# Electronic Supplementary Material (ESI) for ChemComm.
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1450420'
_audit_update_record             
;
2016-01-28 deposited with the CCDC.
2016-03-29 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C140 H214 N2 O16 P8 Ru4, 7(C6 H6)'
_chemical_formula_sum            'C182 H256 N2 O16 P8 Ru4'
_chemical_formula_weight         3379.91

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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   16.1117(13)
_cell_length_b                   26.6027(13)
_cell_length_c                   21.6003(14)
_cell_angle_alpha                90
_cell_angle_beta                 100.029(6)
_cell_angle_gamma                90
_cell_volume                     9116.7(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    52565
_cell_measurement_theta_min      1.50
_cell_measurement_theta_max      27.21

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_F_000             3572
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    0.453
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7023
_exptl_absorpt_correction_T_max  0.8731
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_reflns_number            132362
_diffrn_reflns_av_unetI/netI     0.0966
_diffrn_reflns_av_R_equivalents  0.1944
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.494
_diffrn_reflns_theta_max         27.032
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             19507
_reflns_number_gt                13352
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0903P)²+54.0436P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0037(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         19507
_refine_ls_number_parameters     982
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0970
_refine_ls_wR_factor_ref         0.2634
_refine_ls_wR_factor_gt          0.2465
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7966(5) 0.3299(3) 0.5282(3) 0.0453(17) Uani 1 1 d . . . . .
H1 H 0.7606 0.3580 0.5301 0.054 Uiso 1 1 calc R U . . .
C2 C 0.7714(5) 0.3027(3) 0.4767(3) 0.0421(16) Uani 1 1 d . . . . .
H2 H 0.8009 0.2723 0.4723 0.050 Uiso 1 1 calc R U . . .
C3 C 0.7007(5) 0.3162(3) 0.4258(3) 0.0420(16) Uani 1 1 d . . . . .
C4 C 0.6992(5) 0.3005(3) 0.3643(3) 0.0441(17) Uani 1 1 d . . . . .
H4 H 0.7432 0.2794 0.3553 0.053 Uiso 1 1 calc R U . . .
C5 C 0.6354(5) 0.3145(3) 0.3156(4) 0.0447(17) Uani 1 1 d . . . . .
H5 H 0.6369 0.3029 0.2742 0.054 Uiso 1 1 calc R U . . .
C6 C 0.5694(4) 0.3451(3) 0.3259(3) 0.0402(16) Uani 1 1 d . . . . .
C7 C 0.5694(5) 0.3604(3) 0.3877(4) 0.0490(18) Uani 1 1 d . . . . .
H7 H 0.5247 0.3809 0.3967 0.059 Uiso 1 1 calc R U . . .
C8 C 0.6336(5) 0.3461(3) 0.4364(3) 0.0461(18) Uani 1 1 d . . . . .
H8 H 0.6315 0.3570 0.4780 0.055 Uiso 1 1 calc R U . . .
C9 C 0.5013(5) 0.3573(3) 0.2722(3) 0.0438(17) Uani 1 1 d . . . . .
H9 H 0.5043 0.3405 0.2338 0.053 Uiso 1 1 calc R U . . .
C10 C 0.4364(5) 0.3889(3) 0.2708(3) 0.0401(16) Uani 1 1 d . . . . .
H10 H 0.4370 0.4066 0.3091 0.048 Uiso 1 1 calc R U . . .
C11 C 0.3668(5) 0.3566(3) 0.1570(4) 0.0478(18) Uani 1 1 d . . . . .
C12 C 0.5310(5) 0.4464(3) 0.1552(4) 0.0499(18) Uani 1 1 d . . . . .
H12 H 0.5514 0.4275 0.1950 0.060 Uiso 1 1 calc R U . . .
C13 C 0.5316(6) 0.4083(4) 0.1021(5) 0.064(2) Uani 1 1 d . . . . .
H13A H 0.5174 0.4255 0.0614 0.096 Uiso 1 1 calc R U . . .
H13B H 0.4899 0.3820 0.1049 0.096 Uiso 1 1 calc R U . . .
H13C H 0.5877 0.3932 0.1059 0.096 Uiso 1 1 calc R U . . .
C14 C 0.5980(6) 0.4875(4) 0.1518(5) 0.064(2) Uani 1 1 d . . . . .
H14A H 0.6519 0.4716 0.1485 0.096 Uiso 1 1 calc R U . . .
H14B H 0.6048 0.5081 0.1899 0.096 Uiso 1 1 calc R U . . .
H14C H 0.5798 0.5087 0.1149 0.096 Uiso 1 1 calc R U . . .
C15 C 0.4425(5) 0.5274(3) 0.2051(4) 0.0506(19) Uani 1 1 d . . . . .
H15 H 0.4863 0.5460 0.1866 0.061 Uiso 1 1 calc R U . . .
C16 C 0.4805(7) 0.5165(4) 0.2740(4) 0.065(2) Uani 1 1 d . . . . .
H16A H 0.4390 0.4989 0.2942 0.097 Uiso 1 1 calc R U . . .
H16B H 0.4962 0.5482 0.2960 0.097 Uiso 1 1 calc R U . . .
H16C H 0.5308 0.4954 0.2757 0.097 Uiso 1 1 calc R U . . .
C17 C 0.3664(6) 0.5627(3) 0.2013(5) 0.060(2) Uani 1 1 d . . . . .
H17A H 0.3279 0.5496 0.2279 0.090 Uiso 1 1 calc R U . . .
H17B H 0.3370 0.5647 0.1576 0.090 Uiso 1 1 calc R U . . .
H17C H 0.3858 0.5962 0.2159 0.090 Uiso 1 1 calc R U . . .
C18 C 0.3668(5) 0.4893(3) 0.0829(4) 0.0462(17) Uani 1 1 d . . . . .
H18 H 0.3140 0.5055 0.0916 0.055 Uiso 1 1 calc R U . . .
C19 C 0.4110(6) 0.5304(4) 0.0503(4) 0.061(2) Uani 1 1 d . . . . .
H19A H 0.4575 0.5155 0.0327 0.091 Uiso 1 1 calc R U . . .
H19B H 0.4333 0.5563 0.0811 0.091 Uiso 1 1 calc R U . . .
H19C H 0.3705 0.5457 0.0165 0.091 Uiso 1 1 calc R U . . .
C20 C 0.3364(6) 0.4465(3) 0.0363(4) 0.055(2) Uani 1 1 d . . . . .
H20A H 0.2970 0.4600 0.0005 0.083 Uiso 1 1 calc R U . . .
H20B H 0.3078 0.4208 0.0574 0.083 Uiso 1 1 calc R U . . .
H20C H 0.3849 0.4315 0.0215 0.083 Uiso 1 1 calc R U . . .
