 C34 121.8(9) . . . . ?
C28 Ru1 C30 C34 159.0(8) . . . . ?
P1 Ru1 C30 C34 -97.8(7) . . . . ?
C27 Ru1 C30 C34 -158.7(8) . . . . ?
P2 Ru1 C30 C34 63.7(8) . . . . ?
C29 C30 C31 C27 3.0(7) . . . . ?
C34 C30 C31 C27 -173.1(7) . . . . ?
Ru1 C30 C31 C27 65.1(5) . . . . ?
C29 C30 C31 C35 178.3(6) . . . . ?
C34 C30 C31 C35 2.2(11) . . . . ?
Ru1 C30 C31 C35 -119.6(7) . . . . ?
C29 C30 C31 Ru1 -62.2(5) . . . . ?
C34 C30 C31 Ru1 121.8(7) . . . . ?
C28 C27 C31 C30 -2.8(7) . . . . ?
C36 C27 C31 C30 171.0(7) . . . . ?
Ru1 C27 C31 C30 -64.6(5) . . . . ?
C28 C27 C31 C35 -178.1(6) . . . . ?
C36 C27 C31 C35 -4.4(11) . . . . ?
Ru1 C27 C31 C35 120.1(7) . . . . ?
C28 C27 C31 Ru1 61.8(4) . . . . ?
C36 C27 C31 Ru1 -124.5(7) . . . . ?
C37 Ru1 C31 C30 -82.2(4) . . . . ?
C29 Ru1 C31 C30 37.2(4) . . . . ?
C28 Ru1 C31 C30 78.7(4) . . . . ?
P1 Ru1 C31 C30 -167.2(4) . . . . ?
C27 Ru1 C31 C30 115.9(6) . . . . ?
P2 Ru1 C31 C30 12.6(9) . . . . ?
C37 Ru1 C31 C27 161.9(4) . . . . ?
C30 Ru1 C31 C27 -115.9(6) . . . . ?
C29 Ru1 C31 C27 -78.7(4) . . . . ?
C28 Ru1 C31 C27 -37.2(4) . . . . ?
P1 Ru1 C31 C27 76.9(4) . . . . ?
P2 Ru1 C31 C27 -103.4(7) . . . . ?
C37 Ru1 C31 C35 40.1(7) . . . . ?
C30 Ru1 C31 C35 122.2(8) . . . . ?
C29 Ru1 C31 C35 159.4(8) . . . . ?
C28 Ru1 C31 C35 -159.1(8) . . . . ?
P1 Ru1 C31 C35 -45.0(7) . . . . ?
C27 Ru1 C31 C35 -121.9(9) . . . . ?
P2 Ru1 C31 C35 134.8(7) . . . . ?
C31 Ru1 C37 C38 49(16) . . . . ?
C30 Ru1 C37 C38 13(15) . . . . ?
C29 Ru1 C37 C38 -12(16) . . . . ?
C28 Ru1 C37 C38 13(16) . . . . ?
P1 Ru1 C37 C38 161(16) . . . . ?
C27 Ru1 C37 C38 63(16) . . . . ?
P2 Ru1 C37 C38 -115(15) . . . . ?
Ru1 C37 C38 C39' -129(15) . . . . ?
Ru1 C37 C38 C39 -108(15) . . . . ?
C37 C38 C39 C40 -147(7) . . . . ?
C39' C38 C39 C40 -17(26) . . . . ?
C37 C38 C39 S1 19(8) . . . . ?
C39' C38 C39 S1 149(27) . . . . ?
C38 C39 C40 C41 167.6(6) . . . . ?
S1 C39 C40 C41 0.81(14) . . . . ?
C40 C39 S1 C42 -0.58(10) . . . . ?
C38 C39 S1 C42 -168.8(5) . . . . ?
C39 C40 C41 C42 -0.66(19) . . . . ?
C39 C40 C41 C46 -179.61(15) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
C40 C41 C42 C43 -179.1(2) . . . . ?
C46 C41 C42 S1 179.2(2) . . . . ?
C40 C41 C42 S1 0.19(19) . . . . ?
C39 S1 C42 C41 0.22(14) . . . . ?
C39 S1 C42 C43 179.37(18) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
S1 C42 C43 C44 -179.1(2) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C42 C43 C44 C47 179.4(4) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C47 C44 C45 C46 -179.5(3) . . . . ?
C43 C44 C45 S2 179.0(3) . . . . ?
C47 C44 C45 S2 -0.5(3) . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
S2 C45 C46 C41 -178.9(3) . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
C40 C41 C46 C45 178.9(3) . . . . ?
C45 C44 C47 C48 0.3(5) . . . . ?
C43 C44 C47 C48 -179.2(3) . . . . ?
C44 C47 C48 C49 173.4(8) . . . . ?
C44 C47 C48 S2 0.0(5) . . . . ?
C44 C45 S2 C48 0.4(3) . . . . ?
C46 C45 S2 C48 179.3(2) . . . . ?
C47 C48 S2 C45 -0.2(4) . . . . ?
C49 C48 S2 C45 -174.5(6) . . . . ?
C37 C38 C39' C40' 30(12) . . . . ?
C39 C38 C39' C40' -40(26) . . . . ?
C37 C38 C39' S1' -137(12) . . . . ?
C39 C38 C39' S1' 152(27) . . . . ?
C38 C39' C40' C41' -168.8(13) . . . . ?
S1' C39' C40' C41' -0.17(14) . . . . ?
C40' C39' S1' C42' 0.14(11) . . . . ?
C38 C39' S1' C42' 170.2(12) . . . . ?
C39' C40' C41' C42' 0.1(2) . . . . ?
C39' C40' C41' C46' 179.94(16) . . . . ?
C46' C41' C42' C43' 0.0 . . . . ?
C40' C41' C42' C43' 179.8(3) . . . . ?
C46' C41' C42' S1' -179.8(2) . . . . ?
C40' C41' C42' S1' 0.0(2) . . . . ?
C39' S1' C42' C41' -0.05(14) . . . . ?
C39' S1' C42' C43' -179.9(2) . . . . ?
C41' C42' C43' C44' 0.0 . . . . ?
S1' C42' C43' C44' 179.8(3) . . . . ?
C42' C43' C44' C45' 0.0 . . . . ?
C42' C43' C44' C47' -179.7(4) . . . . ?
C43' C44' C45' C46' 0.0 . . . . ?
C47' C44' C45' C46' 179.8(3) . . . . ?
C43' C44' C45' S2' -179.7(3) . . . . ?
C47' C44' C45' S2' 0.0(3) . . . . ?
C44' C45' C46' C41' 0.0 . . . . ?
S2' C45' C46' C41' 179.7(3) . . . . ?
C42' C41' C46' C45' 0.0 . . . . ?
C40' C41' C46' C45' -179.8(3) . . . . ?
C45' C44' C47' C48' 0.0(5) . . . . ?
C43' C44' C47' C48' 179.8(3) . . . . ?
C44' C47' C48' C49 -168.7(19) . . . . ?
C44' C47' C48' S2' 0.0(5) . . . . ?
C46' C45' S2' C48' -179.8(3) . . . . ?
C44' C45' S2' C48' 0.0(3) . . . . ?
C47' C48' S2' C45' 0.0(4) . . . . ?
C49 C48' S2' C45' 171.9(13) . . . . ?
C47 C48 C49 C50 112(25) . . . . ?
S2 C48 C49 C50 -75(25) . . . . ?
C47 C48 C49 C48' 158(12) . . . . ?
S2 C48 C49 C48' -29(12) . . . . ?
C47' C48' C49 C50 -39(10) . . . . ?
S2' C48' C49 C50 153(9) . . . . ?
C47' C48' C49 C48 154(13) . . . . ?
S2' C48' C49 C48 -15(11) . . . . ?
C48 C49 C50 Ru2 0(30) . . . . ?
C48' C49 C50 Ru2 -33(14) . . . . ?
C78 Ru2 C50 C49 46(6) . . . . ?
C79 Ru2 C50 C49 59(6) . . . . ?
C77 Ru2 C50 C49 11(6) . . . . ?
P4 Ru2 C50 C49 158(6) . . . . ?
C81 Ru2 C50 C49 -14(6) . . . . ?
P3 Ru2 C50 C49 -118(6) . . . . ?
C80 Ru2 C50 C49 7(6) . . . . ?
C56 C51 C52 C53 -1.8(14) . . . . ?
P3 C51 C52 C53 179.6(8) . . . . ?
C51 C52 C53 C54 0.4(17) . . . . ?
C52 C53 C54 C55 -0.5(19) . . . . ?
C53 C54 C55 C56 2.1(19) . . . . ?
C52 C51 C56 C55 3.4(14) . . . . ?
P3 C51 C56 C55 -178.0(8) . . . . ?
C54 C55 C56 C51 -3.5(17) . . . . ?
C62 C57 C58 C59 -2.7(11) . . . . ?
P3 C57 C58 C59 -175.0(7) . . . . ?
C57 C58 C59 C60 0.5(14) . . . . ?
C58 C59 C60 C61 0.9(16) . . . . ?
C59 C60 C61 C62 -0.1(16) . . . . ?
C58 C57 C62 C61 3.4(12) . . . . ?
P3 C57 C62 C61 175.7(7) . . . . ?
C60 C61 C62 C57 -2.1(14) . . . . ?
P3 C63 C64 P4 -42.9(6) . . . . ?
C70 C65 C66 C67 0.4(13) . . . . ?
P4 C65 C66 C67 178.2(7) . . . . ?
C65 C66 C67 C68 0.0(14) . . . . ?
C66 C67 C68 C69 -2.8(15) . . . . ?
C67 C68 C69 C70 5.0(15) . . . . ?
C66 C65 C70 C69 2.0(12) . . . . ?
P4 C65 C70 C69 -175.9(7) . . . . ?
C68 C69 C70 C65 -4.6(14) . . . . ?
C76 C71 C72 C73 3.4(13) . . . . ?
P4 C71 C72 C73 179.6(7) . . . . ?
C71 C72 C73 C74 -3.7(15) . . . . ?
C72 C73 C74 C75 3.0(18) . . . . ?
C73 C74 C75 C76 -2(2) . . . . ?
C74 C75 C76 C71 1.6(17) . . . . ?
C72 C71 C76 C75 -2.4(14) . . . . ?
P4 C71 C76 C75 -178.5(8) . . . . ?
C50 Ru2 C77 C78 101.8(5) . . . . ?
C79 Ru2 C77 C78 -37.7(5) . . . . ?
P4 Ru2 C77 C78 25.8(7) . . . . ?
C81 Ru2 C77 C78 -117.3(7) . . . . ?
P3 Ru2 C77 C78 -172.8(4) . . . . ?
C80 Ru2 C77 C78 -80.3(5) . . . . ?
C50 Ru2 C77 C81 -140.9(6) . . . . ?
C78 Ru2 C77 C81 117.3(7) . . . . ?
C79 Ru2 C77 C81 79.6(5) . . . . ?
P4 Ru2 C77 C81 143.0(4) . . . . ?
P3 Ru2 C77 C81 -55.5(6) . . . . ?
C80 Ru2 C77 C81 37.0(5) . . . . ?
C50 Ru2 C77 C82 -23.1(11) . . . . ?
C78 Ru2 C77 C82 -124.9(13) . . . . ?
C79 Ru2 C77 C82 -162.6(12) . . . . ?
P4 Ru2 C77 C82 -99.1(12) . . . . ?
C81 Ru2 C77 C82 117.8(14) . . . . ?
P3 Ru2 C77 C82 62.3(12) . . . . ?
C80 Ru2 C77 C82 154.8(12) . . . . ?
C81 C77 C78 C79 3.4(9) . . . . ?
C82 C77 C78 C79 -174.5(9) . . . . ?
Ru2 C77 C78 C79 65.7(5) . . . . ?
C81 C77 C78 C83 176.4(7) . . . . ?
C82 C77 C78 C83 -1.5(15) . . . . ?
Ru2 C77 C78 C83 -121.3(8) . . . . ?
C81 C77 C78 Ru2 -62.4(5) . . . . ?
C82 C77 C78 Ru2 119.8(10) . . . . ?
C50 Ru2 C78 C77 -79.5(5) . . . . ?
C79 Ru2 C78 C77 116.9(7) . . . . ?
P4 Ru2 C78 C77 -164.9(4) . . . . ?
C81 Ru2 C78 C77 37.6(5) . . . . ?
P3 Ru2 C78 C77 20.9(12) . . . . ?
C80 Ru2 C78 C77 79.4(5) . . . . ?
C50 Ru2 C78 C79 163.6(5) . . . . ?
C77 Ru2 C78 C79 -116.9(7) . . . . ?
P4 Ru2 C78 C79 78.2(5) . . . . ?
C81 Ru2 C78 C79 -79.3(5) . . . . ?
P3 Ru2 C78 C79 -96.0(10) . . . . ?
C80 Ru2 C78 C79 -37.5(5) . . . . ?
C50 Ru2 C78 C83 43.3(10) . . . . ?
C79 Ru2 C78 C83 -120.3(12) . . . . ?
C77 Ru2 C78 C83 122.8(12) . . . . ?
P4 Ru2 C78 C83 -42.1(10) . . . . ?
C81 Ru2 C78 C83 160.4(11) . . . . ?
P3 Ru2 C78 C83 143.7(9) . . . . ?
C80 Ru2 C78 C83 -157.9(11) . . . . ?
C77 C78 C79 C80 -3.1(9) . . . . ?
C83 C78 C79 C80 -176.3(7) . . . . ?
Ru2 C78 C79 C80 63.2(5) . . . . ?
C77 C78 C79 C84 168.8(8) . . . . ?
C83 C78 C79 C84 -4.4(13) . . . . ?
Ru2 C78 C79 C84 -124.9(8) . . . . ?
C77 C78 C79 Ru2 -66.3(6) . . . . ?
C83 C78 C79 Ru2 120.5(8) . . . . ?
C50 Ru2 C79 C78 -21.7(7) . . . . ?
C77 Ru2 C79 C78 37.0(5) . . . . ?
P4 Ru2 C79 C78 -112.7(5) . . . . ?
C81 Ru2 C79 C78 79.5(5) . . . . ?
P3 Ru2 C79 C78 153.8(4) . . . . ?
C80 Ru2 C79 C78 117.2(7) . . . . ?
C50 Ru2 C79 C80 -138.9(5) . . . . ?
C78 Ru2 C79 C80 -117.2(7) . . . . ?
C77 Ru2 C79 C80 -80.2(5) . . . . ?
P4 Ru2 C79 C80 130.2(4) . . . . ?
C81 Ru2 C79 C80 -37.6(4) . . . . ?
P3 Ru2 C79 C80 36.7(6) . . . . ?
C50 Ru2 C79 C84 102.2(9) . . . . ?
C78 Ru2 C79 C84 123.9(11) . . . . ?
C77 Ru2 C79 C84 160.8(10) . . . . ?
P4 Ru2 C79 C84 11.2(9) . . . . ?
C81 Ru2 C79 C84 -156.6(10) . . . . ?
P3 Ru2 C79 C84 -82.3(9) . . . . ?
C80 Ru2 C79 C84 -119.0(11) . . . . ?
C78 C79 C80 C81 1.6(8) . . . . ?
C84 C79 C80 C81 -170.9(7) . . . . ?
Ru2 C79 C80 C81 62.7(5) . . . . ?
C78 C79 C80 C85 169.9(7) . . . . ?
C84 C79 C80 C85 -2.6(12) . . . . ?
Ru2 C79 C80 C85 -129.0(7) . . . . ?
C78 C79 C80 Ru2 -61.1(5) . . . . ?
C84 C79 C80 Ru2 126.4(7) . . . . ?
C50 Ru2 C80 C81 -33.4(8) . . . . ?
C78 Ru2 C80 C81 -78.8(5) . . . . ?
C79 Ru2 C80 C81 -116.0(6) . . . . ?
C77 Ru2 C80 C81 -37.6(5) . . . . ?
P4 Ru2 C80 C81 -178.5(4) . . . . ?
P3 Ru2 C80 C81 86.9(4) . . . . ?
C50 Ru2 C80 C79 82.6(7) . . . . ?
C78 Ru2 C80 C79 37.2(5) . . . . ?
C77 Ru2 C80 C79 78.4(5) . . . . ?
P4 Ru2 C80 C79 -62.5(5) . . . . ?
C81 Ru2 C80 C79 116.0(6) . . . . ?
P3 Ru2 C80 C79 -157.1(4) . . . . ?
C50 Ru2 C80 C85 -153.6(8) . . . . ?
C78 Ru2 C80 C85 161.1(10) . . . . ?
C79 Ru2 C80 C85 123.9(10) . . . . ?
C77 Ru2 C80 C85 -157.7(10) . . . . ?
P4 Ru2 C80 C85 61.3(9) . . . . ?
C81 Ru2 C80 C85 -120.2(10) . . . . ?
P3 Ru2 C80 C85 -33.2(9) . . . . ?
C79 C80 C81 C77 0.4(8) . . . . ?
C85 C80 C81 C77 -168.4(7) . . . . ?
Ru2 C80 C81 C77 62.3(5) . . . . ?
C79 C80 C81 C86 172.8(8) . . . . ?
C85 C80 C81 C86 4.0(12) . . . . ?
Ru2 C80 C81 C86 -125.3(8) . . . . ?
C79 C80 C81 Ru2 -61.8(5) . . . . ?
C85 C80 C81 Ru2 129.3(7) . . . . ?
C78 C77 C81 C80 -2.3(9) . . . . ?
C82 C77 C81 C80 175.7(8) . . . . ?
Ru2 C77 C81 C80 -63.0(5) . . . . ?
C78 C77 C81 C86 -174.5(8) . . . . ?
C82 C77 C81 C86 3.5(13) . . . . ?
Ru2 C77 C81 C86 124.8(8) . . . . ?
C78 C77 C81 Ru2 60.6(5) . . . . ?
C82 C77 C81 Ru2 -121.3(9) . . . . ?
C50 Ru2 C81 C80 161.9(4) . . . . ?
C78 Ru2 C81 C80 80.5(5) . . . . ?
C79 Ru2 C81 C80 38.3(4) . . . . ?
C77 Ru2 C81 C80 117.2(7) . . . . ?
P4 Ru2 C81 C80 3.5(9) . . . . ?
P3 Ru2 C81 C80 -104.2(4) . . . . ?