C21 C 0.3008(6) 0.2889(3) 0.2796(5) 0.065(3) Uani 1 1 d . . . . .
H21 H 0.3432 0.2820 0.2519 0.078 Uiso 1 1 calc R U . . .
C22 C 0.3530(6) 0.2954(4) 0.3460(5) 0.067(3) Uani 1 1 d . . . . .
H22A H 0.3150 0.2972 0.3767 0.101 Uiso 1 1 calc R U . . .
H22B H 0.3860 0.3265 0.3476 0.101 Uiso 1 1 calc R U . . .
H22C H 0.3911 0.2667 0.3558 0.101 Uiso 1 1 calc R U . . .
C23 C 0.2469(8) 0.2418(4) 0.2759(7) 0.102(4) Uani 1 1 d . . . . .
H23A H 0.2832 0.2124 0.2871 0.153 Uiso 1 1 calc R U . . .
H23B H 0.2159 0.2378 0.2329 0.153 Uiso 1 1 calc R U . . .
H23C H 0.2070 0.2447 0.3051 0.153 Uiso 1 1 calc R U . . .
C24 C 0.1548(5) 0.3273(3) 0.1942(4) 0.0512(19) Uani 1 1 d . . . . .
H24 H 0.1323 0.2973 0.2137 0.061 Uiso 1 1 calc R U . . .
C25 C 0.1783(7) 0.3103(4) 0.1322(4) 0.068(3) Uani 1 1 d . . . . .
H25A H 0.1276 0.2990 0.1038 0.102 Uiso 1 1 calc R U . . .
H25B H 0.2186 0.2824 0.1400 0.102 Uiso 1 1 calc R U . . .
H25C H 0.2039 0.3383 0.1130 0.102 Uiso 1 1 calc R U . . .
C26 C 0.0827(6) 0.3649(3) 0.1793(5) 0.061(2) Uani 1 1 d . . . . .
H26A H 0.1023 0.3948 0.1593 0.092 Uiso 1 1 calc R U . . .
H26B H 0.0637 0.3748 0.2182 0.092 Uiso 1 1 calc R U . . .
H26C H 0.0358 0.3495 0.1506 0.092 Uiso 1 1 calc R U . . .
C27 C 0.2016(5) 0.3780(4) 0.3143(4) 0.057(2) Uani 1 1 d . . . . .
H27 H 0.1643 0.4052 0.2931 0.069 Uiso 1 1 calc R U . . .
C28 C 0.2620(6) 0.4051(4) 0.3651(4) 0.066(3) Uani 1 1 d . . . . .
H28A H 0.2303 0.4282 0.3876 0.099 Uiso 1 1 calc R U . . .
H28B H 0.3030 0.4241 0.3459 0.099 Uiso 1 1 calc R U . . .
H28C H 0.2917 0.3805 0.3947 0.099 Uiso 1 1 calc R U . . .
C29 C 0.1421(6) 0.3440(4) 0.3431(5) 0.074(3) Uani 1 1 d . . . . .
H29A H 0.1734 0.3150 0.3630 0.111 Uiso 1 1 calc R U . . .
H29B H 0.0966 0.3323 0.3100 0.111 Uiso 1 1 calc R U . . .
H29C H 0.1180 0.3629 0.3747 0.111 Uiso 1 1 calc R U . . .
C30 C 0.2175(5) 0.4718(3) 0.2002(3) 0.0417(16) Uani 1 1 d . . . . .
C31 C 0.1463(5) 0.5060(3) 0.2023(3) 0.0416(16) Uani 1 1 d . . . . .
C32 C 0.1473(5) 0.5388(3) 0.2532(4) 0.0434(16) Uani 1 1 d . . . . .
H32 H 0.1933 0.5384 0.2873 0.052 Uiso 1 1 calc R U . . .
C33 C 0.0813(5) 0.5715(3) 0.2533(3) 0.0403(16) Uani 1 1 d . . . . .
C34 C 0.0129(5) 0.5719(3) 0.2042(4) 0.0426(16) Uani 1 1 d . . . . .
H34 H -0.0315 0.5953 0.2045 0.051 Uiso 1 1 calc R U . . .
C35 C 0.0093(5) 0.5381(3) 0.1548(3) 0.0464(18) Uani 1 1 d . . . . .
C36 C 0.0771(5) 0.5057(3) 0.1528(4) 0.0441(17) Uani 1 1 d . . . . .
H36 H 0.0763 0.4835 0.1182 0.053 Uiso 1 1 calc R U . . .
C37 C -0.0909(5) 0.5870(3) 0.0823(4) 0.0507(19) Uani 1 1 d . . . . .
C38 C -0.0375(6) 0.6192(4) 0.0592(5) 0.062(2) Uani 1 1 d . . . . .
H38 H 0.0187 0.6092 0.0575 0.074 Uiso 1 1 calc R U . . .
C39 C -0.0660(6) 0.6668(4) 0.0380(5) 0.067(3) Uani 1 1 d . . . . .
H39 H -0.0284 0.6895 0.0230 0.080 Uiso 1 1 calc R U . . .
C40 C -0.1496(5) 0.6815(3) 0.0385(4) 0.0513(19) Uani 1 1 d . . . . .
C41 C -0.2017(5) 0.6490(3) 0.0615(4) 0.053(2) Uani 1 1 d . . . . .
H41 H -0.2582 0.6587 0.0626 0.064 Uiso 1 1 calc R U . . .
C42 C -0.1735(5) 0.6016(3) 0.0836(4) 0.054(2) Uani 1 1 d . . . . .
H42 H -0.2107 0.5793 0.0996 0.065 Uiso 1 1 calc R U . . .
C43 C -0.2561(5) 0.7423(3) 0.0066(4) 0.056(2) Uani 1 1 d . . . . .
H43A H -0.2866 0.7231 -0.0290 0.084 Uiso 1 1 calc R U . . .
H43B H -0.2618 0.7783 -0.0026 0.084 Uiso 1 1 calc R U . . .
H43C H -0.2795 0.7347 0.0445 0.084 Uiso 1 1 calc R U . . .
C44 C -0.0924(5) 0.4939(3) 0.0735(4) 0.0468(18) Uani 1 1 d . . . . .
C45 C -0.1290(6) 0.4942(4) 0.0104(4) 0.058(2) Uani 1 1 d . . . . .
H45 H -0.1315 0.5241 -0.0138 0.070 Uiso 1 1 calc R U . . .
C46 C -0.1638(6) 0.4470(4) -0.0179(4) 0.066(3) Uani 1 1 d . . . . .
H46 H -0.1909 0.4464 -0.0607 0.080 Uiso 1 1 calc R U . . .
C47 C -0.1575(6) 0.4044(4) 0.0163(5) 0.066(3) Uani 1 1 d . . . . .
C48 C -0.1180(6) 0.4039(4) 0.0759(5) 0.063(2) Uani 1 1 d . . . . .
H48 H -0.1100 0.3731 0.0983 0.076 Uiso 1 1 calc R U . . .
C49 C -0.0886(6) 0.4482(3) 0.1053(5) 0.060(2) Uani 1 1 d . . . . .
H49 H -0.0650 0.4474 0.1488 0.073 Uiso 1 1 calc R U . . .
C50 C -0.2335(9) 0.3553(5) -0.0661(6) 0.098(4) Uani 1 1 d . . . . .
H50A H -0.2007 0.3711 -0.0950 0.147 Uiso 1 1 calc R U . . .
H50B H -0.2862 0.3739 -0.0670 0.147 Uiso 1 1 calc R U . . .
H50C H -0.2464 0.3205 -0.0791 0.147 Uiso 1 1 calc R U . . .
C51 C 0.0853(5) 0.6078(3) 0.3068(3) 0.0404(16) Uani 1 1 d . . . . .
C52 C 0.0705(5) 0.7321(3) 0.4205(3) 0.0420(17) Uani 1 1 d . . . . .
C53 C 0.2815(6) 0.6763(3) 0.3118(4) 0.053(2) Uani 1 1 d . . . . .
C54 C 0.3346(5) 0.6453(3) 0.3642(4) 0.053(2) Uani 1 1 d . . . . .
H54A H 0.3684 0.6207 0.3456 0.079 Uiso 1 1 calc R U . . .
H54B H 0.2973 0.6276 0.3882 0.079 Uiso 1 1 calc R U . . .
H54C H 0.3721 0.6677 0.3923 0.079 Uiso 1 1 calc R U . . .
C55 C 0.3394(6) 0.7049(3) 0.2741(4) 0.060(2) Uani 1 1 d . . . . .
H55A H 0.3736 0.7292 0.3015 0.089 Uiso 1 1 calc R U . . .
H55B H 0.3050 0.7226 0.2389 0.089 Uiso 1 1 calc R U . . .
H55C H 0.3766 0.6809 0.2578 0.089 Uiso 1 1 calc R U . . .
C56 C 0.2441(6) 0.7752(3) 0.3783(5) 0.063(2) Uani 1 1 d . . . . .
C57 C 0.3283(6) 0.7658(4) 0.4231(5) 0.068(3) Uani 1 1 d . . . . .
H57A H 0.3737 0.7622 0.3985 0.103 Uiso 1 1 calc R U . . .
H57B H 0.3240 0.7350 0.4472 0.103 Uiso 1 1 calc R U . . .
H57C H 0.3407 0.7943 0.4521 0.103 Uiso 1 1 calc R U . . .
C58 C 0.2531(6) 0.8214(3) 0.3400(5) 0.065(2) Uani 1 1 d . . . . .
H58A H 0.2673 0.8502 0.3682 0.097 Uiso 1 1 calc R U . . .
H58B H 0.1999 0.8279 0.3116 0.097 Uiso 1 1 calc R U . . .
H58C H 0.2980 0.8161 0.3154 0.097 Uiso 1 1 calc R U . . .
C59 C 0.1419(6) 0.7423(3) 0.2605(4) 0.0523(19) Uani 1 1 d . . . . .
H59A H 0.1790 0.7686 0.2466 0.063 Uiso 1 1 calc R U . . .
C60 C 0.1218(6) 0.7039(4) 0.2069(4) 0.063(2) Uani 1 1 d . . . . .
H60A H 0.1741 0.6878 0.1999 0.094 Uiso 1 1 calc R U . . .
H60B H 0.0952 0.7211 0.1684 0.094 Uiso 1 1 calc R U . . .
H60C H 0.0833 0.6784 0.2182 0.094 Uiso 1 1 calc R U . . .
C61 C 0.0605(6) 0.7685(4) 0.2705(5) 0.069(3) Uani 1 1 d . . . . .
H61A H 0.0359 0.7865 0.2322 0.103 Uiso 1 1 calc R U . . .
H61B H 0.0732 0.7923 0.3055 0.103 Uiso 1 1 calc R U . . .
H61C H 0.0204 0.7432 0.2803 0.103 Uiso 1 1 calc R U . . .
C62 C 0.0433(6) 0.5550(3) 0.4603(4) 0.060(2) Uani 1 1 d . . . . .
H62 H 0.0170 0.5423 0.4960 0.072 Uiso 1 1 calc R U . . .
C63 C 0.1406(7) 0.5445(4) 0.4781(5) 0.075(3) Uani 1 1 d . . . . .
H63A H 0.1498 0.5090 0.4890 0.113 Uiso 1 1 calc R U . . .
H63B H 0.1647 0.5654 0.5142 0.113 Uiso 1 1 calc R U . . .
H63C H 0.1679 0.5527 0.4422 0.113 Uiso 1 1 calc R U . . .
C64 C 0.0067(8) 0.5245(3) 0.4033(5) 0.079(3) Uani 1 1 d . . . . .
H64A H 0.0211 0.5403 0.3655 0.118 Uiso 1 1 calc R U . . .
H64B H -0.0547 0.5229 0.3996 0.118 Uiso 1 1 calc R U . . .
H64C H 0.0300 0.4904 0.4076 0.118 Uiso 1 1 calc R U . . .
C65 C -0.0891(6) 0.6269(3) 0.4153(5) 0.058(2) Uani 1 1 d . . . . .
H65 H -0.0927 0.6060 0.3764 0.069 Uiso 1 1 calc R U . . .
C66 C -0.1537(7) 0.6040(4) 0.4527(5) 0.077(3) Uani 1 1 d . . . . .
H66A H -0.1609 0.6267 0.4871 0.115 Uiso 1 1 calc R U . . .
H66B H -0.1333 0.5713 0.4699 0.115 Uiso 1 1 calc R U . . .
H66C H -0.2080 0.5996 0.4246 0.115 Uiso 1 1 calc R U . . .
C67 C -0.1172(6) 0.6793(3) 0.3931(5) 0.060(2) Uani 1 1 d . . . . .
H67A H -0.1730 0.6774 0.3664 0.089 Uiso 1 1 calc R U . . .
H67B H -0.0767 0.6935 0.3690 0.089 Uiso 1 1 calc R U . . .
H67C H -0.1202 0.7006 0.4296 0.089 Uiso 1 1 calc R U . . .
C68 C 0.0174(6) 0.6387(3) 0.5383(4) 0.059(2) Uani 1 1 d . . . . .
H68 H -0.0357 0.6224 0.5461 0.070 Uiso 1 1 calc R U . . .
C69 C 0.0043(6) 0.6952(3) 0.5489(4) 0.054(2) Uani 1 1 d . . . . .
H69A H -0.0007 0.7010 0.5929 0.082 Uiso 1 1 calc R U . . .