C50 Ru2 C81 C77 44.8(6) . . . . ?
C78 Ru2 C81 C77 -36.7(5) . . . . ?
C79 Ru2 C81 C77 -78.9(6) . . . . ?
P4 Ru2 C81 C77 -113.7(7) . . . . ?
P3 Ru2 C81 C77 138.7(5) . . . . ?
C80 Ru2 C81 C77 -117.2(7) . . . . ?
C50 Ru2 C81 C86 -77.3(9) . . . . ?
C78 Ru2 C81 C86 -158.8(10) . . . . ?
C79 Ru2 C81 C86 159.0(10) . . . . ?
C77 Ru2 C81 C86 -122.1(11) . . . . ?
P4 Ru2 C81 C86 124.2(8) . . . . ?
P3 Ru2 C81 C86 16.6(9) . . . . ?
C80 Ru2 C81 C86 120.8(11) . . . . ?
C92 C87 C88 C89 0.1(14) . . . . ?
P5 C87 C88 C89 -177.7(8) . . . . ?
C87 C88 C89 C90 -1.8(18) . . . . ?
C88 C89 C90 C91 3.8(19) . . . . ?
C89 C90 C91 C92 -4.1(17) . . . . ?
C88 C87 C92 C91 -0.4(13) . . . . ?
P5 C87 C92 C91 177.5(7) . . . . ?
C90 C91 C92 C87 2.5(15) . . . . ?
C98 C93 C94 C95 0.4(14) . . . . ?
P5 C93 C94 C95 -175.5(8) . . . . ?
C93 C94 C95 C96 -2.2(17) . . . . ?
C94 C95 C96 C97 4(2) . . . . ?
C95 C96 C97 C98 -3(2) . . . . ?
C94 C93 C98 C97 0.0(14) . . . . ?
P5 C93 C98 C97 176.1(8) . . . . ?
C96 C97 C98 C93 1.4(18) . . . . ?
P5 C99 C100 P6 28.4(9) . . . . ?
C106 C101 C102 C103 -1.5(15) . . . . ?
P6 C101 C102 C103 -176.7(8) . . . . ?
C101 C102 C103 C104 1.6(17) . . . . ?
C102 C103 C104 C105 -3(2) . . . . ?
C103 C104 C105 C106 3(2) . . . . ?
C104 C105 C106 C101 -3(2) . . . . ?
C102 C101 C106 C105 2.3(16) . . . . ?
P6 C101 C106 C105 177.5(9) . . . . ?
C112 C107 C108 C109 -1.8(15) . . . . ?
P6 C107 C108 C109 -176.2(9) . . . . ?
C107 C108 C109 C110 2.5(19) . . . . ?
C108 C109 C110 C111 -5(2) . . . . ?
C109 C110 C111 C112 7(2) . . . . ?
C108 C107 C112 C111 4.1(16) . . . . ?
P6 C107 C112 C111 178.2(10) . . . . ?
C110 C111 C112 C107 -7(2) . . . . ?
C123 Ru3 C113 C117 -93.6(8) . . . . ?
C116 Ru3 C113 C117 -37.2(5) . . . . ?
C115 Ru3 C113 C117 -80.3(6) . . . . ?
P5 Ru3 C113 C117 61.4(5) . . . . ?
P6 Ru3 C113 C117 154.4(5) . . . . ?
C114 Ru3 C113 C117 -118.9(7) . . . . ?
C123 Ru3 C113 C114 25.3(9) . . . . ?
C116 Ru3 C113 C114 81.7(6) . . . . ?
C115 Ru3 C113 C114 38.6(5) . . . . ?
P5 Ru3 C113 C114 -179.7(4) . . . . ?
C117 Ru3 C113 C114 118.9(7) . . . . ?
P6 Ru3 C113 C114 -86.7(5) . . . . ?
C123 Ru3 C113 C118 142.8(9) . . . . ?
C116 Ru3 C113 C118 -160.7(12) . . . . ?
C115 Ru3 C113 C118 156.2(12) . . . . ?
P5 Ru3 C113 C118 -62.2(11) . . . . ?
C117 Ru3 C113 C118 -123.5(13) . . . . ?
P6 Ru3 C113 C118 30.9(11) . . . . ?
C114 Ru3 C113 C118 117.6(12) . . . . ?
C117 C113 C114 C115 0.2(9) . . . . ?
C118 C113 C114 C115 170.3(8) . . . . ?
Ru3 C113 C114 C115 -62.2(5) . . . . ?
C117 C113 C114 C119 -170.9(9) . . . . ?
C118 C113 C114 C119 -0.7(14) . . . . ?
Ru3 C113 C114 C119 126.8(10) . . . . ?
C117 C113 C114 Ru3 62.3(5) . . . . ?
C118 C113 C114 Ru3 -127.5(8) . . . . ?
C123 Ru3 C114 C113 -166.4(5) . . . . ?
C116 Ru3 C114 C113 -78.3(6) . . . . ?
C115 Ru3 C114 C113 -115.4(8) . . . . ?
P5 Ru3 C114 C113 0.5(9) . . . . ?
C117 Ru3 C114 C113 -35.7(5) . . . . ?
P6 Ru3 C114 C113 105.1(5) . . . . ?
C123 Ru3 C114 C115 -51.0(6) . . . . ?
C116 Ru3 C114 C115 37.0(5) . . . . ?
P5 Ru3 C114 C115 115.9(7) . . . . ?
C117 Ru3 C114 C115 79.7(6) . . . . ?
P6 Ru3 C114 C115 -139.6(5) . . . . ?
C113 Ru3 C114 C115 115.4(8) . . . . ?
C123 Ru3 C114 C119 69.7(10) . . . . ?
C116 Ru3 C114 C119 157.7(10) . . . . ?
C115 Ru3 C114 C119 120.7(12) . . . . ?
P5 Ru3 C114 C119 -123.4(9) . . . . ?
C117 Ru3 C114 C119 -159.6(10) . . . . ?
P6 Ru3 C114 C119 -18.9(10) . . . . ?
C113 Ru3 C114 C119 -123.9(11) . . . . ?
C113 C114 C115 C116 1.7(9) . . . . ?
C119 C114 C115 C116 173.0(9) . . . . ?
Ru3 C114 C115 C116 -61.0(6) . . . . ?
C113 C114 C115 C120 -174.5(9) . . . . ?
C119 C114 C115 C120 -3.2(15) . . . . ?
Ru3 C114 C115 C120 122.8(10) . . . . ?
C113 C114 C115 Ru3 62.8(5) . . . . ?
C119 C114 C115 Ru3 -126.0(9) . . . . ?
C123 Ru3 C115 C114 135.3(6) . . . . ?
C116 Ru3 C115 C114 -118.6(8) . . . . ?
P5 Ru3 C115 C114 -139.1(5) . . . . ?
C117 Ru3 C115 C114 -79.1(6) . . . . ?
P6 Ru3 C115 C114 55.1(6) . . . . ?
C113 Ru3 C115 C114 -38.1(5) . . . . ?
C123 Ru3 C115 C116 -106.1(5) . . . . ?
P5 Ru3 C115 C116 -20.5(8) . . . . ?
C117 Ru3 C115 C116 39.5(5) . . . . ?
P6 Ru3 C115 C116 173.7(4) . . . . ?
C113 Ru3 C115 C116 80.5(6) . . . . ?
C114 Ru3 C115 C116 118.6(8) . . . . ?
C123 Ru3 C115 C120 12.8(10) . . . . ?
C116 Ru3 C115 C120 119.0(12) . . . . ?
P5 Ru3 C115 C120 98.5(10) . . . . ?
C117 Ru3 C115 C120 158.5(11) . . . . ?
P6 Ru3 C115 C120 -67.3(10) . . . . ?
C113 Ru3 C115 C120 -160.5(11) . . . . ?
C114 Ru3 C115 C120 -122.4(12) . . . . ?
C114 C115 C116 C117 -2.9(9) . . . . ?
C120 C115 C116 C117 173.4(8) . . . . ?
Ru3 C115 C116 C117 -65.3(5) . . . . ?
C114 C115 C116 C121 -175.1(9) . . . . ?
C120 C115 C116 C121 1.2(15) . . . . ?
Ru3 C115 C116 C121 122.5(9) . . . . ?
C114 C115 C116 Ru3 62.4(6) . . . . ?
C120 C115 C116 Ru3 -121.3(9) . . . . ?
C123 Ru3 C116 C117 -169.5(5) . . . . ?
C115 Ru3 C116 C117 113.5(7) . . . . ?
P5 Ru3 C116 C117 -78.3(5) . . . . ?
P6 Ru3 C116 C117 91.7(12) . . . . ?
C113 Ru3 C116 C117 35.4(5) . . . . ?
C114 Ru3 C116 C117 77.0(6) . . . . ?
C123 Ru3 C116 C115 76.9(5) . . . . ?
P5 Ru3 C116 C115 168.2(5) . . . . ?
C117 Ru3 C116 C115 -113.5(7) . . . . ?
P6 Ru3 C116 C115 -21.8(14) . . . . ?
C113 Ru3 C116 C115 -78.2(6) . . . . ?
C114 Ru3 C116 C115 -36.5(5) . . . . ?
C123 Ru3 C116 C121 -44.5(10) . . . . ?
C115 Ru3 C116 C121 -121.4(12) . . . . ?
P5 Ru3 C116 C121 46.8(10) . . . . ?
C117 Ru3 C116 C121 125.0(12) . . . . ?
P6 Ru3 C116 C121 -143.2(10) . . . . ?
C113 Ru3 C116 C121 160.4(11) . . . . ?
C114 Ru3 C116 C121 -158.0(11) . . . . ?
C114 C113 C117 C116 -2.0(9) . . . . ?
C118 C113 C117 C116 -171.6(8) . . . . ?
Ru3 C113 C117 C116 60.5(6) . . . . ?
C114 C113 C117 C122 174.1(8) . . . . ?
C118 C113 C117 C122 4.4(14) . . . . ?
Ru3 C113 C117 C122 -123.5(9) . . . . ?
C114 C113 C117 Ru3 -62.5(6) . . . . ?
C118 C113 C117 Ru3 127.9(8) . . . . ?
C115 C116 C117 C113 3.0(9) . . . . ?
C121 C116 C117 C113 174.9(9) . . . . ?
Ru3 C116 C117 C113 -62.0(5) . . . . ?
C115 C116 C117 C122 -173.4(8) . . . . ?
C121 C116 C117 C122 -1.5(14) . . . . ?
Ru3 C116 C117 C122 121.6(8) . . . . ?
C115 C116 C117 Ru3 65.0(6) . . . . ?
C121 C116 C117 Ru3 -123.1(10) . . . . ?
C123 Ru3 C117 C113 134.0(6) . . . . ?
C116 Ru3 C117 C113 119.0(8) . . . . ?
C115 Ru3 C117 C113 79.3(6) . . . . ?
P5 Ru3 C117 C113 -129.4(5) . . . . ?
P6 Ru3 C117 C113 -40.0(7) . . . . ?
C114 Ru3 C117 C113 36.7(5) . . . . ?
C123 Ru3 C117 C116 15.0(7) . . . . ?
C115 Ru3 C117 C116 -39.6(5) . . . . ?
P5 Ru3 C117 C116 111.6(5) . . . . ?
P6 Ru3 C117 C116 -159.0(4) . . . . ?
C113 Ru3 C117 C116 -119.0(8) . . . . ?
C114 Ru3 C117 C116 -82.3(6) . . . . ?
C123 Ru3 C117 C122 -100.3(9) . . . . ?
C116 Ru3 C117 C122 -115.3(11) . . . . ?
C115 Ru3 C117 C122 -154.9(10) . . . . ?
P5 Ru3 C117 C122 -3.7(9) . . . . ?
P6 Ru3 C117 C122 85.7(10) . . . . ?
C113 Ru3 C117 C122 125.7(11) . . . . ?
C114 Ru3 C117 C122 162.4(10) . . . . ?
C116 Ru3 C123 C124 -74(5) . . . . ?
C115 Ru3 C123 C124 -38(5) . . . . ?
P5 Ru3 C123 C124 175(5) . . . . ?
C117 Ru3 C123 C124 -84(5) . . . . ?
P6 Ru3 C123 C124 93(5) . . . . ?
C113 Ru3 C123 C124 -26(5) . . . . ?
C114 Ru3 C123 C124 -10(5) . . . . ?
Ru3 C123 C124 C125 -30(8) . . . . ?
C123 C124 C125 C126 97(4) . . . . ?
C123 C124 C125 S3 -77(4) . . . . ?
C124 C125 C126 C127 -176.8(7) . . . . ?
S3 C125 C126 C127 -3.3(8) . . . . ?
C125 C126 C127 C129 -179.3(8) . . . . ?
C125 C126 C127 C128 2.1(9) . . . . ?
C129 C127 C128 C129 -0.9(14) . . . 2_577 ?
C126 C127 C128 C129 177.9(8) . . . 2_577 ?
C129 C127 C128 S3 -178.9(6) . . . . ?
C126 C127 C128 S3 -0.1(8) . . . . ?
C128 C127 C129 C128 0.8(13) . . . 2_577 ?
C126 C127 C129 C128 -177.8(8) . . . 2_577 ?
C6S C1S C2S C3S 0.0 . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C2S C3S C4S C7S 167.9(15) . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C7S C4S C5S C6S -167.2(15) . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C6 C1 P1 C7 -153.7(6) . . . . ?
C2 C1 P1 C7 35.0(7) . . . . ?
C6 C1 P1 C13 -46.8(6) . . . . ?
C2 C1 P1 C13 141.9(6) . . . . ?
C6 C1 P1 Ru1 73.1(6) . . . . ?
C2 C1 P1 Ru1 -98.2(6) . . . . ?
C12 C7 P1 C1 -132.9(6) . . . . ?
C8 C7 P1 C1 46.8(7) . . . . ?
C12 C7 P1 C13 117.6(6) . . . . ?
C8 C7 P1 C13 -62.7(7) . . . . ?
C12 C7 P1 Ru1 -2.2(7) . . . . ?
C8 C7 P1 Ru1 177.6(5) . . . . ?
C14 C13 P1 C1 176.8(4) . . . . ?
C14 C13 P1 C7 -77.2(5) . . . . ?
C14 C13 P1 Ru1 51.2(4) . . . . ?
C37 Ru1 P1 C1 -61.3(3) . . . . ?
C31 Ru1 P1 C1 31.5(3) . . . . ?
C30 Ru1 P1 C1 16.8(5) . . . . ?
C29 Ru1 P1 C1 102.7(5) . . . . ?
C28 Ru1 P1 C1 101.2(3) . . . . ?
C27 Ru1 P1 C1 68.1(3) . . . . ?
P2 Ru1 P1 C1 -148.5(3) . . . . ?
C37 Ru1 P1 C7 174.9(3) . . . . ?
C31 Ru1 P1 C7 -92.3(3) . . . . ?
C30 Ru1 P1 C7 -107.0(4) . . . . ?
C29 Ru1 P1 C7 -21.1(6) . . . . ?
C28 Ru1 P1 C7 -22.6(3) . . . . ?
C27 Ru1 P1 C7 -55.7(3) . . . . ?
P2 Ru1 P1 C7 87.7(3) . . . . ?
C37 Ru1 P1 C13 57.6(3) . . . . ?
C31 Ru1 P1 C13 150.4(3) . . . . ?
C30 Ru1 P1 C13 135.8(4) . . . . ?
C29 Ru1 P1 C13 -138.3(5) . . . . ?
C28 Ru1 P1 C13 -139.9(3) . . . . ?
C27 Ru1 P1 C13 -172.9(3) . . . . ?
P2 Ru1 P1 C13 -29.5(2) . . . . ?
C22 C21 P2 C15 35.0(6) . . . . ?
C26 C21 P2 C15 -151.2(6) . . . . ?
C22 C21 P2 C14 141.9(6) . . . . ?
C26 C21 P2 C14 -44.3(7) . . . . ?
C22 C21 P2 Ru1 -96.3(6) . . . . ?
C26 C21 P2 Ru1 77.5(6) . . . . ?
C16 C15 P2 C21 65.1(6) . . . . ?
C20 C15 P2 C21 -116.8(6) . . . . ?
C16 C15 P2 C14 -40.8(7) . . . . ?
C20 C15 P2 C14 137.3(6) . . . . ?
C16 C15 P2 Ru1 -163.1(5) . . . . ?
C20 C15 P2 Ru1 15.0(6) . . . . ?
C13 C14 P2 C21 151.1(4) . . . . ?
C13 C14 P2 C15 -104.9(5) . . . . ?
C13 C14 P2 Ru1 23.0(5) . . . . ?
C37 Ru1 P2 C21 164.3(3) . . . . ?
C31 Ru1 P2 C21 68.3(7) . . . . ?
C30 Ru1 P2 C21 77.8(4) . . . . ?
C29 Ru1 P2 C21 46.1(3) . . . . ?
C28 Ru1 P2 C21 8.8(3) . . . . ?
P1 Ru1 P2 C21 -111.9(3) . . . . ?
C27 Ru1 P2 C21 -13.0(4) . . . . ?
C37 Ru1 P2 C15 41.7(3) . . . . ?
C31 Ru1 P2 C15 -54.3(7) . . . . ?
C30 Ru1 P2 C15 -44.9(3) . . . . ?
C29 Ru1 P2 C15 -76.5(3) . . . . ?
C28 Ru1 P2 C15 -113.8(3) . . . . ?
P1 Ru1 P2 C15 125.5(2) . . . . ?
C27 Ru1 P2 C15 -135.6(4) . . . . ?
C37 Ru1 P2 C14 -77.6(3) . . . . ?
C31 Ru1 P2 C14 -173.6(7) . . . . ?
C30 Ru1 P2 C14 -164.1(3) . . . . ?
C29 Ru1 P2 C14 164.3(3) . . . . ?
C28 Ru1 P2 C14 127.0(3) . . . . ?
P1 Ru1 P2 C14 6.2(2) . . . . ?
C27 Ru1 P2 C14 105.1(4) . . . . ?
C58 C57 P3 C51 -151.6(6) . . . . ?
C62 C57 P3 C51 36.4(7) . . . . ?
C58 C57 P3 C63 -45.1(7) . . . . ?
C62 C57 P3 C63 142.9(6) . . . . ?
C58 C57 P3 Ru2 77.0(6) . . . . ?