H69B H -0.0473 0.7065 0.5215 0.082 Uiso 1 1 calc R U . . .
H69C H 0.0526 0.7141 0.5390 0.082 Uiso 1 1 calc R U . . .
C70 C 0.0851(6) 0.6173(4) 0.5876(4) 0.065(2) Uani 1 1 d . . . . .
H70A H 0.1397 0.6316 0.5828 0.098 Uiso 1 1 calc R U . . .
H70B H 0.0868 0.5807 0.5828 0.098 Uiso 1 1 calc R U . . .
H70C H 0.0732 0.6256 0.6294 0.098 Uiso 1 1 calc R U . . .
C71 C 0.4531(6) 0.3183(4) 0.5236(5) 0.069(3) Uani 1 1 d . . . . .
H71 H 0.4727 0.3070 0.4870 0.082 Uiso 1 1 calc R U . . .
C72 C 0.4336(6) 0.3670(4) 0.5294(5) 0.070(3) Uani 1 1 d . . . . .
H72 H 0.4372 0.3896 0.4959 0.084 Uiso 1 1 calc R U . . .
C73 C 0.4085(7) 0.3847(4) 0.5829(6) 0.073(3) Uani 1 1 d . . . . .
H73 H 0.3983 0.4195 0.5876 0.088 Uiso 1 1 calc R U . . .
C74 C 0.3982(7) 0.3514(4) 0.6299(5) 0.074(3) Uani 1 1 d . . . . .
H74 H 0.3786 0.3630 0.6664 0.089 Uiso 1 1 calc R U . . .
C75 C 0.4165(7) 0.3011(4) 0.6237(5) 0.071(3) Uani 1 1 d . . . . .
H75 H 0.4095 0.2781 0.6560 0.085 Uiso 1 1 calc R U . . .
C76 C 0.4444(6) 0.2842(4) 0.5718(5) 0.062(2) Uani 1 1 d . . . . .
H76 H 0.4579 0.2497 0.5680 0.074 Uiso 1 1 calc R U . . .
C77 C -0.4161(9) 0.8677(5) 0.6020(8) 0.097(5) Uani 1 1 d . . . . .
H77 H -0.3771 0.8903 0.5886 0.116 Uiso 1 1 calc R U . . .
C78 C -0.4225(7) 0.8651(4) 0.6616(6) 0.077(3) Uani 1 1 d . . . . .
H78 H -0.3885 0.8866 0.6907 0.093 Uiso 1 1 calc R U . . .
C79 C -0.4763(7) 0.8327(4) 0.6834(6) 0.076(3) Uani 1 1 d . . . . .
H79 H -0.4794 0.8315 0.7269 0.092 Uiso 1 1 calc R U . . .
C80 C -0.5246(8) 0.8027(4) 0.6423(7) 0.088(4) Uani 1 1 d . . . . .
H80 H -0.5621 0.7800 0.6573 0.105 Uiso 1 1 calc R U . . .
C81 C -0.5218(9) 0.8035(5) 0.5789(7) 0.098(4) Uani 1 1 d . . . . .
H81 H -0.5563 0.7818 0.5504 0.117 Uiso 1 1 calc R U . . .
C82 C -0.4668(13) 0.8371(7) 0.5582(6) 0.116(6) Uani 1 1 d . . . . .
H82 H -0.4636 0.8393 0.5147 0.140 Uiso 1 1 calc R U . . .
C83 C -0.1806(8) 0.5020(6) 0.2501(7) 0.096(4) Uani 1 1 d . . . . .
H83 H -0.1452 0.5146 0.2228 0.115 Uiso 1 1 calc R U . . .
C84 C -0.2192(11) 0.5345(6) 0.2872(10) 0.132(7) Uani 1 1 d . . . . .
H84 H -0.2122 0.5699 0.2861 0.159 Uiso 1 1 calc R U . . .
C85 C -0.2732(8) 0.5094(9) 0.3296(8) 0.127(7) Uani 1 1 d . . . . .
H85 H -0.3008 0.5281 0.3575 0.153 Uiso 1 1 calc R U . . .
C86 C -0.2796(9) 0.4580(8) 0.3249(7) 0.111(5) Uani 1 1 d . . . . .
H86 H -0.3127 0.4407 0.3505 0.134 Uiso 1 1 calc R U . . .
C87 C -0.2426(9) 0.4322(6) 0.2873(7) 0.098(4) Uani 1 1 d . . . . .
H87 H -0.2510 0.3969 0.2841 0.118 Uiso 1 1 calc R U . . .
C88 C -0.1944(8) 0.4539(6) 0.2539(7) 0.097(4) Uani 1 1 d . . . . .
H88 H -0.1656 0.4326 0.2294 0.116 Uiso 1 1 calc R U . . .
C89 C 0.5175(10) 0.4860(4) 0.4429(5) 0.088(4) Uani 1 1 d . . . . .
H89 H 0.5291 0.4757 0.4032 0.105 Uiso 1 1 calc R U . . .
C90 C 0.4429(9) 0.5062(4) 0.4469(5) 0.079(3) Uani 1 1 d . . . . .
H90 H 0.4026 0.5113 0.4097 0.095 Uiso 1 1 calc R U . . .
C91 C 0.4234(9) 0.5200(4) 0.5050(6) 0.087(3) Uani 1 1 d . . . . .
H91 H 0.3695 0.5333 0.5079 0.104 Uiso 1 1 calc R U . . .
N1 N -0.0625(4) 0.5392(2) 0.1049(3) 0.0510(17) Uani 1 1 d . . . . .
O1 O 0.3856(4) 0.3232(2) 0.1255(3) 0.0578(15) Uani 1 1 d . . . . .
O2 O 0.2769(3) 0.46763(18) 0.2478(2) 0.0423(11) Uani 1 1 d . . . . .
O3 O 0.2204(3) 0.44478(18) 0.1512(2) 0.0424(11) Uani 1 1 d . . . . .
O4 O -0.1895(5) 0.3559(3) -0.0085(4) 0.086(2) Uani 1 1 d . . . . .
O5 O -0.1696(4) 0.7288(2) 0.0166(3) 0.0621(16) Uani 1 1 d . . . . .
O6 O 0.1469(3) 0.60454(18) 0.3517(2) 0.0404(11) Uani 1 1 d . . . . .
O7 O 0.0304(3) 0.64165(19) 0.3072(2) 0.0422(11) Uani 1 1 d . . . . .
O8 O 0.0471(4) 0.7711(2) 0.4340(3) 0.0507(13) Uani 1 1 d . . . . .
P1 P 0.42192(13) 0.46728(7) 0.16051(9) 0.0407(4) Uani 1 1 d . . . . .
P2 P 0.24911(14) 0.34951(8) 0.24989(10) 0.0468(5) Uani 1 1 d . . . . .