C62 C57 P3 Ru2 -95.0(6) . . . . ?
C56 C51 P3 C57 -115.0(7) . . . . ?
C52 C51 P3 C57 63.6(7) . . . . ?
C56 C51 P3 C63 139.4(7) . . . . ?
C52 C51 P3 C63 -42.0(8) . . . . ?
C56 C51 P3 Ru2 16.0(8) . . . . ?
C52 C51 P3 Ru2 -165.4(6) . . . . ?
C64 C63 P3 C57 149.0(5) . . . . ?
C64 C63 P3 C51 -107.2(5) . . . . ?
C64 C63 P3 Ru2 21.7(6) . . . . ?
C50 Ru2 P3 C57 163.7(3) . . . . ?
C78 Ru2 P3 C57 62.2(9) . . . . ?
C79 Ru2 P3 C57 -12.9(4) . . . . ?
C77 Ru2 P3 C57 77.8(4) . . . . ?
P4 Ru2 P3 C57 -112.4(3) . . . . ?
C81 Ru2 P3 C57 47.1(4) . . . . ?
C80 Ru2 P3 C57 9.5(3) . . . . ?
C50 Ru2 P3 C51 41.4(4) . . . . ?
C78 Ru2 P3 C51 -60.1(9) . . . . ?
C79 Ru2 P3 C51 -135.2(4) . . . . ?
C77 Ru2 P3 C51 -44.5(4) . . . . ?
P4 Ru2 P3 C51 125.3(3) . . . . ?
C81 Ru2 P3 C51 -75.2(4) . . . . ?
C80 Ru2 P3 C51 -112.8(3) . . . . ?
C50 Ru2 P3 C63 -78.5(3) . . . . ?
C78 Ru2 P3 C63 180.0(9) . . . . ?
C79 Ru2 P3 C63 104.9(4) . . . . ?
C77 Ru2 P3 C63 -164.4(4) . . . . ?
P4 Ru2 P3 C63 5.4(3) . . . . ?
C81 Ru2 P3 C63 164.9(3) . . . . ?
C80 Ru2 P3 C63 127.3(3) . . . . ?
C63 C64 P4 C65 -79.0(6) . . . . ?
C63 C64 P4 C71 174.3(5) . . . . ?
C63 C64 P4 Ru2 47.6(5) . . . . ?
C70 C65 P4 C64 111.0(7) . . . . ?
C66 C65 P4 C64 -66.8(7) . . . . ?
C70 C65 P4 C71 -140.2(7) . . . . ?
C66 C65 P4 C71 42.0(7) . . . . ?
C70 C65 P4 Ru2 -7.7(8) . . . . ?
C66 C65 P4 Ru2 174.5(6) . . . . ?
C72 C71 P4 C64 144.8(7) . . . . ?
C76 C71 P4 C64 -39.2(7) . . . . ?
C72 C71 P4 C65 38.6(7) . . . . ?
C76 C71 P4 C65 -145.3(7) . . . . ?
C72 C71 P4 Ru2 -94.8(7) . . . . ?
C76 C71 P4 Ru2 81.2(7) . . . . ?
C50 Ru2 P4 C64 61.6(3) . . . . ?
C78 Ru2 P4 C64 155.1(4) . . . . ?
C79 Ru2 P4 C64 -168.3(3) . . . . ?
C77 Ru2 P4 C64 139.1(5) . . . . ?
C81 Ru2 P4 C64 -137.7(6) . . . . ?
P3 Ru2 P4 C64 -26.5(3) . . . . ?
C80 Ru2 P4 C64 -135.3(3) . . . . ?
C50 Ru2 P4 C65 177.1(4) . . . . ?
C78 Ru2 P4 C65 -89.3(4) . . . . ?
C79 Ru2 P4 C65 -52.7(4) . . . . ?
C77 Ru2 P4 C65 -105.4(5) . . . . ?
C81 Ru2 P4 C65 -22.2(7) . . . . ?
P3 Ru2 P4 C65 89.1(3) . . . . ?
C80 Ru2 P4 C65 -19.7(4) . . . . ?
C50 Ru2 P4 C71 -57.4(4) . . . . ?
C78 Ru2 P4 C71 36.1(4) . . . . ?
C79 Ru2 P4 C71 72.7(4) . . . . ?
C77 Ru2 P4 C71 20.1(5) . . . . ?
C81 Ru2 P4 C71 103.3(7) . . . . ?
P3 Ru2 P4 C71 -145.4(3) . . . . ?
C80 Ru2 P4 C71 105.7(4) . . . . ?
C88 C87 P5 C93 -26.5(8) . . . . ?
C92 C87 P5 C93 155.8(7) . . . . ?
C88 C87 P5 C99 -131.7(8) . . . . ?
C92 C87 P5 C99 50.6(8) . . . . ?
C88 C87 P5 Ru3 106.9(7) . . . . ?
C92 C87 P5 Ru3 -70.8(7) . . . . ?
C94 C93 P5 C87 -49.6(8) . . . . ?
C98 C93 P5 C87 134.5(7) . . . . ?
C94 C93 P5 C99 59.1(8) . . . . ?
C98 C93 P5 C99 -116.8(7) . . . . ?
C94 C93 P5 Ru3 176.9(6) . . . . ?
C98 C93 P5 Ru3 1.0(8) . . . . ?
C100 C99 P5 C87 -172.1(7) . . . . ?
C100 C99 P5 C93 81.5(7) . . . . ?
C100 C99 P5 Ru3 -43.8(7) . . . . ?
C123 Ru3 P5 C87 70.0(4) . . . . ?
C116 Ru3 P5 C87 -29.4(4) . . . . ?
C115 Ru3 P5 C87 -16.2(6) . . . . ?
C117 Ru3 P5 C87 -66.5(4) . . . . ?
P6 Ru3 P5 C87 152.9(3) . . . . ?
C113 Ru3 P5 C87 -97.8(4) . . . . ?
C114 Ru3 P5 C87 -98.2(7) . . . . ?
C123 Ru3 P5 C93 -164.1(4) . . . . ?
C116 Ru3 P5 C93 96.6(4) . . . . ?
C115 Ru3 P5 C93 109.7(5) . . . . ?
C117 Ru3 P5 C93 59.4(4) . . . . ?
P6 Ru3 P5 C93 -81.2(3) . . . . ?
C113 Ru3 P5 C93 28.1(4) . . . . ?
C114 Ru3 P5 C93 27.8(7) . . . . ?
C123 Ru3 P5 C99 -50.1(3) . . . . ?
C116 Ru3 P5 C99 -149.4(4) . . . . ?
C115 Ru3 P5 C99 -136.3(5) . . . . ?
C117 Ru3 P5 C99 173.4(4) . . . . ?
P6 Ru3 P5 C99 32.8(3) . . . . ?
C113 Ru3 P5 C99 142.1(4) . . . . ?
C114 Ru3 P5 C99 141.7(6) . . . . ?
C102 C101 P6 C107 119.8(8) . . . . ?
C106 C101 P6 C107 -55.2(9) . . . . ?
C102 C101 P6 C100 -134.7(8) . . . . ?
C106 C101 P6 C100 50.3(9) . . . . ?
C102 C101 P6 Ru3 -12.6(9) . . . . ?
C106 C101 P6 Ru3 172.3(7) . . . . ?
C112 C107 P6 C101 143.4(9) . . . . ?
C108 C107 P6 C101 -42.4(8) . . . . ?
C112 C107 P6 C100 38.2(9) . . . . ?
C108 C107 P6 C100 -147.6(7) . . . . ?
C112 C107 P6 Ru3 -85.4(9) . . . . ?
C108 C107 P6 Ru3 88.8(7) . . . . ?
C99 C100 P6 C101 125.6(8) . . . . ?
C99 C100 P6 C107 -132.6(8) . . . . ?
C99 C100 P6 Ru3 -2.3(9) . . . . ?
C123 Ru3 P6 C101 -48.4(4) . . . . ?
C116 Ru3 P6 C101 52.2(12) . . . . ?
C115 Ru3 P6 C101 35.0(5) . . . . ?
P5 Ru3 P6 C101 -137.3(3) . . . . ?
C117 Ru3 P6 C101 127.3(5) . . . . ?
C113 Ru3 P6 C101 103.8(4) . . . . ?
C114 Ru3 P6 C101 65.7(4) . . . . ?
C123 Ru3 P6 C107 -170.1(4) . . . . ?
C116 Ru3 P6 C107 -69.4(12) . . . . ?
C115 Ru3 P6 C107 -86.7(5) . . . . ?
P5 Ru3 P6 C107 101.1(4) . . . . ?
C117 Ru3 P6 C107 5.7(5) . . . . ?
C113 Ru3 P6 C107 -17.9(5) . . . . ?
C114 Ru3 P6 C107 -55.9(5) . . . . ?
C123 Ru3 P6 C100 69.8(4) . . . . ?
C116 Ru3 P6 C100 170.5(12) . . . . ?
C115 Ru3 P6 C100 153.2(5) . . . . ?
P5 Ru3 P6 C100 -19.0(4) . . . . ?
C117 Ru3 P6 C100 -114.4(5) . . . . ?
C113 Ru3 P6 C100 -138.0(5) . . . . ?
C114 Ru3 P6 C100 -176.0(5) . . . . ?
C129 C128 S3 C125 -179.4(8) 2_577 . . . ?
C127 C128 S3 C125 -1.5(6) . . . . ?
C126 C125 S3 C128 2.9(6) . . . . ?
C124 C125 S3 C128 177.0(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.408
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.154
####################################################################### 
# 
# 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_mo_120508j_0m
_database_code_depnum_ccdc_archive 'CCDC 1430066'
_audit_update_record             
;
2015-10-07 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C345 H328 Cl2 P16 Ru8 S8'
_chemical_formula_weight         6105.53

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2/n

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

_cell_length_a                   16.6322(16)
_cell_length_b                   24.054(2)
_cell_length_c                   38.040(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.785(2)
_cell_angle_gamma                90.00
_cell_volume                     15112(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9953
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      27.77

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6304
_exptl_absorpt_coefficient_mu    0.602
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            109441
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         1.00
_diffrn_reflns_theta_max         25.50
_reflns_number_total             28003
_reflns_number_gt                19727
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
calc w=1/[σ²(Fo²)+(0.0720P)²+15.4806P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         28003
_refine_ls_number_parameters     1755
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0502
_refine_ls_wR_factor_ref         0.1457
_refine_ls_wR_factor_gt          0.1298
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.328
_refine_ls_shift/su_mean         0.003

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1A Ru 0.58908(2) 0.557883(14) 0.222817(9) 0.03361(9) Uani 1 1 d . A .
Ru2A Ru 0.27928(2) 0.712278(16) 0.539541(9) 0.04049(10) Uani 1 1 d . A .
C1A C 0.45796(19) 0.73962(9) 0.34808(8) 0.0428(11) Uani 1 1 d GD . .
C2A C 0.4664(2) 0.77991(12) 0.32258(6) 0.0486(12) Uani 1 1 d GD A .
C3A C 0.4528(2) 0.83552(11) 0.32984(7) 0.0553(13) Uani 1 1 d G A .
H3A H 0.4584 0.8625 0.3128 0.066 Uiso 1 1 calc R . .
C4A C 0.4307(2) 0.85085(9) 0.36259(8) 0.0520(12) Uani 1 1 d G A .
H4A H 0.4215 0.8881 0.3674 0.062 Uiso 1 1 calc R . .
C5A C 0.42219(19) 0.81056(12) 0.38809(6) 0.0450(11) Uani 1 1 d GD A .
C6A C 0.43584(19) 0.75495(10) 0.38084(7) 0.0427(11) Uani 1 1 d GD A .
C7A C 0.4877(14) 0.7502(4) 0.2921(3) 0.070(6) Uani 0.589(4) 1 d PD A 1
H7A H 0.4948 0.7684 0.2712 0.084 Uiso 0.589(4) 1 calc PR A 1
C8A C 0.4971(3) 0.69322(19) 0.29553(12) 0.0428(11) Uani 1 1 d D . .
C9A C 0.5208(3) 0.6522(2) 0.27126(12) 0.0445(11) Uani 1 1 d . A .
C10A C 0.5423(3) 0.61611(18) 0.25207(11) 0.0373(10) Uani 1 1 d . . .
C11A C 0.4223(14) 0.7254(5) 0.4127(3) 0.053(5) Uani 0.589(4) 1 d PD A 1
H11A H 0.4292 0.6872 0.4148 0.064 Uiso 0.589(4) 1 calc PR A 1
C12A C 0.3982(3) 0.75745(19) 0.43998(12) 0.0421(11) Uani 1 1 d D . .
C13A C 0.3768(3) 0.7422(2) 0.47414(12) 0.0474(12) Uani 1 1 d . A .
C14A C 0.3478(3) 0.7300(2) 0.50098(12) 0.0427(11) Uani 1 1 d . . .
C15A C 0.7114(3) 0.5980(2) 0.23347(14) 0.0516(12) Uani 1 1 d . . .
C16A C 0.7047(3) 0.5540(2) 0.25797(13) 0.0476(12) Uani 1 1 d . A .
C17A C 0.6977(3) 0.5029(2) 0.23883(13) 0.0475(12) Uani 1 1 d . . .
C18A C 0.6967(3) 0.5153(2) 0.20229(12) 0.0428(11) Uani 1 1 d . A .
C19A C 0.7056(3) 0.5741(2) 0.19923(14) 0.0501(12) Uani 1 1 d . A .
C20A C 0.7285(4) 0.6571(3) 0.24268(19) 0.084(2) Uani 1 1 d . A .
H20A H 0.7201 0.6794 0.2216 0.126 Uiso 1 1 calc R . .
H20B H 0.7837 0.6608 0.2531 0.126 Uiso 1 1 calc R . .
H20C H 0.6930 0.6694 0.2592 0.126 Uiso 1 1 calc R . .
C21A C 0.7128(4) 0.5604(3) 0.29745(15) 0.081(2) Uani 1 1 d . . .
H21A H 0.6959 0.5267 0.3079 0.122 Uiso 1 1 calc R A .
H21B H 0.6793 0.5906 0.3035 0.122 Uiso 1 1 calc R . .
H21C H 0.7682 0.5680 0.3062 0.122 Uiso 1 1 calc R . .
C22A C 0.7007(4) 0.4458(3) 0.25522(18) 0.0730(17) Uani 1 1 d . A .
H22A H 0.6692 0.4205 0.2397 0.110 Uiso 1 1 calc R . .
H22B H 0.6790 0.4473 0.2775 0.110 Uiso 1 1 calc R . .
H22C H 0.7558 0.4332 0.2590 0.110 Uiso 1 1 calc R . .
C23A C 0.7033(4) 0.4746(3) 0.17274(16) 0.0705(17) Uani 1 1 d . . .
H23A H 0.7580 0.4738 0.1671 0.106 Uiso 1 1 calc R A .
H23B H 0.6677 0.4857 0.1522 0.106 Uiso 1 1 calc R . .
H23C H 0.6883 0.4382 0.1801 0.106 Uiso 1 1 calc R . .
C24A C 0.7168(3) 0.6041(3) 0.16545(16) 0.0715(17) Uani 1 1 d . . .
H24A H 0.7726 0.6024 0.1615 0.107 Uiso 1 1 calc R A .
H24B H 0.7009 0.6423 0.1673 0.107 Uiso 1 1 calc R . .
H24C H 0.6839 0.5868 0.1460 0.107 Uiso 1 1 calc R . .
C25A C 0.5048(3) 0.5540(2) 0.13311(13) 0.0509(12) Uani 1 1 d . A .
C26A C 0.4877(4) 0.4987(3) 0.12501(16) 0.0745(17) Uani 1 1 d . . .
H26A H 0.4691 0.4758 0.1420 0.089 Uiso 1 1 calc R . .
C27A C 0.4981(5) 0.4769(4) 0.0919(2) 0.100(3) Uani 1 1 d . . .
H27A H 0.4849 0.4400 0.0866 0.121 Uiso 1 1 calc R . .
C28A C 0.5283(5) 0.5109(5) 0.0669(2) 0.106(3) Uani 1 1 d . . .
H28A H 0.5373 0.4962 0.0451 0.127 Uiso 1 1 calc R . .
C29A C 0.5448(4) 0.5650(4) 0.07396(17) 0.088(2) Uani 1 1 d . . .
H29A H 0.5638 0.5877 0.0569 0.106 Uiso 1 1 calc R . .
C30A C 0.5334(3) 0.5866(3) 0.10675(15) 0.0670(16) Uani 1 1 d . . .
H30A H 0.5451 0.6239 0.1114 0.080 Uiso 1 1 calc R . .
C31A C 0.4780(3) 0.6560(2) 0.16668(13) 0.0515(13) Uani 1 1 d . A .
C32A C 0.5274(4) 0.6956(2) 0.18332(16) 0.0689(16) Uani 1 1 d . . .
H32A H 0.5692 0.6853 0.2006 0.083 Uiso 1 1 calc R . .
C33A C 0.5155(6) 0.7511(3) 0.1745(2) 0.103(3) Uani 1 1 d . . .
H33A H 0.5498 0.7779 0.1856 0.124 Uiso 1 1 calc R . .
C34A C 0.4547(7) 0.7665(4) 0.1501(3) 0.122(4) Uani 1 1 d . . .
H34A H 0.4464 0.8040 0.1451 0.146 Uiso 1 1 calc R . .
C35A C 0.4040(5) 0.7272(4) 0.1323(2) 0.100(3) Uani 1 1 d . . .
H35A H 0.3630 0.7382 0.1149 0.121 Uiso 1 1 calc R . .
C36A C 0.4153(4) 0.6721(3) 0.14065(16) 0.0732(18) Uani 1 1 d . . .
H36A H 0.3815 0.6453 0.1291 0.088 Uiso 1 1 calc R . .
C37A C 0.3922(3) 0.5567(2) 0.18533(13) 0.0497(12) Uani 1 1 d . A .
H37A H 0.3528 0.5859 0.1794 0.060 Uiso 1 1 calc R . .
H37B H 0.3770 0.5250 0.1702 0.060 Uiso 1 1 calc R . .
C38A C 0.3916(3) 0.53977(19) 0.22427(11) 0.0397(10) Uani 1 1 d . A .
H38A H 0.3465 0.5150 0.2265 0.048 Uiso 1 1 calc R . .