P3 P 0.19839(13) 0.71687(7) 0.33726(10) 0.0447(5) Uani 1 1 d . . . . .
P4 P 0.02231(14) 0.62429(7) 0.45461(10) 0.0450(5) Uani 1 1 d . . . . .
Ru1 Ru 0.11012(4) 0.67227(2) 0.39723(3) 0.03846(18) Uani 1 1 d . . . . .
Ru2 Ru 0.33757(4) 0.40645(2) 0.20358(3) 0.03911(18) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.329(10) . ?
C1 Ru1 2.004(8) 3_666 ?
C2 C3 1.485(10) . ?
C3 C4 1.389(10) . ?
C3 C8 1.393(11) . ?
C4 C5 1.389(10) . ?
C5 C6 1.388(11) . ?
C6 C7 1.395(10) . ?
C6 C9 1.487(10) . ?
C7 C8 1.394(11) . ?
C9 C10 1.339(10) . ?
C10 Ru2 2.014(7) . ?
C11 O1 1.190(10) . ?
C11 Ru2 1.777(8) . ?
C12 C13 1.531(13) . ?
C12 C14 1.547(12) . ?
C12 P1 1.866(8) . ?
C15 C17 1.534(12) . ?
C15 C16 1.535(12) . ?
C15 P1 1.867(8) . ?
C18 C20 1.541(11) . ?
C18 C19 1.542(11) . ?
C18 P1 1.850(8) . ?
C21 C23 1.519(14) . ?
C21 C22 1.539(14) . ?
C21 P2 1.876(9) . ?
C24 C25 1.523(13) . ?
C24 C26 1.524(12) . ?
C24 P2 1.863(9) . ?
C27 C28 1.517(13) . ?
C27 C29 1.527(12) . ?
C27 P2 1.861(9) . ?
C30 O2 1.282(9) . ?
C30 O3 1.286(8) . ?
C30 C31 1.471(10) . ?
C30 Ru2 2.592(7) . ?
C31 C32 1.401(10) . ?
C31 C36 1.404(10) . ?
C32 C33 1.376(10) . ?
C33 C34 1.388(10) . ?
C33 C51 1.499(10) . ?
C34 C35 1.390(10) . ?
C35 C36 1.397(11) . ?
C35 N1 1.437(9) . ?
C37 C38 1.368(12) . ?
C37 C42 1.392(12) . ?
C37 N1 1.409(10) . ?
C38 C39 1.398(12) . ?
C39 C40 1.404(12) . ?
C40 C41 1.359(12) . ?
C40 O5 1.362(9) . ?
C41 C42 1.397(12) . ?
C43 O5 1.418(10) . ?
C44 C45 1.389(11) . ?
C44 C49 1.393(12) . ?
C44 N1 1.425(10) . ?
C45 C46 1.464(14) . ?
C46 C47 1.346(14) . ?
C47 C48 1.334(14) . ?
C47 O4 1.458(12) . ?
C48 C49 1.381(12) . ?
C50 O4 1.320(13) . ?
C51 O7 1.263(9) . ?
C51 O6 1.264(9) . ?
C51 Ru1 2.577(7) . ?
C52 O8 1.158(9) . ?
C52 Ru1 1.819(8) . ?
C53 C54 1.537(11) . ?
C53 C55 1.541(12) . ?
C53 P3 1.876(9) . ?
C56 C58 1.501(12) . ?
C56 C57 1.544(13) . ?
C56 P3 1.874(9) . ?
C59 C61 1.532(12) . ?
C59 C60 1.536(12) . ?
C59 P3 1.873(9) . ?
C62 C64 1.508(13) . ?
C62 C63 1.574(15) . ?
C62 P4 1.873(9) . ?
C65 C67 1.516(12) . ?
C65 C66 1.549(13) . ?
C65 P4 1.848(9) . ?
C68 C70 1.497(13) . ?
C68 C69 1.540(12) . ?
C68 P4 1.864(9) . ?
C71 C72 1.344(14) . ?
C71 C76 1.406(14) . ?
C72 C73 1.372(15) . ?
C73 C74 1.379(15) . ?
C74 C75 1.382(15) . ?
C75 C76 1.354(14) . ?
C77 C78 1.312(18) . ?
C77 C82 1.40(2) . ?
C78 C79 1.362(16) . ?
C79 C80 1.339(17) . ?
C80 C81 1.377(19) . ?
C81 C82 1.39(2) . ?
C83 C88 1.304(18) . ?
C83 C84 1.40(2) . ?
C84 C85 1.52(3) . ?
C85 C86 1.37(2) . ?
C86 C87 1.29(2) . ?
C87 C88 1.285(18) . ?
C89 C90 1.333(17) . ?
C89 C91 1.352(18) 3_666 ?
C90 C91 1.395(16) . ?
C91 C89 1.352(18) 3_666 ?
O2 Ru2 2.201(5) . ?
O3 Ru2 2.267(5) . ?
O6 Ru1 2.183(5) . ?
O7 Ru1 2.286(5) . ?
P1 Ru2 2.402(2) . ?
P2 Ru2 2.413(2) . ?
P3 Ru1 2.398(2) . ?
P4 Ru1 2.404(2) . ?
Ru1 C1 2.004(8) 3_666 ?

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
C2 C1 Ru1 137.1(6) . 3_666 ?
C1 C2 C3 124.8(7) . . ?
C4 C3 C8 116.4(7) . . ?
C4 C3 C2 121.3(7) . . ?
C8 C3 C2 122.3(7) . . ?
C5 C4 C3 122.0(7) . . ?
C6 C5 C4 121.6(7) . . ?
C5 C6 C7 116.9(7) . . ?
C5 C6 C9 118.9(7) . . ?
C7 C6 C9 124.1(7) . . ?
C8 C7 C6 121.3(7) . . ?
C3 C8 C7 121.8(7) . . ?
C10 C9 C6 128.4(7) . . ?
C9 C10 Ru2 132.7(6) . . ?
O1 C11 Ru2 179.4(8) . . ?
C13 C12 C14 109.7(7) . . ?
C13 C12 P1 111.8(6) . . ?
C14 C12 P1 117.7(6) . . ?
C17 C15 C16 110.4(7) . . ?
C17 C15 P1 115.3(6) . . ?
C16 C15 P1 110.1(6) . . ?
C20 C18 C19 110.3(7) . . ?
C20 C18 P1 114.0(5) . . ?
C19 C18 P1 116.8(6) . . ?
C23 C21 C22 110.9(9) . . ?
C23 C21 P2 118.4(7) . . ?
C22 C21 P2 111.1(7) . . ?
C25 C24 C26 107.9(8) . . ?
C25 C24 P2 111.2(6) . . ?
C26 C24 P2 115.7(6) . . ?