H38B H 0.3855 0.5725 0.2386 0.048 Uiso 1 1 calc R . .
C39A C 0.4701(3) 0.43371(19) 0.22180(12) 0.0434(11) Uani 1 1 d . A .
C40A C 0.5205(3) 0.4116(2) 0.19974(15) 0.0593(14) Uani 1 1 d . . .
H40A H 0.5637 0.4325 0.1935 0.071 Uiso 1 1 calc R . .
C41A C 0.5081(4) 0.3576(3) 0.18636(19) 0.082(2) Uani 1 1 d . . .
H41A H 0.5432 0.3427 0.1715 0.099 Uiso 1 1 calc R . .
C42A C 0.4441(4) 0.3269(3) 0.19516(18) 0.0779(19) Uani 1 1 d . . .
H42A H 0.4357 0.2910 0.1865 0.093 Uiso 1 1 calc R . .
C43A C 0.3933(4) 0.3490(3) 0.21651(18) 0.0793(19) Uani 1 1 d . . .
H43A H 0.3497 0.3281 0.2223 0.095 Uiso 1 1 calc R . .
C44A C 0.4049(4) 0.4022(2) 0.22992(15) 0.0628(15) Uani 1 1 d . . .
H44A H 0.3689 0.4168 0.2444 0.075 Uiso 1 1 calc R . .
C45A C 0.4838(3) 0.49207(18) 0.28669(11) 0.0380(10) Uani 1 1 d . A .
C46A C 0.4595(3) 0.5337(2) 0.30857(12) 0.0434(11) Uani 1 1 d . . .
H46A H 0.4432 0.5680 0.2989 0.052 Uiso 1 1 calc R . .
C47A C 0.4593(3) 0.5249(2) 0.34433(13) 0.0521(12) Uani 1 1 d . . .
H47A H 0.4429 0.5532 0.3585 0.062 Uiso 1 1 calc R . .
C48A C 0.4828(4) 0.4751(2) 0.35925(13) 0.0600(14) Uani 1 1 d . . .
H48A H 0.4816 0.4692 0.3833 0.072 Uiso 1 1 calc R . .
C49A C 0.5084(4) 0.4336(2) 0.33838(14) 0.0686(17) Uani 1 1 d . . .
H49A H 0.5255 0.3997 0.3484 0.082 Uiso 1 1 calc R . .
C50A C 0.5086(4) 0.4425(2) 0.30207(14) 0.0602(14) Uani 1 1 d . . .
H50A H 0.5259 0.4142 0.2881 0.072 Uiso 1 1 calc R . .
C51A C 0.1540(4) 0.7091(3) 0.5572(2) 0.082(2) Uani 1 1 d . . .
C52A C 0.1871(4) 0.7621(3) 0.56513(16) 0.0717(18) Uani 1 1 d . A .
C53A C 0.2029(3) 0.7888(2) 0.53374(17) 0.0629(15) Uani 1 1 d . . .
C54A C 0.1768(3) 0.7531(3) 0.50509(14) 0.0595(15) Uani 1 1 d . A .
C55A C 0.1472(3) 0.7036(3) 0.5190(2) 0.0714(18) Uani 1 1 d . A .
C56A C 0.1189(5) 0.6700(4) 0.5821(3) 0.141(4) Uani 1 1 d . A .
H56A H 0.1361 0.6327 0.5779 0.211 Uiso 1 1 calc R . .
H56B H 0.0609 0.6719 0.5783 0.211 Uiso 1 1 calc R . .
H56C H 0.1373 0.6803 0.6061 0.211 Uiso 1 1 calc R . .
C57A C 0.1952(6) 0.7895(4) 0.60141(19) 0.136(4) Uani 1 1 d . . .
H57A H 0.1461 0.8091 0.6044 0.204 Uiso 1 1 calc R A .
H57B H 0.2396 0.8152 0.6033 0.204 Uiso 1 1 calc R . .
H57C H 0.2049 0.7616 0.6194 0.204 Uiso 1 1 calc R . .
C58A C 0.2344(5) 0.8467(3) 0.5309(3) 0.115(3) Uani 1 1 d . A .
H58A H 0.2683 0.8483 0.5121 0.172 Uiso 1 1 calc R . .
H58B H 0.2653 0.8570 0.5528 0.172 Uiso 1 1 calc R . .
H58C H 0.1898 0.8719 0.5258 0.172 Uiso 1 1 calc R . .
C59A C 0.1716(5) 0.7669(4) 0.46702(17) 0.109(3) Uani 1 1 d . . .
H59A H 0.1191 0.7818 0.4592 0.163 Uiso 1 1 calc R A .
H59B H 0.1801 0.7338 0.4538 0.163 Uiso 1 1 calc R . .
H59C H 0.2124 0.7938 0.4633 0.163 Uiso 1 1 calc R . .
C60A C 0.1062(4) 0.6577(4) 0.4975(3) 0.133(4) Uani 1 1 d . . .
H60A H 0.0539 0.6700 0.4870 0.199 Uiso 1 1 calc R A .
H60B H 0.1000 0.6263 0.5125 0.199 Uiso 1 1 calc R . .
H60C H 0.1384 0.6473 0.4792 0.199 Uiso 1 1 calc R . .
C61A C 0.3345(3) 0.5872(2) 0.49621(12) 0.0471(11) Uani 1 1 d . A .
C62A C 0.3063(3) 0.6113(2) 0.46381(13) 0.0552(13) Uani 1 1 d . . .
H62A H 0.2854 0.6471 0.4630 0.066 Uiso 1 1 calc R . .
C63A C 0.3095(4) 0.5819(3) 0.43267(15) 0.0771(18) Uani 1 1 d . . .
H63A H 0.2904 0.5981 0.4111 0.093 Uiso 1 1 calc R . .
C64A C 0.3402(4) 0.5293(3) 0.43337(17) 0.0782(19) Uani 1 1 d . . .
H64A H 0.3417 0.5100 0.4123 0.094 Uiso 1 1 calc R . .
C65A C 0.3688(4) 0.5047(3) 0.46473(17) 0.0717(17) Uani 1 1 d . . .
H65A H 0.3895 0.4687 0.4651 0.086 Uiso 1 1 calc R . .
C66A C 0.3666(4) 0.5342(2) 0.49621(15) 0.0606(14) Uani 1 1 d . . .
H66A H 0.3871 0.5179 0.5176 0.073 Uiso 1 1 calc R . .
C67A C 0.2726(4) 0.5705(2) 0.56000(15) 0.0586(14) Uani 1 1 d . A .
C68A C 0.2135(4) 0.5387(3) 0.5410(2) 0.085(2) Uani 1 1 d . . .
H68A H 0.2060 0.5416 0.5164 0.102 Uiso 1 1 calc R . .
C69A C 0.1650(6) 0.5024(3) 0.5575(3) 0.131(4) Uani 1 1 d . . .
H69A H 0.1250 0.4815 0.5445 0.157 Uiso 1 1 calc R . .
C70A C 0.1779(9) 0.4982(4) 0.5941(4) 0.165(7) Uani 1 1 d . . .
H70A H 0.1460 0.4743 0.6057 0.198 Uiso 1 1 calc R . .
C71A C 0.2351(8) 0.5279(5) 0.6125(3) 0.132(4) Uani 1 1 d . . .
H71A H 0.2429 0.5242 0.6370 0.158 Uiso 1 1 calc R . .
C72A C 0.2832(5) 0.5639(3) 0.59659(18) 0.084(2) Uani 1 1 d . . .
H72A H 0.3230 0.5841 0.6103 0.101 Uiso 1 1 calc R . .
C73A C 0.4324(3) 0.6202(2) 0.56032(14) 0.0526(13) Uani 1 1 d . A .
H73A H 0.4323 0.6022 0.5831 0.063 Uiso 1 1 calc R . .
H73B H 0.4648 0.5977 0.5461 0.063 Uiso 1 1 calc R . .
C74A C 0.4704(3) 0.6779(2) 0.56563(13) 0.0499(12) Uani 1 1 d . A .
H74A H 0.4898 0.6904 0.5439 0.060 Uiso 1 1 calc R . .
H74B H 0.5158 0.6767 0.5841 0.060 Uiso 1 1 calc R . .
C75A C 0.4389(3) 0.7947(2) 0.58027(13) 0.0508(12) Uani 1 1 d . A .
C76A C 0.4790(4) 0.8133(3) 0.55293(16) 0.0693(16) Uani 1 1 d . . .
H76A H 0.4820 0.7906 0.5333 0.083 Uiso 1 1 calc R . .
C77A C 0.5150(5) 0.8652(3) 0.5540(2) 0.088(2) Uani 1 1 d . . .
H77A H 0.5417 0.8772 0.5352 0.105 Uiso 1 1 calc R . .
C78A C 0.5113(5) 0.8988(3) 0.5828(2) 0.084(2) Uani 1 1 d . . .
H78A H 0.5376 0.9330 0.5841 0.101 Uiso 1 1 calc R . .
C79A C 0.4695(5) 0.8823(3) 0.60921(18) 0.084(2) Uani 1 1 d . . .
H79A H 0.4649 0.9061 0.6281 0.101 Uiso 1 1 calc R . .
C80A C 0.4337(4) 0.8310(2) 0.60855(15) 0.0706(17) Uani 1 1 d . . .
H80A H 0.4057 0.8201 0.6272 0.085 Uiso 1 1 calc R . .
C81A C 0.3949(2) 0.71053(16) 0.62595(7) 0.0576(14) Uani 1 1 d G A .
C82A C 0.4652(2) 0.71958(17) 0.64885(10) 0.0756(19) Uani 1 1 d G . .
C83A C 0.4655(3) 0.71049(19) 0.68496(9) 0.100(3) Uani 1 1 d G . .
H83A H 0.5125 0.7166 0.7003 0.120 Uiso 1 1 calc R . .
C84A C 0.3956(4) 0.6924(2) 0.69816(7) 0.109(3) Uani 1 1 d G . .
H84A H 0.3959 0.6863 0.7223 0.131 Uiso 1 1 calc R . .
C85A C 0.3254(3) 0.6833(2) 0.67525(12) 0.109(3) Uani 1 1 d G . .
H85A H 0.2786 0.6712 0.6841 0.131 Uiso 1 1 calc R . .
C86A C 0.3250(2) 0.69238(18) 0.63914(10) 0.0758(18) Uani 1 1 d G . .
H86A H 0.2780 0.6863 0.6238 0.091 Uiso 1 1 calc R . .
Ru1B Ru 0.43760(2) 0.060294(17) 0.216068(9) 0.04049(10) Uani 1 1 d . B .
Ru2B Ru 0.19260(2) 0.223002(15) 0.532374(9) 0.03620(9) Uani 1 1 d . B .
C1B C 0.27694(18) 0.00949(10) 0.37155(7) 0.0414(10) Uani 1 1 d GD . .
C2B C 0.2611(2) -0.04475(12) 0.36017(6) 0.0465(11) Uani 1 1 d GD B .
C3B C 0.2251(3) -0.08190(9) 0.38154(9) 0.0728(18) Uani 1 1 d G B .
H3B H 0.2145 -0.1182 0.3739 0.087 Uiso 1 1 calc R . .
C4B C 0.2050(3) -0.06480(12) 0.41428(8) 0.081(2) Uani 1 1 d G B .
H4B H 0.1809 -0.0897 0.4286 0.097 Uiso 1 1 calc R . .
C5B C 0.2208(2) -0.01056(13) 0.42567(7) 0.0603(14) Uani 1 1 d GD B .
C6B C 0.2568(2) 0.02658(10) 0.40430(8) 0.0460(11) Uani 1 1 d GD B .
C7B C 0.2862(11) -0.0472(4) 0.3252(3) 0.0557(10) Uani 0.556(4) 1 d PD B 1
H7B H 0.2795 -0.0790 0.3112 0.067 Uiso 0.556(4) 1 calc PR B 1
C8B C 0.3209(3) 0.00065(18) 0.31363(11) 0.0437(11) Uani 1 1 d D . .
C9B C 0.3524(3) 0.0138(2) 0.28109(13) 0.0502(12) Uani 1 1 d . B .
C10B C 0.3805(3) 0.0303(2) 0.25531(12) 0.0454(11) Uani 1 1 d . . .
C11B C 0.2592(3) 0.0786(4) 0.4230(2) 0.0583(11) Uani 0.556(4) 1 d PD B 1
H11B H 0.2802 0.1105 0.4137 0.070 Uiso 0.556(4) 1 calc PR B 1
C12B C 0.2292(3) 0.07934(19) 0.45501(12) 0.0514(12) Uani 1 1 d D . .
C13B C 0.2241(3) 0.1242(2) 0.47950(13) 0.0538(13) Uani 1 1 d . B .
C14B C 0.2174(3) 0.1617(2) 0.50019(12) 0.0452(11) Uani 1 1 d . . .
C15B C 0.5566(3) 0.0270(3) 0.24124(15) 0.0628(16) Uani 1 1 d . . .
C16B C 0.5478(3) 0.0833(3) 0.25257(14) 0.0644(16) Uani 1 1 d . B .
C17B C 0.5461(3) 0.1176(3) 0.22202(16) 0.0611(15) Uani 1 1 d . . .
C18B C 0.5521(3) 0.0831(3) 0.19219(14) 0.0603(15) Uani 1 1 d . B .
C19B C 0.5583(3) 0.0263(3) 0.20393(14) 0.0616(15) Uani 1 1 d . B .
C20B C 0.5696(4) -0.0221(3) 0.26612(18) 0.098(3) Uani 1 1 d . B .
H20D H 0.5300 -0.0214 0.2825 0.147 Uiso 1 1 calc R . .
H20E H 0.6229 -0.0201 0.2789 0.147 Uiso 1 1 calc R . .
H20F H 0.5643 -0.0560 0.2527 0.147 Uiso 1 1 calc R . .
C21B C 0.5546(4) 0.1007(4) 0.29046(18) 0.108(3) Uani 1 1 d . . .
H21D H 0.6042 0.0866 0.3027 0.163 Uiso 1 1 calc R B .
H21E H 0.5096 0.0860 0.3012 0.163 Uiso 1 1 calc R . .
H21F H 0.5543 0.1405 0.2919 0.163 Uiso 1 1 calc R . .
C22B C 0.5458(4) 0.1808(3) 0.2212(2) 0.103(3) Uani 1 1 d . B .
H22D H 0.5970 0.1939 0.2152 0.155 Uiso 1 1 calc R . .
H22E H 0.5368 0.1948 0.2440 0.155 Uiso 1 1 calc R . .
H22F H 0.5033 0.1935 0.2037 0.155 Uiso 1 1 calc R . .
C23B C 0.5674(4) 0.1016(4) 0.15610(18) 0.096(3) Uani 1 1 d . . .
H23D H 0.5369 0.1348 0.1498 0.145 Uiso 1 1 calc R B .
H23E H 0.5510 0.0729 0.1393 0.145 Uiso 1 1 calc R . .
H23F H 0.6241 0.1091 0.1560 0.145 Uiso 1 1 calc R . .
C24B C 0.5759(4) -0.0235(3) 0.18283(19) 0.087(2) Uani 1 1 d . . .
H24D H 0.6333 -0.0269 0.1825 0.130 Uiso 1 1 calc R B .
H24E H 0.5499 -0.0196 0.1590 0.130 Uiso 1 1 calc R . .
H24F H 0.5557 -0.0562 0.1933 0.130 Uiso 1 1 calc R . .
C25B C 0.3817(3) -0.0126(2) 0.13463(13) 0.0551(13) Uani 1 1 d . B .
C26B C 0.3957(4) 0.0277(3) 0.11040(16) 0.0754(18) Uani 1 1 d . . .
H26B H 0.3894 0.0649 0.1161 0.090 Uiso 1 1 calc R . .
C27B C 0.4193(5) 0.0138(4) 0.07756(18) 0.099(2) Uani 1 1 d . . .
H27B H 0.4276 0.0416 0.0614 0.118 Uiso 1 1 calc R . .
C28B C 0.4300(5) -0.0400(4) 0.0694(2) 0.108(3) Uani 1 1 d . . .
H28B H 0.4475 -0.0491 0.0478 0.130 Uiso 1 1 calc R . .
C29B C 0.4155(5) -0.0805(4) 0.0922(2) 0.104(3) Uani 1 1 d . . .
H29B H 0.4212 -0.1175 0.0859 0.125 Uiso 1 1 calc R . .
C30B C 0.3919(4) -0.0675(3) 0.12545(17) 0.0765(18) Uani 1 1 d . . .
H30B H 0.3831 -0.0958 0.1412 0.092 Uiso 1 1 calc R . .
C31B C 0.3153(4) -0.0579(2) 0.19391(14) 0.0567(13) Uani 1 1 d . B .
C32B C 0.2394(4) -0.0787(3) 0.18417(18) 0.0769(18) Uani 1 1 d . . .
H32B H 0.2034 -0.0583 0.1686 0.092 Uiso 1 1 calc R . .
C33B C 0.2142(5) -0.1292(3) 0.1968(2) 0.096(2) Uani 1 1 d . . .
H33B H 0.1622 -0.1425 0.1899 0.115 Uiso 1 1 calc R . .
C34B C 0.2668(7) -0.1586(3) 0.2193(2) 0.101(3) Uani 1 1 d . . .
H34B H 0.2503 -0.1922 0.2283 0.121 Uiso 1 1 calc R . .
C35B C 0.3431(7) -0.1402(3) 0.2289(2) 0.108(3) Uani 1 1 d . . .
H35B H 0.3794 -0.1616 0.2437 0.130 Uiso 1 1 calc R . .
C36B C 0.3670(5) -0.0892(3) 0.21672(18) 0.085(2) Uani 1 1 d . . .
H36B H 0.4189 -0.0760 0.2241 0.102 Uiso 1 1 calc R . .
C37B C 0.2583(3) 0.0475(2) 0.16420(13) 0.0481(12) Uani 1 1 d . B .
H37C H 0.2654 0.0709 0.1440 0.058 Uiso 1 1 calc R . .
H37D H 0.2142 0.0219 0.1573 0.058 Uiso 1 1 calc R . .
C38B C 0.2387(3) 0.0831(2) 0.19498(13) 0.0451(11) Uani 1 1 d . B .
H38C H 0.2213 0.0598 0.2135 0.054 Uiso 1 1 calc R . .
H38D H 0.1956 0.1090 0.1872 0.054 Uiso 1 1 calc R . .
C39B C 0.3262(3) 0.17859(19) 0.17959(12) 0.0420(11) Uani 1 1 d . B .
C40B C 0.3723(3) 0.1751(2) 0.15163(13) 0.0552(13) Uani 1 1 d . . .
H40B H 0.4094 0.1463 0.1510 0.066 Uiso 1 1 calc R . .
C41B C 0.3639(4) 0.2138(2) 0.12478(15) 0.0691(17) Uani 1 1 d . . .
H41B H 0.3948 0.2109 0.1060 0.083 Uiso 1 1 calc R . .
C42B C 0.3097(4) 0.2568(2) 0.12563(15) 0.0672(16) Uani 1 1 d . . .
H42B H 0.3042 0.2830 0.1075 0.081 Uiso 1 1 calc R . .
C43B C 0.2639(3) 0.2614(2) 0.15298(15) 0.0594(14) Uani 1 1 d . . .
H43B H 0.2275 0.2907 0.1535 0.071 Uiso 1 1 calc R . .
C44B C 0.2714(3) 0.2226(2) 0.17992(15) 0.0514(12) Uani 1 1 d . . .
H44B H 0.2397 0.2258 0.1984 0.062 Uiso 1 1 calc R . .
C45B C 0.3017(3) 0.1544(2) 0.25148(12) 0.0426(11) Uani 1 1 d . B .
C46B C 0.2206(3) 0.1663(2) 0.25564(14) 0.0531(13) Uani 1 1 d . . .
H46B H 0.1801 0.1577 0.2375 0.064 Uiso 1 1 calc R . .
C47B C 0.2003(4) 0.1903(2) 0.28601(16) 0.0633(15) Uani 1 1 d . . .
H47B H 0.1463 0.1978 0.2884 0.076 Uiso 1 1 calc R . .
C48B C 0.2601(4) 0.2034(2) 0.31314(16) 0.0697(17) Uani 1 1 d . . .
H48B H 0.2462 0.2199 0.3337 0.084 Uiso 1 1 calc R . .
C49B C 0.3388(4) 0.1922(3) 0.30990(16) 0.0761(18) Uani 1 1 d . . .
H49B H 0.3790 0.2011 0.3282 0.091 Uiso 1 1 calc R . .
C50B C 0.3592(4) 0.1673(3) 0.27900(15) 0.0651(15) Uani 1 1 d . . .
H50B H 0.4132 0.1592 0.2771 0.078 Uiso 1 1 calc R . .
C51B C 0.0759(3) 0.2208(2) 0.55735(14) 0.0517(13) Uani 1 1 d . . .
C52B C 0.1016(3) 0.2766(2) 0.55665(15) 0.0541(13) Uani 1 1 d . B .
C53B C 0.1034(3) 0.2914(2) 0.52086(16) 0.0568(14) Uani 1 1 d . . .
C54B C 0.0787(3) 0.2459(3) 0.49951(13) 0.0560(14) Uani 1 1 d . B .
C55B C 0.0602(3) 0.2014(2) 0.52256(15) 0.0562(13) Uani 1 1 d . B .
C56B C 0.0573(4) 0.1898(4) 0.59002(19) 0.098(3) Uani 1 1 d . B .
H56D H -0.0002 0.1888 0.5907 0.147 Uiso 1 1 calc R . .
H56E H 0.0827 0.2083 0.6108 0.147 Uiso 1 1 calc R . .
H56F H 0.0777 0.1525 0.5894 0.147 Uiso 1 1 calc R . .
C57B C 0.1099(4) 0.3163(3) 0.5879(2) 0.107(3) Uani 1 1 d . . .
H57D H 0.1386 0.3489 0.5820 0.160 Uiso 1 1 calc R B .
H57E H 0.1393 0.2984 0.6080 0.160 Uiso 1 1 calc R . .
H57F H 0.0571 0.3266 0.5934 0.160 Uiso 1 1 calc R . .
C58B C 0.1185(4) 0.3493(3) 0.5074(3) 0.108(3) Uani 1 1 d . B .
H58D H 0.1289 0.3473 0.4832 0.161 Uiso 1 1 calc R . .
H58E H 0.1644 0.3653 0.5215 0.161 Uiso 1 1 calc R . .
H58F H 0.0716 0.3720 0.5091 0.161 Uiso 1 1 calc R . .
C59B C 0.0663(4) 0.2418(4) 0.45960(16) 0.112(3) Uani 1 1 d . . .
H59D H 0.0099 0.2359 0.4518 0.168 Uiso 1 1 calc R B .
H59E H 0.0972 0.2112 0.4521 0.168 Uiso 1 1 calc R . .
H59F H 0.0838 0.2757 0.4495 0.168 Uiso 1 1 calc R . .
C60B C 0.0251(4) 0.1458(3) 0.5106(2) 0.096(3) Uani 1 1 d . . .
H60D H 0.0302 0.1205 0.5303 0.145 Uiso 1 1 calc R B .
H60E H 0.0537 0.1313 0.4922 0.145 Uiso 1 1 calc R . .
H60F H -0.0311 0.1502 0.5019 0.145 Uiso 1 1 calc R . .
C61B C 0.3063(3) 0.2794(2) 0.46789(13) 0.0473(12) Uani 1 1 d . B .
C62B C 0.3211(4) 0.2382(3) 0.44421(14) 0.0630(15) Uani 1 1 d . . .
H62B H 0.3319 0.2022 0.4525 0.076 Uiso 1 1 calc R . .
C63B C 0.3203(4) 0.2492(3) 0.40858(15) 0.081(2) Uani 1 1 d . . .
H63B H 0.3304 0.2208 0.3931 0.097 Uiso 1 1 calc R . .
C64B C 0.3045(4) 0.3017(4) 0.39622(17) 0.083(2) Uani 1 1 d . . .
H64B H 0.3039 0.3092 0.3722 0.100 Uiso 1 1 calc R . .
C65B C 0.2897(4) 0.3432(3) 0.41877(17) 0.0760(18) Uani 1 1 d . . .
H65B H 0.2792 0.3790 0.4101 0.091 Uiso 1 1 calc R . .
C66B C 0.2902(3) 0.3325(3) 0.45455(16) 0.0673(16) Uani 1 1 d . . .
H66B H 0.2796 0.3611 0.4698 0.081 Uiso 1 1 calc R . .
C67B C 0.3470(3) 0.3278(2) 0.53556(13) 0.0496(12) Uani 1 1 d . B .
C68B C 0.4177(3) 0.3516(2) 0.52543(16) 0.0654(15) Uani 1 1 d . . .
H68B H 0.4415 0.3363 0.5067 0.078 Uiso 1 1 calc R . .
C69B C 0.4518(4) 0.3970(3) 0.54270(19) 0.0799(19) Uani 1 1 d . . .
H69B H 0.4991 0.4121 0.5359 0.096 Uiso 1 1 calc R . .
C70B C 0.4171(5) 0.4204(3) 0.5698(2) 0.089(2) Uani 1 1 d . . .
H70B H 0.4404 0.4518 0.5811 0.107 Uiso 1 1 calc R . .
C71B C 0.3483(5) 0.3982(3) 0.5806(2) 0.090(2) Uani 1 1 d . . .
H71B H 0.3251 0.4141 0.5992 0.108 Uiso 1 1 calc R . .
C72B C 0.3133(4) 0.3514(2) 0.56323(16) 0.0668(16) Uani 1 1 d . . .
H72B H 0.2667 0.3361 0.5705 0.080 Uiso 1 1 calc R . .
C73B C 0.3899(3) 0.2162(2) 0.52656(12) 0.0456(11) Uani 1 1 d . B .
H73C H 0.3837 0.1828 0.5122 0.055 Uiso 1 1 calc R . .
H73D H 0.4405 0.2341 0.5228 0.055 Uiso 1 1 calc R . .
C74B C 0.3891(3) 0.2020(2) 0.56552(13) 0.0490(12) Uani 1 1 d . B .
H74C H 0.4079 0.2337 0.5800 0.059 Uiso 1 1 calc R . .
H74D H 0.4254 0.1711 0.5718 0.059 Uiso 1 1 calc R . .
C75B C 0.2925(3) 0.1070(2) 0.57939(13) 0.0480(12) Uani 1 1 d . B .
C76B C 0.2353(3) 0.0715(2) 0.56331(15) 0.0589(14) Uani 1 1 d . . .
H76B H 0.1900 0.0858 0.5496 0.071 Uiso 1 1 calc R . .
C77B C 0.2443(4) 0.0140(3) 0.56732(18) 0.0768(18) Uani 1 1 d . . .
H77B H 0.2055 -0.0096 0.5558 0.092 Uiso 1 1 calc R . .
C78B C 0.3083(5) -0.0073(3) 0.5876(2) 0.083(2) Uani 1 1 d . . .
H78B H 0.3137 -0.0457 0.5900 0.099 Uiso 1 1 calc R . .
C79B C 0.3657(4) 0.0273(3) 0.6048(2) 0.084(2) Uani 1 1 d . . .
H79B H 0.4098 0.0124 0.6190 0.101 Uiso 1 1 calc R . .
C80B C 0.3578(4) 0.0842(2) 0.60097(17) 0.0686(16) Uani 1 1 d . . .
H80B H 0.3964 0.1075 0.6129 0.082 Uiso 1 1 calc R . .
C81B C 0.2818(3) 0.2031(2) 0.62065(12) 0.0452(11) Uani 1 1 d . B .
C82B C 0.2427(4) 0.1700(2) 0.64262(14) 0.0687(17) Uani 1 1 d . . .
H82B H 0.2211 0.1362 0.6344 0.082 Uiso 1 1 calc R . .
C83B C 0.2351(5) 0.1866(3) 0.67712(16) 0.093(2) Uani 1 1 d . . .
H83B H 0.2085 0.1635 0.6916 0.111 Uiso 1 1 calc R . .
C84B C 0.2657(5) 0.2356(3) 0.69004(17) 0.088(2) Uani 1 1 d . . .
H84B H 0.2602 0.2464 0.7131 0.105 Uiso 1 1 calc R . .
C85B C 0.3048(4) 0.2688(3) 0.66834(17) 0.0760(18) Uani 1 1 d . . .
H85B H 0.3267 0.3025 0.6768 0.091 Uiso 1 1 calc R . .
C86B C 0.3121(4) 0.2530(2) 0.63396(15) 0.0627(15) Uani 1 1 d . . .
H86B H 0.3380 0.2765 0.6195 0.075 Uiso 1 1 calc R . .
P1A P 0.49427(7) 0.58150(5) 0.17719(3) 0.0396(3) Uani 1 1 d . . .
P2A P 0.48717(7) 0.50479(5) 0.23927(3) 0.0357(2) Uani 1 1 d . . .
P3A P 0.32681(7) 0.62410(5) 0.53800(3) 0.0406(3) Uani 1 1 d . . .
P4A P 0.39185(8) 0.72589(5) 0.57822(3) 0.0440(3) Uani 1 1 d . . .
P1B P 0.35218(8) 0.00841(5) 0.17787(3) 0.0436(3) Uani 1 1 d . . .
P2B P 0.33126(7) 0.12104(5) 0.21170(3) 0.0378(3) Uani 1 1 d . . .
P3B P 0.30430(7) 0.26361(5) 0.51487(3) 0.0398(3) Uani 1 1 d . . .
P4B P 0.28463(7) 0.18309(5) 0.57418(3) 0.0391(3) Uani 1 1 d . . .
S1A S 0.4779(3) 0.67152(13) 0.33773(8) 0.0440(8) Uani 0.589(4) 1 d PD A 1
S2A S 0.3915(3) 0.82709(16) 0.42881(9) 0.0479(9) Uani 0.589(4) 1 d PD A 1
S1B S 0.3242(2) 0.05237(10) 0.34476(7) 0.0445(7) Uani 0.556(4) 1 d PD B 1
S2B S 0.1964(3) 0.01339(12) 0.46599(8) 0.0679(10) Uani 0.556(4) 1 d PD B 1
C7C C 0.4750(16) 0.6896(5) 0.3292(4) 0.065(8) Uani 0.411(4) 1 d PD A 2
H7C H 0.4710 0.6551 0.3399 0.078 Uiso 0.411(4) 1 calc PR A 2
C11C C 0.4011(18) 0.8086(5) 0.4239(4) 0.071(9) Uani 0.411(4) 1 d PD A 2
H11C H 0.3899 0.8410 0.4358 0.085 Uiso 0.411(4) 1 calc PR A 2
S1C S 0.4937(7) 0.7613(2) 0.28129(17) 0.0570(14) Uani 0.411(4) 1 d PD A 2
S2C S 0.4232(6) 0.7047(2) 0.41178(14) 0.0476(13) Uani 0.411(4) 1 d PD A 2
C7D C 0.3143(11) 0.0342(5) 0.3427(3) 0.0445(7) Uani 0.444(4) 1 d PD B 2
H7D H 0.3327 0.0707 0.3436 0.053 Uiso 0.444(4) 1 calc PR B 2
C11D C 0.2043(14) 0.0247(5) 0.4549(4) 0.0679(10) Uani 0.444(4) 1 d PD B 2
H11D H 0.1776 0.0107 0.4732 0.081 Uiso 0.444(4) 1 calc PR B 2
S1D S 0.2844(3) -0.06342(14) 0.31865(10) 0.0557(10) Uani 0.444(4) 1 d PD B 2
S2D S 0.27005(18) 0.09600(14) 0.41670(9) 0.0583(11) Uani 0.444(4) 1 d PD B 2
C1S C 0.5888(9) 0.0179(7) 0.5237(4) 0.121(6) Uani 0.50 1 d PDU C -1
H1S1 H 0.6148 0.0008 0.5452 0.145 Uiso 0.50 1 calc PR C -1
H1S2 H 0.6221 0.0487 0.5176 0.145 Uiso 0.50 1 calc PR C -1
Cl1 Cl 0.5783(7) -0.0285(5) 0.4909(3) 0.238(4) Uani 0.50 1 d PDU C -1
Cl2 Cl 0.4991(11) 0.0402(6) 0.5299(4) 0.330(7) Uani 0.50 1 d PDU C -1


_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
Ru1A C10A 2.002(4) . ?
Ru1A C16A 2.211(4) . ?
Ru1A C15A 2.245(5) . ?
Ru1A C17A 2.263(4) . ?
Ru1A C19A 2.264(5) . ?
Ru1A P2A 2.2685(12) . ?
Ru1A P1A 2.2750(12) . ?
Ru1A C18A 2.278(4) . ?
Ru2A C14A 2.007(5) . ?
Ru2A C53A 2.232(5) . ?
Ru2A C54A 2.250(5) . ?
Ru2A C55A 2.254(5) . ?
Ru2A C52A 2.256(5) . ?
Ru2A P4A 2.2642(13) . ?
Ru2A C51A 2.265(6) . ?
Ru2A P3A 2.2667(13) . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C1A C7C 1.444(9) . ?
C1A S1A 1.726(3) . ?
C2A C3A 1.3900 . ?
C2A C7A 1.440(9) . ?
C2A S1C 1.744(5) . ?
C3A C4A 1.3900 . ?
C3A H3A 0.9300 . ?
C4A C5A 1.3900 . ?
C4A H4A 0.9300 . ?
C5A C6A 1.3900 . ?
C5A C11C 1.447(10) . ?
C5A S2A 1.734(4) . ?
C6A C11A 1.445(9) . ?
C6A S2C 1.718(5) . ?
C7A C8A 1.383(9) . ?
C7A H7A 0.9300 . ?
C8A C7C 1.378(10) . ?
C8A C9A 1.438(6) . ?
C8A S1C 1.723(6) . ?
C8A S1A 1.753(5) . ?
C9A C10A 1.215(6) . ?
C11A C12A 1.389(9) . ?
C11A H11A 0.9300 . ?
C12A C11C 1.378(10) . ?
C12A C13A 1.435(6) . ?
C12A S2A 1.728(5) . ?
C12A S2C 1.744(6) . ?
C13A C14A 1.215(6) . ?
C15A C19A 1.416(7) . ?
C15A C16A 1.424(7) . ?
C15A C20A 1.484(8) . ?
C16A C17A 1.425(7) . ?
C16A C21A 1.500(7) . ?
C17A C18A 1.420(7) . ?
C17A C22A 1.507(7) . ?
C18A C19A 1.428(7) . ?
C18A C23A 1.505(7) . ?
C19A C24A 1.504(7) . ?
C20A H20A 0.9600 . ?
C20A H20B 0.9600 . ?
C20A H20C 0.9600 . ?
C21A H21A 0.9600 . ?
C21A H21B 0.9600 . ?
C21A H21C 0.9600 . ?
C22A H22A 0.9600 . ?
C22A H22B 0.9600 . ?
C22A H22C 0.9600 . ?
C23A H23A 0.9600 . ?
C23A H23B 0.9600 . ?
C23A H23C 0.9600 . ?
C24A H24A 0.9600 . ?
C24A H24B 0.9600 . ?
C24A H24C 0.9600 . ?
C25A C26A 1.387(8) . ?
C25A C30A 1.399(8) . ?
C25A P1A 1.829(5) . ?
C26A C27A 1.395(9) . ?
C26A H26A 0.9300 . ?
C27A C28A 1.393(12) . ?
C27A H27A 0.9300 . ?
C28A C29A 1.350(11) . ?
C28A H28A 0.9300 . ?
C29A C30A 1.384(9) . ?
C29A H29A 0.9300 . ?
C30A H30A 0.9300 . ?
C31A C32A 1.364(8) . ?
C31A C36A 1.404(8) . ?
C31A P1A 1.849(5) . ?
C32A C33A 1.386(9) . ?
C32A H32A 0.9300 . ?
C33A C34A 1.341(13) . ?
C33A H33A 0.9300 . ?
C34A C35A 1.389(13) . ?
C34A H34A 0.9300 . ?
C35A C36A 1.372(10) . ?
C35A H35A 0.9300 . ?
C36A H36A 0.9300 . ?
C37A C38A 1.537(6) . ?
C37A P1A 1.859(5) . ?
C37A H37A 0.9700 . ?
C37A H37B 0.9700 . ?
C38A P2A 1.829(4) . ?
C38A H38A 0.9700 . ?
C38A H38B 0.9700 . ?
C39A C40A 1.363(7) . ?
C39A C44A 1.388(7) . ?