C28 C27 C29 110.9(8) . . ?
C28 C27 P2 116.0(6) . . ?
C29 C27 P2 115.7(7) . . ?
O2 C30 O3 118.9(7) . . ?
O2 C30 C31 120.4(6) . . ?
O3 C30 C31 120.7(6) . . ?
O2 C30 Ru2 58.1(4) . . ?
O3 C30 Ru2 61.0(4) . . ?
C31 C30 Ru2 174.9(6) . . ?
C32 C31 C36 120.0(7) . . ?
C32 C31 C30 120.4(6) . . ?
C36 C31 C30 119.6(7) . . ?
C33 C32 C31 119.5(7) . . ?
C32 C33 C34 120.9(7) . . ?
C32 C33 C51 118.6(7) . . ?
C34 C33 C51 120.4(7) . . ?
C33 C34 C35 120.2(7) . . ?
C34 C35 C36 119.6(7) . . ?
C34 C35 N1 118.8(7) . . ?
C36 C35 N1 121.5(7) . . ?
C35 C36 C31 119.6(7) . . ?
C38 C37 C42 119.8(8) . . ?
C38 C37 N1 120.3(8) . . ?
C42 C37 N1 119.9(8) . . ?
C37 C38 C39 119.7(8) . . ?
C38 C39 C40 120.7(8) . . ?
C41 C40 O5 126.2(8) . . ?
C41 C40 C39 118.8(8) . . ?
O5 C40 C39 115.0(7) . . ?
C40 C41 C42 121.0(8) . . ?
C37 C42 C41 120.0(8) . . ?
C45 C44 C49 117.5(8) . . ?
C45 C44 N1 121.0(8) . . ?
C49 C44 N1 121.5(7) . . ?
C44 C45 C46 118.2(9) . . ?
C47 C46 C45 120.3(8) . . ?
C48 C47 C46 121.0(9) . . ?
C48 C47 O4 115.2(9) . . ?
C46 C47 O4 123.7(9) . . ?
C47 C48 C49 120.2(10) . . ?
C48 C49 C44 122.4(9) . . ?
O7 C51 O6 120.1(6) . . ?
O7 C51 C33 121.8(6) . . ?
O6 C51 C33 118.1(6) . . ?
O7 C51 Ru1 62.5(4) . . ?
O6 C51 Ru1 57.8(4) . . ?
C33 C51 Ru1 173.3(6) . . ?
O8 C52 Ru1 177.5(7) . . ?
C54 C53 C55 110.1(7) . . ?
C54 C53 P3 115.3(6) . . ?
C55 C53 P3 113.6(6) . . ?
C58 C56 C57 108.6(8) . . ?
C58 C56 P3 119.0(7) . . ?
C57 C56 P3 113.1(6) . . ?
C61 C59 C60 109.5(8) . . ?
C61 C59 P3 109.6(6) . . ?
C60 C59 P3 115.6(6) . . ?
C64 C62 C63 109.5(9) . . ?
C64 C62 P4 115.9(7) . . ?
C63 C62 P4 110.6(6) . . ?
C67 C65 C66 109.5(8) . . ?
C67 C65 P4 113.1(6) . . ?
C66 C65 P4 115.7(7) . . ?
C70 C68 C69 111.6(8) . . ?
C70 C68 P4 117.5(7) . . ?
C69 C68 P4 112.0(6) . . ?
C72 C71 C76 119.8(10) . . ?
C71 C72 C73 121.1(10) . . ?
C72 C73 C74 119.4(10) . . ?
C73 C74 C75 119.7(11) . . ?
C76 C75 C74 120.5(10) . . ?
C75 C76 C71 119.3(10) . . ?
C78 C77 C82 119.8(13) . . ?
C77 C78 C79 122.4(13) . . ?
C80 C79 C78 118.7(12) . . ?
C79 C80 C81 122.2(13) . . ?
C80 C81 C82 117.7(13) . . ?
C81 C82 C77 119.1(12) . . ?
C88 C83 C84 118.2(15) . . ?
C83 C84 C85 115.6(14) . . ?
C86 C85 C84 115.8(14) . . ?
C87 C86 C85 122.7(16) . . ?
C88 C87 C86 120.4(17) . . ?
C87 C88 C83 127.1(17) . . ?
C90 C89 C91 120.4(12) . 3_666 ?
C89 C90 C91 120.7(12) . . ?
C89 C91 C90 118.8(13) 3_666 . ?
C37 N1 C44 122.4(6) . . ?
C37 N1 C35 116.7(6) . . ?
C44 N1 C35 119.9(6) . . ?
C30 O2 Ru2 92.3(4) . . ?
C30 O3 Ru2 89.2(4) . . ?
C50 O4 C47 117.0(9) . . ?
C40 O5 C43 116.9(7) . . ?
C51 O6 Ru1 92.9(4) . . ?
C51 O7 Ru1 88.2(4) . . ?
C18 P1 C12 110.3(4) . . ?
C18 P1 C15 102.1(4) . . ?
C12 P1 C15 101.7(4) . . ?
C18 P1 Ru2 110.4(3) . . ?
C12 P1 Ru2 115.2(3) . . ?
C15 P1 Ru2 116.0(3) . . ?
C27 P2 C24 102.5(4) . . ?
C27 P2 C21 108.0(5) . . ?
C24 P2 C21 102.3(4) . . ?
C27 P2 Ru2 113.8(3) . . ?
C24 P2 Ru2 113.9(3) . . ?
C21 P2 Ru2 115.0(3) . . ?
C59 P3 C56 102.1(4) . . ?
C59 P3 C53 102.1(4) . . ?
C56 P3 C53 111.9(4) . . ?
C59 P3 Ru1 114.5(3) . . ?
C56 P3 Ru1 112.1(3) . . ?
C53 P3 Ru1 113.3(3) . . ?
C65 P4 C68 103.7(4) . . ?
C65 P4 C62 102.5(4) . . ?
C68 P4 C62 100.2(4) . . ?
C65 P4 Ru1 110.8(3) . . ?
C68 P4 Ru1 121.3(3) . . ?
C62 P4 Ru1 116.1(3) . . ?
C52 Ru1 C1 93.1(3) . 3_666 ?
C52 Ru1 O6 169.4(2) . . ?
C1 Ru1 O6 96.5(2) 3_666 . ?
C52 Ru1 O7 112.0(3) . . ?
C1 Ru1 O7 154.9(2) 3_666 . ?
O6 Ru1 O7 58.63(18) . . ?
C52 Ru1 P3 89.2(2) . . ?
C1 Ru1 P3 90.9(2) 3_666 . ?
O6 Ru1 P3 86.11(14) . . ?
O7 Ru1 P3 90.85(14) . . ?
C52 Ru1 P4 93.2(2) . . ?