C39A P2A 1.844(5) . ?
C40A C41A 1.401(8) . ?
C40A H40A 0.9300 . ?
C41A C42A 1.370(9) . ?
C41A H41A 0.9300 . ?
C42A C43A 1.348(9) . ?
C42A H42A 0.9300 . ?
C43A C44A 1.382(8) . ?
C43A H43A 0.9300 . ?
C44A H44A 0.9300 . ?
C45A C50A 1.370(7) . ?
C45A C46A 1.393(6) . ?
C45A P2A 1.837(4) . ?
C46A C47A 1.377(7) . ?
C46A H46A 0.9300 . ?
C47A C48A 1.363(7) . ?
C47A H47A 0.9300 . ?
C48A C49A 1.373(8) . ?
C48A H48A 0.9300 . ?
C49A C50A 1.398(7) . ?
C49A H49A 0.9300 . ?
C50A H50A 0.9300 . ?
C51A C52A 1.406(10) . ?
C51A C55A 1.454(10) . ?
C51A C56A 1.500(9) . ?
C52A C53A 1.408(9) . ?
C52A C57A 1.522(9) . ?
C53A C54A 1.414(8) . ?
C53A C58A 1.496(9) . ?
C54A C55A 1.415(9) . ?
C54A C59A 1.478(8) . ?
C55A C60A 1.489(9) . ?
C56A H56A 0.9600 . ?
C56A H56B 0.9600 . ?
C56A H56C 0.9600 . ?
C57A H57A 0.9600 . ?
C57A H57B 0.9600 . ?
C57A H57C 0.9600 . ?
C58A H58A 0.9600 . ?
C58A H58B 0.9600 . ?
C58A H58C 0.9600 . ?
C59A H59A 0.9600 . ?
C59A H59B 0.9600 . ?
C59A H59C 0.9600 . ?
C60A H60A 0.9600 . ?
C60A H60B 0.9600 . ?
C60A H60C 0.9600 . ?
C61A C66A 1.383(7) . ?
C61A C62A 1.391(7) . ?
C61A P3A 1.838(5) . ?
C62A C63A 1.386(7) . ?
C62A H62A 0.9300 . ?
C63A C64A 1.362(9) . ?
C63A H63A 0.9300 . ?
C64A C65A 1.366(9) . ?
C64A H64A 0.9300 . ?
C65A C66A 1.396(8) . ?
C65A H65A 0.9300 . ?
C66A H66A 0.9300 . ?
C67A C68A 1.381(9) . ?
C67A C72A 1.391(8) . ?
C67A P3A 1.831(6) . ?
C68A C69A 1.390(10) . ?
C68A H68A 0.9300 . ?
C69A C70A 1.384(17) . ?
C69A H69A 0.9300 . ?
C70A C71A 1.324(17) . ?
C70A H70A 0.9300 . ?
C71A C72A 1.367(12) . ?
C71A H71A 0.9300 . ?
C72A H72A 0.9300 . ?
C73A C74A 1.528(7) . ?
C73A P3A 1.860(5) . ?
C73A H73A 0.9700 . ?
C73A H73B 0.9700 . ?
C74A P4A 1.848(5) . ?
C74A H74A 0.9700 . ?
C74A H74B 0.9700 . ?
C75A C76A 1.375(8) . ?
C75A C80A 1.395(7) . ?
C75A P4A 1.829(5) . ?
C76A C77A 1.382(9) . ?
C76A H76A 0.9300 . ?
C77A C78A 1.367(9) . ?
C77A H77A 0.9300 . ?
C78A C79A 1.348(9) . ?
C78A H78A 0.9300 . ?
C79A C80A 1.369(9) . ?
C79A H79A 0.9300 . ?
C80A H80A 0.9300 . ?
C81A C82A 1.3900 . ?
C81A C86A 1.3900 . ?
C81A P4A 1.848(3) . ?
C82A C83A 1.3900 . ?
C83A C84A 1.3900 . ?
C83A H83A 0.9300 . ?
C84A C85A 1.3900 . ?
C84A H84A 0.9300 . ?
C85A C86A 1.3900 . ?
C85A H85A 0.9300 . ?
C86A H86A 0.9300 . ?
Ru1B C10B 1.996(5) . ?
Ru1B C16B 2.235(5) . ?
Ru1B C15B 2.243(5) . ?
Ru1B C17B 2.261(5) . ?
Ru1B C19B 2.265(5) . ?
Ru1B C18B 2.272(5) . ?
Ru1B P1B 2.2804(13) . ?
Ru1B P2B 2.2851(12) . ?
Ru2B C14B 1.990(5) . ?
Ru2B C54B 2.213(5) . ?
Ru2B C53B 2.224(5) . ?
Ru2B C55B 2.250(5) . ?
Ru2B C51B 2.261(5) . ?
Ru2B C52B 2.267(5) . ?
Ru2B P3B 2.2674(13) . ?
Ru2B P4B 2.2843(12) . ?
C1B C2B 1.3900 . ?
C1B C6B 1.3900 . ?
C1B C7D 1.452(9) . ?
C1B S1B 1.706(3) . ?
C2B C3B 1.3900 . ?
C2B C7B 1.443(8) . ?
C2B S1D 1.729(4) . ?
C3B C4B 1.3900 . ?
C3B H3B 0.9300 . ?
C4B C5B 1.3900 . ?
C4B H4B 0.9300 . ?
C5B C6B 1.3900 . ?
C5B C11D 1.450(9) . ?
C5B S2B 1.731(3) . ?
C6B C11B 1.437(8) . ?
C6B S2D 1.742(4) . ?
C7B C8B 1.382(9) . ?
C7B H7B 0.9300 . ?
C8B C7D 1.383(9) . ?
C8B C9B 1.436(6) . ?
C8B S1D 1.676(5) . ?
C8B S1B 1.714(5) . ?
C9B C10B 1.202(7) . ?
C11B C12B 1.370(9) . ?
C11B H11B 0.9300 . ?
C12B C11D 1.379(9) . ?
C12B C13B 1.434(7) . ?
C12B S2D 1.726(5) . ?
C12B S2B 1.744(5) . ?
C13B C14B 1.212(7) . ?
C15B C19B 1.423(7) . ?
C15B C16B 1.435(9) . ?
C15B C20B 1.512(8) . ?
C16B C17B 1.422(8) . ?
C16B C21B 1.492(8) . ?
C17B C18B 1.418(8) . ?
C17B C22B 1.521(9) . ?
C18B C19B 1.437(8) . ?
C18B C23B 1.494(8) . ?
C19B C24B 1.491(9) . ?
C20B H20D 0.9600 . ?
C20B H20E 0.9600 . ?
C20B H20F 0.9600 . ?
C21B H21D 0.9600 . ?
C21B H21E 0.9600 . ?
C21B H21F 0.9600 . ?
C22B H22D 0.9600 . ?
C22B H22E 0.9600 . ?
C22B H22F 0.9600 . ?
C23B H23D 0.9600 . ?
C23B H23E 0.9600 . ?
C23B H23F 0.9600 . ?
C24B H24D 0.9600 . ?
C24B H24E 0.9600 . ?
C24B H24F 0.9600 . ?
C25B C26B 1.377(8) . ?
C25B C30B 1.382(8) . ?
C25B P1B 1.842(5) . ?
C26B C27B 1.393(8) . ?
C26B H26B 0.9300 . ?
C27B C28B 1.347(11) . ?
C27B H27B 0.9300 . ?
C28B C29B 1.348(11) . ?
C28B H28B 0.9300 . ?
C29B C30B 1.402(9) . ?
C29B H29B 0.9300 . ?
C30B H30B 0.9300 . ?
C31B C32B 1.368(9) . ?
C31B C36B 1.373(8) . ?
C31B P1B 1.838(6) . ?
C32B C33B 1.389(9) . ?
C32B H32B 0.9300 . ?
C33B C34B 1.349(12) . ?
C33B H33B 0.9300 . ?
C34B C35B 1.354(12) . ?
C34B H34B 0.9300 . ?
C35B C36B 1.386(11) . ?
C35B H35B 0.9300 . ?
C36B H36B 0.9300 . ?
C37B C38B 1.516(7) . ?
C37B P1B 1.844(5) . ?
C37B H37C 0.9700 . ?
C37B H37D 0.9700 . ?
C38B P2B 1.837(5) . ?
C38B H38C 0.9700 . ?
C38B H38D 0.9700 . ?
C39B C40B 1.385(7) . ?
C39B C44B 1.400(7) . ?
C39B P2B 1.841(5) . ?
C40B C41B 1.377(7) . ?
C40B H40B 0.9300 . ?
C41B C42B 1.375(8) . ?
C41B H41B 0.9300 . ?
C42B C43B 1.365(8) . ?
C42B H42B 0.9300 . ?
C43B C44B 1.380(7) . ?
C43B H43B 0.9300 . ?
C44B H44B 0.9300 . ?
C45B C50B 1.368(7) . ?
C45B C46B 1.405(6) . ?
C45B P2B 1.831(5) . ?
C46B C47B 1.369(7) . ?
C46B H46B 0.9300 . ?
C47B C48B 1.382(9) . ?
C47B H47B 0.9300 . ?
C48B C49B 1.357(9) . ?
C48B H48B 0.9300 . ?
C49B C50B 1.397(8) . ?
C49B H49B 0.9300 . ?
C50B H50B 0.9300 . ?
C51B C55B 1.398(7) . ?
C51B C52B 1.412(7) . ?
C51B C56B 1.512(8) . ?
C52B C53B 1.411(8) . ?
C52B C57B 1.516(8) . ?
C53B C54B 1.396(8) . ?
C53B C58B 1.514(8) . ?
C54B C55B 1.440(8) . ?
C54B C59B 1.511(8) . ?
C55B C60B 1.508(8) . ?
C56B H56D 0.9600 . ?
C56B H56E 0.9600 . ?
C56B H56F 0.9600 . ?
C57B H57D 0.9600 . ?
C57B H57E 0.9600 . ?
C57B H57F 0.9600 . ?
C58B H58D 0.9600 . ?
C58B H58E 0.9600 . ?
C58B H58F 0.9600 . ?
C59B H59D 0.9600 . ?
C59B H59E 0.9600 . ?
C59B H59F 0.9600 . ?
C60B H60D 0.9600 . ?
C60B H60E 0.9600 . ?
C60B H60F 0.9600 . ?
C61B C62B 1.382(7) . ?
C61B C66B 1.388(8) . ?
C61B P3B 1.831(5) . ?
C62B C63B 1.379(8) . ?
C62B H62B 0.9300 . ?
C63B C64B 1.364(10) . ?
C63B H63B 0.9300 . ?
C64B C65B 1.357(10) . ?
C64B H64B 0.9300 . ?
C65B C66B 1.384(8) . ?
C65B H65B 0.9300 . ?
C66B H66B 0.9300 . ?
C67B C72B 1.373(8) . ?
C67B C68B 1.402(7) . ?
C67B P3B 1.837(5) . ?
C68B C69B 1.363(8) . ?
C68B H68B 0.9300 . ?
C69B C70B 1.363(10) . ?
C69B H69B 0.9300 . ?
C70B C71B 1.368(10) . ?
C70B H70B 0.9300 . ?
C71B C72B 1.397(8) . ?
C71B H71B 0.9300 . ?
C72B H72B 0.9300 . ?
C73B C74B 1.523(7) . ?
C73B P3B 1.837(5) . ?
C73B H73C 0.9700 . ?
C73B H73D 0.9700 . ?
C74B P4B 1.863(5) . ?
C74B H74C 0.9700 . ?
C74B H74D 0.9700 . ?
C75B C76B 1.368(7) . ?
C75B C80B 1.394(8) . ?
C75B P4B 1.844(5) . ?
C76B C77B 1.397(8) . ?
C76B H76B 0.9300 . ?
C77B C78B 1.340(10) . ?
C77B H77B 0.9300 . ?
C78B C79B 1.373(10) . ?
C78B H78B 0.9300 . ?
C79B C80B 1.382(8) . ?
C79B H79B 0.9300 . ?
C80B H80B 0.9300 . ?
C81B C82B 1.372(7) . ?
C81B C86B 1.373(7) . ?
C81B P4B 1.839(5) . ?
C82B C83B 1.391(8) . ?
C82B H82B 0.9300 . ?
C83B C84B 1.352(9) . ?
C83B H83B 0.9300 . ?
C84B C85B 1.368(9) . ?
C84B H84B 0.9300 . ?
C85B C86B 1.382(8) . ?
C85B H85B 0.9300 . ?
C86B H86B 0.9300 . ?
C7C H7C 0.9300 . ?
C11C H11C 0.9300 . ?
C7D H7D 0.9300 . ?
C11D H11D 0.9300 . ?
C1S Cl2 1.628(9) . ?
C1S Cl1 1.667(9) . ?
C1S H1S1 0.9700 . ?
C1S H1S2 0.9700 . ?

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
C10A Ru1A C16A 93.49(18) . . ?
C10A Ru1A C15A 90.11(18) . . ?
C16A Ru1A C15A 37.27(19) . . ?
C10A Ru1A C17A 127.52(18) . . ?
C16A Ru1A C17A 37.12(18) . . ?
C15A Ru1A C17A 61.66(19) . . ?
C10A Ru1A C19A 120.42(19) . . ?
C16A Ru1A C19A 61.49(18) . . ?
C15A Ru1A C19A 36.61(18) . . ?
C17A Ru1A C19A 60.93(18) . . ?
C10A Ru1A P2A 83.60(13) . . ?
C16A Ru1A P2A 115.72(14) . . ?
C15A Ru1A P2A 152.00(15) . . ?
C17A Ru1A P2A 101.27(13) . . ?
C19A Ru1A P2A 155.38(14) . . ?
C10A Ru1A P1A 88.27(13) . . ?
C16A Ru1A P1A 161.29(14) . . ?
C15A Ru1A P1A 124.20(15) . . ?
C17A Ru1A P1A 144.14(13) . . ?
C19A Ru1A P1A 101.73(13) . . ?
P2A Ru1A P1A 82.98(4) . . ?
C10A Ru1A C18A 151.29(17) . . ?
C16A Ru1A C18A 61.68(17) . . ?
C15A Ru1A C18A 61.53(18) . . ?
C17A Ru1A C18A 36.44(17) . . ?
C19A Ru1A C18A 36.65(18) . . ?
P2A Ru1A C18A 118.98(13) . . ?
P1A Ru1A C18A 110.63(12) . . ?
C14A Ru2A C53A 96.8(2) . . ?
C14A Ru2A C54A 86.4(2) . . ?
C53A Ru2A C54A 36.8(2) . . ?
C14A Ru2A C55A 112.4(2) . . ?
C53A Ru2A C55A 61.4(2) . . ?
C54A Ru2A C55A 36.6(2) . . ?
C14A Ru2A C52A 132.6(2) . . ?
C53A Ru2A C52A 36.6(2) . . ?
C54A Ru2A C52A 60.8(2) . . ?
C55A Ru2A C52A 60.9(2) . . ?
C14A Ru2A P4A 86.95(13) . . ?
C53A Ru2A P4A 111.23(17) . . ?
C54A Ru2A P4A 145.77(17) . . ?
C55A Ru2A P4A 159.50(19) . . ?
C52A Ru2A P4A 101.25(17) . . ?
C14A Ru2A C51A 147.8(2) . . ?
C53A Ru2A C51A 61.6(2) . . ?
C54A Ru2A C51A 61.8(2) . . ?
C55A Ru2A C51A 37.5(3) . . ?
C52A Ru2A C51A 36.2(3) . . ?
P4A Ru2A C51A 122.0(2) . . ?
C14A Ru2A P3A 87.15(14) . . ?
C53A Ru2A P3A 164.81(17) . . ?
C54A Ru2A P3A 129.53(16) . . ?
C55A Ru2A P3A 103.49(17) . . ?
C52A Ru2A P3A 139.9(2) . . ?
P4A Ru2A P3A 83.56(5) . . ?
C51A Ru2A P3A 108.17(19) . . ?
C2A C1A C6A 120.0 . . ?
C2A C1A C7C 101.1(5) . . ?
C6A C1A C7C 138.9(5) . . ?
C2A C1A S1A 117.7(2) . . ?
C6A C1A S1A 122.3(2) . . ?
C7C C1A S1A 16.8(5) . . ?
C1A C2A C3A 120.0 . . ?
C1A C2A C7A 105.6(5) . . ?
C3A C2A C7A 134.4(5) . . ?
C1A C2A S1C 120.5(2) . . ?
C3A C2A S1C 119.5(2) . . ?
C7A C2A S1C 14.9(5) . . ?
C4A C3A C2A 120.0 . . ?
C4A C3A H3A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C3A C4A C5A 120.0 . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C4A C5A C11C 137.3(5) . . ?
C6A C5A C11C 102.7(5) . . ?
C4A C5A S2A 121.9(2) . . ?
C6A C5A S2A 118.1(2) . . ?
C11C C5A S2A 15.5(5) . . ?
C5A C6A C1A 120.0 . . ?
C5A C6A C11A 105.1(5) . . ?
C1A C6A C11A 134.9(5) . . ?
C5A C6A S2C 120.4(2) . . ?
C1A C6A S2C 119.6(2) . . ?
C11A C6A S2C 15.3(5) . . ?
C8A C7A C2A 117.0(8) . . ?
C8A C7A H7A 121.5 . . ?
C2A C7A H7A 121.5 . . ?
C7C C8A C7A 96.2(7) . . ?
C7C C8A C9A 132.7(6) . . ?
C7A C8A C9A 131.1(6) . . ?
C7C C8A S1C 110.4(6) . . ?
C7A C8A S1C 14.2(5) . . ?
C9A C8A S1C 116.9(4) . . ?
C7C C8A S1A 14.4(5) . . ?
C7A C8A S1A 110.4(5) . . ?
C9A C8A S1A 118.5(3) . . ?
S1C C8A S1A 124.6(3) . . ?
C10A C9A C8A 177.0(5) . . ?
C9A C10A Ru1A 174.3(4) . . ?
C12A C11A C6A 116.2(8) . . ?
C12A C11A H11A 121.9 . . ?
C6A C11A H11A 121.9 . . ?
C11C C12A C11A 97.8(7) . . ?
C11C C12A C13A 130.9(6) . . ?
C11A C12A C13A 131.3(6) . . ?
C11C C12A S2A 14.0(5) . . ?
C11A C12A S2A 111.7(5) . . ?
C13A C12A S2A 117.0(3) . . ?
C11C C12A S2C 110.8(6) . . ?
C11A C12A S2C 13.1(5) . . ?
C13A C12A S2C 118.3(4) . . ?
S2A C12A S2C 124.6(3) . . ?
C14A C13A C12A 171.1(5) . . ?
C13A C14A Ru2A 168.9(4) . . ?
C19A C15A C16A 107.3(5) . . ?
C19A C15A C20A 126.6(5) . . ?
C16A C15A C20A 125.9(5) . . ?
C19A C15A Ru1A 72.4(3) . . ?
C16A C15A Ru1A 70.1(3) . . ?
C20A C15A Ru1A 126.8(4) . . ?
C15A C16A C17A 108.4(4) . . ?
C15A C16A C21A 125.0(5) . . ?
C17A C16A C21A 126.3(5) . . ?
C15A C16A Ru1A 72.7(3) . . ?
C17A C16A Ru1A 73.4(3) . . ?
C21A C16A Ru1A 124.7(4) . . ?
C18A C17A C16A 108.0(4) . . ?
C18A C17A C22A 126.4(5) . . ?
C16A C17A C22A 125.3(5) . . ?
C18A C17A Ru1A 72.4(3) . . ?
C16A C17A Ru1A 69.4(3) . . ?
C22A C17A Ru1A 129.1(4) . . ?
C17A C18A C19A 107.4(4) . . ?
C17A C18A C23A 126.9(5) . . ?
C19A C18A C23A 124.5(5) . . ?
C17A C18A Ru1A 71.2(3) . . ?
C19A C18A Ru1A 71.1(3) . . ?
C23A C18A Ru1A 132.7(3) . . ?
C15A C19A C18A 108.9(4) . . ?
C15A C19A C24A 126.1(5) . . ?
C18A C19A C24A 124.7(5) . . ?
C15A C19A Ru1A 70.9(3) . . ?
C18A C19A Ru1A 72.2(3) . . ?
C24A C19A Ru1A 128.2(3) . . ?
C15A C20A H20A 109.5 . . ?
C15A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C15A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
C16A C21A H21A 109.5 . . ?
C16A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C16A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C17A C22A H22A 109.5 . . ?
C17A C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C17A C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C18A C23A H23A 109.5 . . ?
C18A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C18A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C19A C24A H24A 109.5 . . ?
C19A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C19A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C26A C25A C30A 117.1(5) . . ?
C26A C25A P1A 120.7(4) . . ?
C30A C25A P1A 122.2(4) . . ?
C25A C26A C27A 121.3(7) . . ?
C25A C26A H26A 119.4 . . ?
C27A C26A H26A 119.4 . . ?
C28A C27A C26A 119.1(8) . . ?
C28A C27A H27A 120.4 . . ?
C26A C27A H27A 120.4 . . ?
C29A C28A C27A 120.9(7) . . ?
C29A C28A H28A 119.5 . . ?
C27A C28A H28A 119.5 . . ?
C28A C29A C30A 119.5(7) . . ?
C28A C29A H29A 120.2 . . ?
C30A C29A H29A 120.2 . . ?
C29A C30A C25A 122.1(7) . . ?
C29A C30A H30A 119.0 . . ?
C25A C30A H30A 119.0 . . ?
C32A C31A C36A 119.5(6) . . ?
C32A C31A P1A 120.7(4) . . ?
C36A C31A P1A 119.8(5) . . ?
C31A C32A C33A 119.9(7) . . ?
C31A C32A H32A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C34A C33A C32A 120.6(9) . . ?
C34A C33A H33A 119.7 . . ?
C32A C33A H33A 119.7 . . ?
C33A C34A C35A 121.0(8) . . ?
C33A C34A H34A 119.5 . . ?
C35A C34A H34A 119.5 . . ?
C36A C35A C34A 119.0(8) . . ?
C36A C35A H35A 120.5 . . ?
C34A C35A H35A 120.5 . . ?
C35A C36A C31A 120.0(8) . . ?
C35A C36A H36A 120.0 . . ?
C31A C36A H36A 120.0 . . ?
C38A C37A P1A 110.8(3) . . ?
C38A C37A H37A 109.5 . . ?
P1A C37A H37A 109.5 . . ?
C38A C37A H37B 109.5 . . ?
P1A C37A H37B 109.5 . . ?
H37A C37A H37B 108.1 . . ?
C37A C38A P2A 108.5(3) . . ?
C37A C38A H38A 110.0 . . ?
P2A C38A H38A 110.0 . . ?
C37A C38A H38B 110.0 . . ?
P2A C38A H38B 110.0 . . ?
H38A C38A H38B 108.4 . . ?
C40A C39A C44A 118.5(5) . . ?
C40A C39A P2A 120.3(4) . . ?
C44A C39A P2A 121.2(4) . . ?
C39A C40A C41A 120.7(6) . . ?
C39A C40A H40A 119.7 . . ?
C41A C40A H40A 119.7 . . ?
C42A C41A C40A 119.8(6) . . ?
C42A C41A H41A 120.1 . . ?
C40A C41A H41A 120.1 . . ?
C43A C42A C41A 119.7(6) . . ?
C43A C42A H42A 120.1 . . ?
C41A C42A H42A 120.1 . . ?
C42A C43A C44A 121.1(6) . . ?
C42A C43A H43A 119.4 . . ?
C44A C43A H43A 119.4 . . ?
C43A C44A C39A 120.2(6) . . ?
C43A C44A H44A 119.9 . . ?
C39A C44A H44A 119.9 . . ?
C50A C45A C46A 117.7(4) . . ?
C50A C45A P2A 121.5(4) . . ?
C46A C45A P2A 120.8(3) . . ?
C47A C46A C45A 120.9(5) . . ?
C47A C46A H46A 119.5 . . ?
C45A C46A H46A 119.5 . . ?
C48A C47A C46A 120.9(5) . . ?
C48A C47A H47A 119.6 . . ?
C46A C47A H47A 119.6 . . ?
C47A C48A C49A 119.4(5) . . ?
C47A C48A H48A 120.3 . . ?
C49A C48A H48A 120.3 . . ?
C48A C49A C50A 119.9(5) . . ?
C48A C49A H49A 120.1 . . ?
C50A C49A H49A 120.1 . . ?
C45A C50A C49A 121.2(5) . . ?
C45A C50A H50A 119.4 . . ?
C49A C50A H50A 119.4 . . ?
C52A C51A C55A 106.2(6) . . ?
C52A C51A C56A 127.2(8) . . ?
C55A C51A C56A 125.8(8) . . ?
C52A C51A Ru2A 71.5(3) . . ?
C55A C51A Ru2A 70.8(3) . . ?
C56A C51A Ru2A 130.4(5) . . ?
C51A C52A C53A 109.9(6) . . ?
C51A C52A C57A 125.3(7) . . ?
C53A C52A C57A 124.4(8) . . ?
C51A C52A Ru2A 72.2(3) . . ?
C53A C52A Ru2A 70.8(3) . . ?
C57A C52A Ru2A 129.1(5) . . ?
C52A C53A C54A 107.8(6) . . ?
C52A C53A C58A 126.1(7) . . ?
C54A C53A C58A 125.9(6) . . ?
C52A C53A Ru2A 72.6(3) . . ?
C54A C53A Ru2A 72.3(3) . . ?
C58A C53A Ru2A 125.1(4) . . ?
C53A C54A C55A 108.2(5) . . ?
C53A C54A C59A 126.6(7) . . ?
C55A C54A C59A 124.8(7) . . ?
C53A C54A Ru2A 70.9(3) . . ?
C55A C54A Ru2A 71.8(3) . . ?
C59A C54A Ru2A 128.3(4) . . ?
C54A C55A C51A 107.9(6) . . ?
C54A C55A C60A 125.2(7) . . ?
C51A C55A C60A 126.4(8) . . ?
C54A C55A Ru2A 71.6(3) . . ?
C51A C55A Ru2A 71.7(3) . . ?
C60A C55A Ru2A 128.5(4) . . ?
C51A C56A H56A 109.5 . . ?
C51A C56A H56B 109.5 . . ?
H56A C56A H56B 109.5 . . ?
C51A C56A H56C 109.5 . . ?
H56A C56A H56C 109.5 . . ?
H56B C56A H56C 109.5 . . ?
C52A C57A H57A 109.5 . . ?
C52A C57A H57B 109.5 . . ?
H57A C57A H57B 109.5 . . ?
C52A C57A H57C 109.5 . . ?
H57A C57A H57C 109.5 . . ?
H57B C57A H57C 109.5 . . ?
C53A C58A H58A 109.5 . . ?
C53A C58A H58B 109.5 . . ?
H58A C58A H58B 109.5 . . ?
C53A C58A H58C 109.5 . . ?
H58A C58A H58C 109.5 . . ?
H58B C58A H58C 109.5 . . ?
C54A C59A H59A 109.5 . . ?
C54A C59A H59B 109.5 . . ?
H59A C59A H59B 109.5 . . ?
C54A C59A H59C 109.5 . . ?
H59A C59A H59C 109.5 . . ?
H59B C59A H59C 109.5 . . ?
C55A C60A H60A 109.5 . . ?
C55A C60A H60B 109.5 . . ?
H60A C60A H60B 109.5 . . ?
C55A C60A H60C 109.5 . . ?
H60A C60A H60C 109.5 . . ?
H60B C60A H60C 109.5 . . ?
C66A C61A C62A 118.2(5) . . ?
C66A C61A P3A 120.8(4) . . ?
C62A C61A P3A 121.0(4) . . ?
C63A C62A C61A 120.2(5) . . ?
C63A C62A H62A 119.9 . . ?
C61A C62A H62A 119.9 . . ?
C64A C63A C62A 120.6(6) . . ?
C64A C63A H63A 119.7 . . ?
C62A C63A H63A 119.7 . . ?
C63A C64A C65A 120.7(6) . . ?
C63A C64A H64A 119.7 . . ?
C65A C64A H64A 119.7 . . ?
C64A C65A C66A 119.1(6) . . ?
C64A C65A H65A 120.5 . . ?
C66A C65A H65A 120.5 . . ?
C61A C66A C65A 121.2(6) . . ?
C61A C66A H66A 119.4 . . ?
C65A C66A H66A 119.4 . . ?
C68A C67A C72A 117.3(6) . . ?
C68A C67A P3A 120.6(5) . . ?
C72A C67A P3A 121.8(5) . . ?
C67A C68A C69A 121.7(8) . . ?
C67A C68A H68A 119.2 . . ?
C69A C68A H68A 119.2 . . ?
C70A C69A C68A 118.2(10) . . ?
C70A C69A H69A 120.9 . . ?
C68A C69A H69A 120.9 . . ?
C71A C70A C69A 120.6(9) . . ?
C71A C70A H70A 119.7 . . ?
C69A C70A H70A 119.7 . . ?
C70A C71A C72A 122.0(11) . . ?
C70A C71A H71A 119.0 . . ?
C72A C71A H71A 119.0 . . ?
C71A C72A C67A 120.2(9) . . ?
C71A C72A H72A 119.9 . . ?
C67A C72A H72A 119.9 . . ?
C74A C73A P3A 111.5(3) . . ?
C74A C73A H73A 109.3 . . ?
P3A C73A H73A 109.3 . . ?
C74A C73A H73B 109.3 . . ?
P3A C73A H73B 109.3 . . ?
H73A C73A H73B 108.0 . . ?
C73A C74A P4A 107.9(3) . . ?
C73A C74A H74A 110.1 . . ?
P4A C74A H74A 110.1 . . ?
C73A C74A H74B 110.1 . . ?
P4A C74A H74B 110.1 . . ?
H74A C74A H74B 108.4 . . ?
C76A C75A C80A 117.4(5) . . ?
C76A C75A P4A 120.4(4) . . ?
C80A C75A P4A 122.2(5) . . ?
C75A C76A C77A 121.2(6) . . ?
C75A C76A H76A 119.4 . . ?
C77A C76A H76A 119.4 . . ?
C78A C77A C76A 119.8(7) . . ?
C78A C77A H77A 120.1 . . ?
C76A C77A H77A 120.1 . . ?
C79A C78A C77A 120.0(6) . . ?
C79A C78A H78A 120.0 . . ?
C77A C78A H78A 120.0 . . ?
C78A C79A C80A 120.8(6) . . ?
C78A C79A H79A 119.6 . . ?
C80A C79A H79A 119.6 . . ?
C79A C80A C75A 120.7(6) . . ?
C79A C80A H80A 119.6 . . ?
C75A C80A H80A 119.6 . . ?
C82A C81A C86A 120.0 . . ?
C82A C81A P4A 120.5(2) . . ?
C86A C81A P4A 119.4(2) . . ?
C83A C82A C81A 120.0 . . ?
C84A C83A C82A 120.0 . . ?
C84A C83A H83A 120.0 . . ?
C82A C83A H83A 120.0 . . ?
C85A C84A C83A 120.0 . . ?
C85A C84A H84A 120.0 . . ?
C83A C84A H84A 120.0 . . ?
C84A C85A C86A 120.0 . . ?
C84A C85A H85A 120.0 . . ?
C86A C85A H85A 120.0 . . ?
C85A C86A C81A 120.0 . . ?
C85A C86A H86A 120.0 . . ?
C81A C86A H86A 120.0 . . ?
C10B Ru1B C16B 93.0(2) . . ?
C10B Ru1B C15B 91.43(19) . . ?
C16B Ru1B C15B 37.4(2) . . ?
C10B Ru1B C17B 126.2(2) . . ?
C16B Ru1B C17B 36.9(2) . . ?
C15B Ru1B C17B 61.4(2) . . ?
C10B Ru1B C19B 122.22(19) . . ?
C16B Ru1B C19B 62.2(2) . . ?
C15B Ru1B C19B 36.8(2) . . ?
C17B Ru1B C19B 61.6(2) . . ?
C10B Ru1B C18B 151.81(18) . . ?
C16B Ru1B C18B 61.5(2) . . ?
C15B Ru1B C18B 61.18(19) . . ?
C17B Ru1B C18B 36.5(2) . . ?
C19B Ru1B C18B 36.9(2) . . ?
C10B Ru1B P1B 87.89(14) . . ?
C16B Ru1B P1B 159.25(18) . . ?
C15B Ru1B P1B 121.90(18) . . ?
C17B Ru1B P1B 145.82(16) . . ?
C19B Ru1B P1B 99.97(17) . . ?
C18B Ru1B P1B 111.47(16) . . ?
C10B Ru1B P2B 81.57(14) . . ?
C16B Ru1B P2B 117.26(18) . . ?
C15B Ru1B P2B 153.66(18) . . ?
C17B Ru1B P2B 102.67(15) . . ?
C19B Ru1B P2B 155.91(15) . . ?
C18B Ru1B P2B 119.64(15) . . ?
P1B Ru1B P2B 83.40(4) . . ?
C14B Ru2B C54B 93.61(19) . . ?
C14B Ru2B C53B 127.5(2) . . ?
C54B Ru2B C53B 36.7(2) . . ?
C14B Ru2B C55B 89.82(19) . . ?
C54B Ru2B C55B 37.6(2) . . ?
C53B Ru2B C55B 61.4(2) . . ?
C14B Ru2B C51B 119.4(2) . . ?
C54B Ru2B C51B 61.49(19) . . ?
C53B Ru2B C51B 60.97(19) . . ?
C55B Ru2B C51B 36.10(19) . . ?
C14B Ru2B C52B 150.33(19) . . ?
C54B Ru2B C52B 61.30(19) . . ?
C53B Ru2B C52B 36.6(2) . . ?
C55B Ru2B C52B 60.75(19) . . ?
C51B Ru2B C52B 36.34(19) . . ?
C14B Ru2B P3B 84.38(14) . . ?
C54B Ru2B P3B 113.78(16) . . ?
C53B Ru2B P3B 100.00(15) . . ?
C55B Ru2B P3B 150.50(16) . . ?
C51B Ru2B P3B 155.21(15) . . ?
C52B Ru2B P3B 118.96(15) . . ?
C14B Ru2B P4B 86.93(14) . . ?
C54B Ru2B P4B 163.05(16) . . ?
C53B Ru2B P4B 145.53(16) . . ?
C55B Ru2B P4B 125.49(16) . . ?
C51B Ru2B P4B 103.63(14) . . ?
C52B Ru2B P4B 112.36(15) . . ?
P3B Ru2B P4B 83.14(4) . . ?
C2B C1B C6B 120.0 . . ?
C2B C1B C7D 103.3(4) . . ?
C6B C1B C7D 136.7(4) . . ?
C2B C1B S1B 117.73(19) . . ?
C6B C1B S1B 122.24(19) . . ?
C7D C1B S1B 14.5(4) . . ?
C1B C2B C3B 120.0 . . ?
C1B C2B C7B 105.1(4) . . ?
C3B C2B C7B 134.8(4) . . ?
C1B C2B S1D 118.3(2) . . ?
C3B C2B S1D 121.7(2) . . ?
C7B C2B S1D 13.2(4) . . ?
C2B C3B C4B 120.0 . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C5B C4B C3B 120.0 . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C4B C5B C6B 120.0 . . ?
C4B C5B C11D 137.8(5) . . ?
C6B C5B C11D 101.9(5) . . ?
C4B C5B S2B 122.2(2) . . ?
C6B C5B S2B 117.8(2) . . ?
C11D C5B S2B 16.3(5) . . ?
C5B C6B C1B 120.0 . . ?
C5B C6B C11B 105.0(4) . . ?
C1B C6B C11B 134.8(4) . . ?
C5B C6B S2D 120.5(2) . . ?
C1B C6B S2D 119.3(2) . . ?
C11B C6B S2D 15.5(4) . . ?
C8B C7B C2B 115.9(7) . . ?
C8B C7B H7B 122.1 . . ?
C2B C7B H7B 122.1 . . ?
C7B C8B C7D 99.0(6) . . ?
C7B C8B C9B 131.8(5) . . ?
C7D C8B C9B 129.1(6) . . ?
C7B C8B S1D 13.4(4) . . ?
C7D C8B S1D 112.4(5) . . ?
C9B C8B S1D 118.4(3) . . ?
C7B C8B S1B 111.4(5) . . ?
C7D C8B S1B 12.4(4) . . ?