C1 Ru1 P4 89.8(2) 3_666 . ?
O6 Ru1 P4 91.40(14) . . ?
O7 Ru1 P4 87.46(14) . . ?
P3 Ru1 P4 177.46(7) . . ?
C52 Ru1 C51 140.9(3) . . ?
C1 Ru1 C51 125.8(3) 3_666 . ?
O6 Ru1 C51 29.3(2) . . ?
O7 Ru1 C51 29.3(2) . . ?
P3 Ru1 C51 87.04(17) . . ?
P4 Ru1 C51 90.56(17) . . ?
C11 Ru2 C10 89.0(3) . . ?
C11 Ru2 O2 168.3(3) . . ?
C10 Ru2 O2 102.3(3) . . ?
C11 Ru2 O3 109.4(3) . . ?
C10 Ru2 O3 161.6(2) . . ?
O2 Ru2 O3 59.32(17) . . ?
C11 Ru2 P1 93.4(3) . . ?
C10 Ru2 P1 90.3(2) . . ?
O2 Ru2 P1 89.67(15) . . ?
O3 Ru2 P1 88.97(14) . . ?
C11 Ru2 P2 90.0(3) . . ?
C10 Ru2 P2 90.3(2) . . ?
O2 Ru2 P2 86.84(15) . . ?
O3 Ru2 P2 89.34(14) . . ?
P1 Ru2 P2 176.51(8) . . ?
C11 Ru2 C30 139.0(3) . . ?
C10 Ru2 C30 131.9(3) . . ?
O2 Ru2 C30 29.6(2) . . ?
O3 Ru2 C30 29.75(19) . . ?
P1 Ru2 C30 90.41(18) . . ?
P2 Ru2 C30 86.60(18) . . ?

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 C1 C2 C3 -175.2(6) 3_666 . . . ?
C1 C2 C3 C4 152.0(8) . . . . ?
C1 C2 C3 C8 -26.6(12) . . . . ?
C8 C3 C4 C5 1.4(12) . . . . ?
C2 C3 C4 C5 -177.3(7) . . . . ?
C3 C4 C5 C6 -0.1(12) . . . . ?
C4 C5 C6 C7 -1.1(12) . . . . ?
C4 C5 C6 C9 -177.8(7) . . . . ?
C5 C6 C7 C8 1.0(12) . . . . ?
C9 C6 C7 C8 177.5(8) . . . . ?
C4 C3 C8 C7 -1.5(12) . . . . ?
C2 C3 C8 C7 177.2(8) . . . . ?
C6 C7 C8 C3 0.3(13) . . . . ?
C5 C6 C9 C10 -174.2(8) . . . . ?
C7 C6 C9 C10 9.4(13) . . . . ?
C6 C9 C10 Ru2 -176.5(6) . . . . ?
O2 C30 C31 C32 7.6(11) . . . . ?
O3 C30 C31 C32 -173.9(7) . . . . ?
O2 C30 C31 C36 -172.4(7) . . . . ?
O3 C30 C31 C36 6.1(11) . . . . ?
C36 C31 C32 C33 -1.9(12) . . . . ?
C30 C31 C32 C33 178.1(7) . . . . ?
C31 C32 C33 C34 1.2(12) . . . . ?
C31 C32 C33 C51 -177.4(7) . . . . ?
C32 C33 C34 C35 1.6(12) . . . . ?
C51 C33 C34 C35 -179.8(7) . . . . ?
C33 C34 C35 C36 -3.7(12) . . . . ?
C33 C34 C35 N1 179.7(7) . . . . ?
C34 C35 C36 C31 3.0(12) . . . . ?
N1 C35 C36 C31 179.5(7) . . . . ?
C32 C31 C36 C35 -0.2(12) . . . . ?
C30 C31 C36 C35 179.8(7) . . . . ?
C42 C37 C38 C39 1.0(14) . . . . ?
N1 C37 C38 C39 -178.8(9) . . . . ?
C37 C38 C39 C40 -1.8(16) . . . . ?
C38 C39 C40 C41 1.7(15) . . . . ?
C38 C39 C40 O5 -179.9(9) . . . . ?
O5 C40 C41 C42 -179.0(8) . . . . ?
C39 C40 C41 C42 -0.8(14) . . . . ?
C38 C37 C42 C41 -0.1(13) . . . . ?
N1 C37 C42 C41 179.7(8) . . . . ?
C40 C41 C42 C37 0.0(13) . . . . ?
C49 C44 C45 C46 2.1(12) . . . . ?
N1 C44 C45 C46 -175.7(8) . . . . ?
C44 C45 C46 C47 -2.1(13) . . . . ?
C45 C46 C47 C48 -1.6(15) . . . . ?
C45 C46 C47 O4 -179.3(8) . . . . ?
C46 C47 C48 C49 5.2(16) . . . . ?
O4 C47 C48 C49 -176.9(9) . . . . ?
C47 C48 C49 C44 -5.3(15) . . . . ?
C45 C44 C49 C48 1.5(14) . . . . ?
N1 C44 C49 C48 179.3(8) . . . . ?
C32 C33 C51 O7 173.9(7) . . . . ?
C34 C33 C51 O7 -4.8(11) . . . . ?
C32 C33 C51 O6 -4.5(10) . . . . ?
C34 C33 C51 O6 176.9(7) . . . . ?
C76 C71 C72 C73 2.7(16) . . . . ?
C71 C72 C73 C74 -4.0(17) . . . . ?
C72 C73 C74 C75 2.6(17) . . . . ?
C73 C74 C75 C76 -0.1(17) . . . . ?
C74 C75 C76 C71 -1.1(15) . . . . ?
C72 C71 C76 C75 -0.2(15) . . . . ?
C82 C77 C78 C79 1.3(18) . . . . ?
C77 C78 C79 C80 -0.4(17) . . . . ?
C78 C79 C80 C81 -0.1(18) . . . . ?
C79 C80 C81 C82 -0.3(18) . . . . ?
C80 C81 C82 C77 1.1(18) . . . . ?
C78 C77 C82 C81 -1.6(19) . . . . ?
C88 C83 C84 C85 1(2) . . . . ?
C83 C84 C85 C86 -2(2) . . . . ?
C84 C85 C86 C87 0(2) . . . . ?
C85 C86 C87 C88 3(2) . . . . ?
C86 C87 C88 C83 -4(2) . . . . ?
C84 C83 C88 C87 2(2) . . . . ?
C91 C89 C90 C91 -2(2) 3_666 . . . ?
C89 C90 C91 C89 2(2) . . . 3_666 ?
C38 C37 N1 C44 -111.4(10) . . . . ?
C42 C37 N1 C44 68.8(11) . . . . ?
C38 C37 N1 C35 57.4(11) . . . . ?
C42 C37 N1 C35 -122.4(9) . . . . ?