C9B C8B S1B 116.8(4) . . ?
S1D C8B S1B 124.8(3) . . ?
C10B C9B C8B 173.2(6) . . ?
C9B C10B Ru1B 173.8(4) . . ?
C12B C11B C6B 117.3(8) . . ?
C12B C11B H11B 121.3 . . ?
C6B C11B H11B 121.3 . . ?
C11B C12B C11D 97.3(7) . . ?
C11B C12B C13B 130.0(6) . . ?
C11D C12B C13B 132.7(6) . . ?
C11B C12B S2D 14.4(4) . . ?
C11D C12B S2D 111.6(5) . . ?
C13B C12B S2D 115.7(4) . . ?
C11B C12B S2B 111.0(5) . . ?
C11D C12B S2B 14.2(5) . . ?
C13B C12B S2B 119.0(4) . . ?
S2D C12B S2B 125.4(3) . . ?
C14B C13B C12B 178.0(5) . . ?
C13B C14B Ru2B 173.4(4) . . ?
C19B C15B C16B 108.9(5) . . ?
C19B C15B C20B 126.7(6) . . ?
C16B C15B C20B 124.2(6) . . ?
C19B C15B Ru1B 72.4(3) . . ?
C16B C15B Ru1B 71.0(3) . . ?
C20B C15B Ru1B 126.9(4) . . ?
C17B C16B C15B 107.2(5) . . ?
C17B C16B C21B 128.2(7) . . ?
C15B C16B C21B 123.8(6) . . ?
C17B C16B Ru1B 72.5(3) . . ?
C15B C16B Ru1B 71.6(3) . . ?
C21B C16B Ru1B 129.2(4) . . ?
C18B C17B C16B 108.6(5) . . ?
C18B C17B C22B 124.6(6) . . ?
C16B C17B C22B 126.6(6) . . ?
C18B C17B Ru1B 72.2(3) . . ?
C16B C17B Ru1B 70.6(3) . . ?
C22B C17B Ru1B 127.3(4) . . ?
C17B C18B C19B 108.4(5) . . ?
C17B C18B C23B 126.7(6) . . ?
C19B C18B C23B 123.7(6) . . ?
C17B C18B Ru1B 71.3(3) . . ?
C19B C18B Ru1B 71.3(3) . . ?
C23B C18B Ru1B 133.0(4) . . ?
C15B C19B C18B 106.9(5) . . ?
C15B C19B C24B 125.0(6) . . ?
C18B C19B C24B 127.5(5) . . ?
C15B C19B Ru1B 70.8(3) . . ?
C18B C19B Ru1B 71.8(3) . . ?
C24B C19B Ru1B 129.4(4) . . ?
C15B C20B H20D 109.5 . . ?
C15B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C15B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
C16B C21B H21D 109.5 . . ?
C16B C21B H21E 109.5 . . ?
H21D C21B H21E 109.5 . . ?
C16B C21B H21F 109.5 . . ?
H21D C21B H21F 109.5 . . ?
H21E C21B H21F 109.5 . . ?
C17B C22B H22D 109.5 . . ?
C17B C22B H22E 109.5 . . ?
H22D C22B H22E 109.5 . . ?
C17B C22B H22F 109.5 . . ?
H22D C22B H22F 109.5 . . ?
H22E C22B H22F 109.5 . . ?
C18B C23B H23D 109.5 . . ?
C18B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C18B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C19B C24B H24D 109.5 . . ?
C19B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C19B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C26B C25B C30B 117.9(5) . . ?
C26B C25B P1B 119.2(4) . . ?
C30B C25B P1B 122.8(5) . . ?
C25B C26B C27B 121.3(6) . . ?
C25B C26B H26B 119.4 . . ?
C27B C26B H26B 119.4 . . ?
C28B C27B C26B 119.8(7) . . ?
C28B C27B H27B 120.1 . . ?
C26B C27B H27B 120.1 . . ?
C27B C28B C29B 120.4(7) . . ?
C27B C28B H28B 119.8 . . ?
C29B C28B H28B 119.8 . . ?
C28B C29B C30B 120.7(7) . . ?
C28B C29B H29B 119.6 . . ?
C30B C29B H29B 119.6 . . ?
C25B C30B C29B 119.8(7) . . ?
C25B C30B H30B 120.1 . . ?
C29B C30B H30B 120.1 . . ?
C32B C31B C36B 117.4(6) . . ?
C32B C31B P1B 124.1(5) . . ?
C36B C31B P1B 118.5(5) . . ?
C31B C32B C33B 122.2(7) . . ?
C31B C32B H32B 118.9 . . ?
C33B C32B H32B 118.9 . . ?
C34B C33B C32B 118.6(8) . . ?
C34B C33B H33B 120.7 . . ?
C32B C33B H33B 120.7 . . ?
C33B C34B C35B 121.1(8) . . ?
C33B C34B H34B 119.5 . . ?
C35B C34B H34B 119.5 . . ?
C34B C35B C36B 119.7(8) . . ?
C34B C35B H35B 120.1 . . ?
C36B C35B H35B 120.1 . . ?
C31B C36B C35B 120.9(8) . . ?
C31B C36B H36B 119.5 . . ?
C35B C36B H36B 119.5 . . ?
C38B C37B P1B 108.8(3) . . ?
C38B C37B H37C 109.9 . . ?
P1B C37B H37C 109.9 . . ?
C38B C37B H37D 109.9 . . ?
P1B C37B H37D 109.9 . . ?
H37C C37B H37D 108.3 . . ?
C37B C38B P2B 107.5(3) . . ?
C37B C38B H38C 110.2 . . ?
P2B C38B H38C 110.2 . . ?
C37B C38B H38D 110.2 . . ?
P2B C38B H38D 110.2 . . ?
H38C C38B H38D 108.5 . . ?
C40B C39B C44B 118.3(5) . . ?
C40B C39B P2B 118.6(4) . . ?
C44B C39B P2B 122.8(4) . . ?
C41B C40B C39B 120.8(5) . . ?
C41B C40B H40B 119.6 . . ?
C39B C40B H40B 119.6 . . ?
C42B C41B C40B 120.1(5) . . ?
C42B C41B H41B 120.0 . . ?
C40B C41B H41B 120.0 . . ?
C43B C42B C41B 120.3(5) . . ?
C43B C42B H42B 119.8 . . ?
C41B C42B H42B 119.8 . . ?
C42B C43B C44B 120.1(5) . . ?
C42B C43B H43B 119.9 . . ?
C44B C43B H43B 119.9 . . ?
C43B C44B C39B 120.4(5) . . ?
C43B C44B H44B 119.8 . . ?
C39B C44B H44B 119.8 . . ?
C50B C45B C46B 117.5(5) . . ?
C50B C45B P2B 120.0(4) . . ?
C46B C45B P2B 122.5(4) . . ?
C47B C46B C45B 121.1(5) . . ?
C47B C46B H46B 119.4 . . ?
C45B C46B H46B 119.4 . . ?
C46B C47B C48B 119.9(5) . . ?
C46B C47B H47B 120.0 . . ?
C48B C47B H47B 120.0 . . ?
C49B C48B C47B 120.2(5) . . ?
C49B C48B H48B 119.9 . . ?
C47B C48B H48B 119.9 . . ?
C48B C49B C50B 119.7(6) . . ?
C48B C49B H49B 120.2 . . ?
C50B C49B H49B 120.2 . . ?
C45B C50B C49B 121.6(6) . . ?
C45B C50B H50B 119.2 . . ?
C49B C50B H50B 119.2 . . ?
C55B C51B C52B 108.8(5) . . ?
C55B C51B C56B 125.5(6) . . ?
C52B C51B C56B 125.2(6) . . ?
C55B C51B Ru2B 71.5(3) . . ?
C52B C51B Ru2B 72.1(3) . . ?
C56B C51B Ru2B 128.7(4) . . ?
C53B C52B C51B 107.4(5) . . ?
C53B C52B C57B 125.9(6) . . ?
C51B C52B C57B 125.7(6) . . ?
C53B C52B Ru2B 70.0(3) . . ?
C51B C52B Ru2B 71.6(3) . . ?
C57B C52B Ru2B 132.3(4) . . ?
C54B C53B C52B 109.0(5) . . ?
C54B C53B C58B 125.0(6) . . ?
C52B C53B C58B 125.5(6) . . ?
C54B C53B Ru2B 71.2(3) . . ?
C52B C53B Ru2B 73.4(3) . . ?
C58B C53B Ru2B 127.9(4) . . ?
C53B C54B C55B 107.4(5) . . ?
C53B C54B C59B 129.2(7) . . ?
C55B C54B C59B 123.3(6) . . ?
C53B C54B Ru2B 72.1(3) . . ?
C55B C54B Ru2B 72.6(3) . . ?
C59B C54B Ru2B 123.9(4) . . ?
C51B C55B C54B 107.4(5) . . ?
C51B C55B C60B 127.0(6) . . ?
C54B C55B C60B 125.4(6) . . ?
C51B C55B Ru2B 72.4(3) . . ?
C54B C55B Ru2B 69.8(3) . . ?
C60B C55B Ru2B 126.3(4) . . ?
C51B C56B H56D 109.5 . . ?
C51B C56B H56E 109.5 . . ?
H56D C56B H56E 109.5 . . ?
C51B C56B H56F 109.5 . . ?
H56D C56B H56F 109.5 . . ?
H56E C56B H56F 109.5 . . ?
C52B C57B H57D 109.5 . . ?
C52B C57B H57E 109.5 . . ?
H57D C57B H57E 109.5 . . ?
C52B C57B H57F 109.5 . . ?
H57D C57B H57F 109.5 . . ?
H57E C57B H57F 109.5 . . ?
C53B C58B H58D 109.5 . . ?
C53B C58B H58E 109.5 . . ?
H58D C58B H58E 109.5 . . ?
C53B C58B H58F 109.5 . . ?
H58D C58B H58F 109.5 . . ?
H58E C58B H58F 109.5 . . ?
C54B C59B H59D 109.5 . . ?
C54B C59B H59E 109.5 . . ?
H59D C59B H59E 109.5 . . ?
C54B C59B H59F 109.5 . . ?
H59D C59B H59F 109.5 . . ?
H59E C59B H59F 109.5 . . ?
C55B C60B H60D 109.5 . . ?
C55B C60B H60E 109.5 . . ?
H60D C60B H60E 109.5 . . ?
C55B C60B H60F 109.5 . . ?
H60D C60B H60F 109.5 . . ?
H60E C60B H60F 109.5 . . ?
C62B C61B C66B 117.6(5) . . ?
C62B C61B P3B 120.8(4) . . ?
C66B C61B P3B 121.5(4) . . ?
C63B C62B C61B 121.4(6) . . ?
C63B C62B H62B 119.3 . . ?
C61B C62B H62B 119.3 . . ?
C64B C63B C62B 119.7(7) . . ?
C64B C63B H63B 120.1 . . ?
C62B C63B H63B 120.1 . . ?
C65B C64B C63B 120.4(6) . . ?
C65B C64B H64B 119.8 . . ?
C63B C64B H64B 119.8 . . ?
C64B C65B C66B 120.3(6) . . ?
C64B C65B H65B 119.8 . . ?
C66B C65B H65B 119.8 . . ?
C65B C66B C61B 120.6(6) . . ?
C65B C66B H66B 119.7 . . ?
C61B C66B H66B 119.7 . . ?
C72B C67B C68B 118.2(5) . . ?
C72B C67B P3B 120.3(4) . . ?
C68B C67B P3B 121.4(4) . . ?
C69B C68B C67B 120.7(6) . . ?
C69B C68B H68B 119.7 . . ?
C67B C68B H68B 119.6 . . ?
C68B C69B C70B 120.5(6) . . ?
C68B C69B H69B 119.8 . . ?
C70B C69B H69B 119.8 . . ?
C69B C70B C71B 120.5(6) . . ?
C69B C70B H70B 119.7 . . ?
C71B C70B H70B 119.7 . . ?
C70B C71B C72B 119.4(7) . . ?
C70B C71B H71B 120.3 . . ?
C72B C71B H71B 120.3 . . ?
C67B C72B C71B 120.7(6) . . ?
C67B C72B H72B 119.6 . . ?
C71B C72B H72B 119.6 . . ?
C74B C73B P3B 106.2(3) . . ?
C74B C73B H73C 110.5 . . ?
P3B C73B H73C 110.5 . . ?
C74B C73B H73D 110.5 . . ?
P3B C73B H73D 110.5 . . ?
H73C C73B H73D 108.7 . . ?
C73B C74B P4B 110.0(3) . . ?
C73B C74B H74C 109.7 . . ?
P4B C74B H74C 109.7 . . ?
C73B C74B H74D 109.7 . . ?
P4B C74B H74D 109.7 . . ?
H74C C74B H74D 108.2 . . ?
C76B C75B C80B 118.1(5) . . ?
C76B C75B P4B 122.3(4) . . ?
C80B C75B P4B 119.7(4) . . ?
C75B C76B C77B 120.6(6) . . ?
C75B C76B H76B 119.7 . . ?
C77B C76B H76B 119.7 . . ?
C78B C77B C76B 120.7(6) . . ?
C78B C77B H77B 119.7 . . ?
C76B C77B H77B 119.7 . . ?
C77B C78B C79B 120.1(6) . . ?
C77B C78B H78B 120.0 . . ?
C79B C78B H78B 120.0 . . ?
C78B C79B C80B 119.9(6) . . ?
C78B C79B H79B 120.1 . . ?
C80B C79B H79B 120.1 . . ?
C79B C80B C75B 120.6(6) . . ?
C79B C80B H80B 119.7 . . ?
C75B C80B H80B 119.7 . . ?
C82B C81B C86B 117.5(5) . . ?
C82B C81B P4B 120.1(4) . . ?
C86B C81B P4B 122.2(4) . . ?
C81B C82B C83B 120.7(5) . . ?
C81B C82B H82B 119.6 . . ?
C83B C82B H82B 119.6 . . ?
C84B C83B C82B 121.3(6) . . ?
C84B C83B H83B 119.3 . . ?
C82B C83B H83B 119.3 . . ?
C83B C84B C85B 118.4(6) . . ?
C83B C84B H84B 120.8 . . ?
C85B C84B H84B 120.8 . . ?
C84B C85B C86B 120.7(6) . . ?
C84B C85B H85B 119.7 . . ?
C86B C85B H85B 119.7 . . ?
C81B C86B C85B 121.4(5) . . ?
C81B C86B H86B 119.3 . . ?
C85B C86B H86B 119.3 . . ?
C25A P1A C31A 100.3(2) . . ?
C25A P1A C37A 103.0(2) . . ?
C31A P1A C37A 103.5(2) . . ?
C25A P1A Ru1A 118.45(16) . . ?
C31A P1A Ru1A 118.52(18) . . ?
C37A P1A Ru1A 110.90(16) . . ?
C38A P2A C45A 104.9(2) . . ?
C38A P2A C39A 102.9(2) . . ?
C45A P2A C39A 100.3(2) . . ?
C38A P2A Ru1A 107.76(15) . . ?
C45A P2A Ru1A 118.34(14) . . ?
C39A P2A Ru1A 120.71(16) . . ?
C67A P3A C61A 98.3(2) . . ?
C67A P3A C73A 104.2(3) . . ?
C61A P3A C73A 102.3(2) . . ?
C67A P3A Ru2A 117.06(17) . . ?
C61A P3A Ru2A 122.27(17) . . ?
C73A P3A Ru2A 110.43(17) . . ?
C75A P4A C81A 100.2(2) . . ?
C75A P4A C74A 105.4(2) . . ?
C81A P4A C74A 101.0(2) . . ?
C75A P4A Ru2A 118.39(17) . . ?
C81A P4A Ru2A 122.29(14) . . ?
C74A P4A Ru2A 107.25(16) . . ?
C31B P1B C25B 101.1(2) . . ?
C31B P1B C37B 103.4(3) . . ?
C25B P1B C37B 101.2(2) . . ?
C31B P1B Ru1B 118.05(18) . . ?
C25B P1B Ru1B 120.51(19) . . ?
C37B P1B Ru1B 110.08(16) . . ?
C45B P2B C38B 102.0(2) . . ?
C45B P2B C39B 102.9(2) . . ?
C38B P2B C39B 100.0(2) . . ?
C45B P2B Ru1B 120.09(15) . . ?
C38B P2B Ru1B 108.46(16) . . ?
C39B P2B Ru1B 120.20(15) . . ?
C61B P3B C67B 101.1(2) . . ?
C61B P3B C73B 105.2(2) . . ?
C67B P3B C73B 99.7(2) . . ?
C61B P3B Ru2B 119.07(16) . . ?
C67B P3B Ru2B 121.67(17) . . ?
C73B P3B Ru2B 107.45(16) . . ?
C81B P4B C75B 99.6(2) . . ?
C81B P4B C74B 103.7(2) . . ?
C75B P4B C74B 101.8(2) . . ?
C81B P4B Ru2B 117.88(16) . . ?
C75B P4B Ru2B 121.70(17) . . ?
C74B P4B Ru2B 109.69(16) . . ?
C1A S1A C8A 89.3(2) . . ?
C12A S2A C5A 88.8(2) . . ?
C1B S1B C8B 89.7(2) . . ?
C5B S2B C12B 88.7(2) . . ?
C8A C7C C1A 119.9(9) . . ?
C8A C7C H7C 120.0 . . ?
C1A C7C H7C 120.0 . . ?
C12A C11C C5A 118.1(10) . . ?
C12A C11C H11C 120.9 . . ?
C5A C11C H11C 120.9 . . ?
C8A S1C C2A 87.9(3) . . ?
C6A S2C C12A 88.1(3) . . ?
C8B C7D C1B 116.5(8) . . ?
C8B C7D H7D 121.7 . . ?
C1B C7D H7D 121.7 . . ?
C12B C11D C5B 118.4(8) . . ?
C12B C11D H11D 120.8 . . ?
C5B C11D H11D 120.8 . . ?
C8B S1D C2B 89.3(2) . . ?
C12B S2D C6B 87.5(2) . . ?
Cl2 C1S Cl1 108.2(9) . . ?
Cl2 C1S H1S1 110.2 . . ?
Cl1 C1S H1S1 110.0 . . ?
Cl2 C1S H1S2 110.1 . . ?
Cl1 C1S H1S2 109.9 . . ?
H1S1 C1S H1S2 108.4 . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.086