C45 C44 N1 C37 20.7(12) . . . . ?
C49 C44 N1 C37 -157.0(8) . . . . ?
C45 C44 N1 C35 -147.8(8) . . . . ?
C49 C44 N1 C35 34.6(12) . . . . ?
C34 C35 N1 C37 43.7(11) . . . . ?
C36 C35 N1 C37 -132.9(8) . . . . ?
C34 C35 N1 C44 -147.3(8) . . . . ?
C36 C35 N1 C44 36.2(12) . . . . ?
O3 C30 O2 Ru2 -4.2(7) . . . . ?
C31 C30 O2 Ru2 174.3(6) . . . . ?
O2 C30 O3 Ru2 4.1(7) . . . . ?
C31 C30 O3 Ru2 -174.5(7) . . . . ?
C48 C47 O4 C50 175.9(11) . . . . ?
C46 C47 O4 C50 -6.2(16) . . . . ?
C41 C40 O5 C43 -11.7(13) . . . . ?
C39 C40 O5 C43 170.0(8) . . . . ?
O7 C51 O6 Ru1 -4.5(7) . . . . ?
C33 C51 O6 Ru1 173.9(6) . . . . ?
O6 C51 O7 Ru1 4.3(7) . . . . ?
C33 C51 O7 Ru1 -174.0(6) . . . . ?
C20 C18 P1 C12 76.2(7) . . . . ?
C19 C18 P1 C12 -54.3(7) . . . . ?
C20 C18 P1 C15 -176.3(6) . . . . ?
C19 C18 P1 C15 53.2(7) . . . . ?
C20 C18 P1 Ru2 -52.3(7) . . . . ?
C19 C18 P1 Ru2 177.2(6) . . . . ?
C13 C12 P1 C18 -52.1(7) . . . . ?
C14 C12 P1 C18 76.2(7) . . . . ?
C13 C12 P1 C15 -159.9(6) . . . . ?
C14 C12 P1 C15 -31.6(7) . . . . ?
C13 C12 P1 Ru2 73.7(6) . . . . ?
C14 C12 P1 Ru2 -158.0(6) . . . . ?
C17 C15 P1 C18 48.5(7) . . . . ?
C16 C15 P1 C18 174.2(6) . . . . ?
C17 C15 P1 C12 162.6(6) . . . . ?
C16 C15 P1 C12 -71.8(7) . . . . ?
C17 C15 P1 Ru2 -71.6(7) . . . . ?
C16 C15 P1 Ru2 54.0(7) . . . . ?
C28 C27 P2 C24 -173.6(7) . . . . ?
C29 C27 P2 C24 54.0(8) . . . . ?
C28 C27 P2 C21 78.8(8) . . . . ?
C29 C27 P2 C21 -53.6(8) . . . . ?
C28 C27 P2 Ru2 -50.1(8) . . . . ?
C29 C27 P2 Ru2 177.5(6) . . . . ?
C25 C24 P2 C27 170.5(6) . . . . ?
C26 C24 P2 C27 47.0(7) . . . . ?
C25 C24 P2 C21 -77.6(7) . . . . ?
C26 C24 P2 C21 158.9(7) . . . . ?
C25 C24 P2 Ru2 47.1(7) . . . . ?
C26 C24 P2 Ru2 -76.4(7) . . . . ?
C23 C21 P2 C27 84.7(10) . . . . ?
C22 C21 P2 C27 -45.3(8) . . . . ?
C23 C21 P2 C24 -22.9(11) . . . . ?
C22 C21 P2 C24 -153.0(7) . . . . ?
C23 C21 P2 Ru2 -146.9(9) . . . . ?
C22 C21 P2 Ru2 83.0(7) . . . . ?
C61 C59 P3 C56 -75.1(7) . . . . ?
C60 C59 P3 C56 160.5(7) . . . . ?
C61 C59 P3 C53 169.0(7) . . . . ?
C60 C59 P3 C53 44.6(7) . . . . ?
C61 C59 P3 Ru1 46.2(7) . . . . ?
C60 C59 P3 Ru1 -78.2(7) . . . . ?
C58 C56 P3 C59 -19.6(9) . . . . ?
C57 C56 P3 C59 -148.9(7) . . . . ?
C58 C56 P3 C53 89.0(8) . . . . ?
C57 C56 P3 C53 -40.3(8) . . . . ?
C58 C56 P3 Ru1 -142.5(7) . . . . ?
C57 C56 P3 Ru1 88.2(7) . . . . ?
C54 C53 P3 C59 -174.3(6) . . . . ?
C55 C53 P3 C59 57.3(7) . . . . ?
C54 C53 P3 C56 77.2(7) . . . . ?
C55 C53 P3 C56 -51.2(8) . . . . ?
C54 C53 P3 Ru1 -50.6(7) . . . . ?
C55 C53 P3 Ru1 -179.1(5) . . . . ?
C67 C65 P4 C68 87.7(7) . . . . ?
C66 C65 P4 C68 -39.8(8) . . . . ?
C67 C65 P4 C62 -168.5(7) . . . . ?
C66 C65 P4 C62 64.1(8) . . . . ?
C67 C65 P4 Ru1 -43.9(7) . . . . ?
C66 C65 P4 Ru1 -171.4(7) . . . . ?
C70 C68 P4 C65 151.9(7) . . . . ?
C69 C68 P4 C65 -76.9(7) . . . . ?
C70 C68 P4 C62 46.3(8) . . . . ?
C69 C68 P4 C62 177.4(7) . . . . ?
C70 C68 P4 Ru1 -83.0(7) . . . . ?
C69 C68 P4 Ru1 48.2(8) . . . . ?
C64 C62 P4 C65 41.3(8) . . . . ?
C63 C62 P4 C65 166.7(7) . . . . ?
C64 C62 P4 C68 147.9(8) . . . . ?
C63 C62 P4 C68 -86.7(7) . . . . ?
C64 C62 P4 Ru1 -79.6(8) . . . . ?
C63 C62 P4 Ru1 45.8(7) . . . . ?

_refine_diff_density_max         2.148
_refine_diff_density_min         -1.922
_refine_diff_density_rms         0.138

####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1450421'
_audit_update_record             
;
2016-01-28 deposited with the CCDC.
2016-03-29 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C140 H218 N2 O16 P8 Ru4, 8(C H2 Cl2)'
_chemical_formula_sum            'C148 H234 Cl16 N2 O16 P8 Ru4'
_chemical_formula_weight         3516.60

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

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

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

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

_cell_length_a                   11.6168(19)
_cell_length_b                   16.816(2)
_cell_length_c                   23.594(4)
_cell_angle_alpha                94.410(12)
_cell_angle_beta                 99.289(12)
_cell_angle_gamma                107.587(12)
_cell_volume                     4297.0(12)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    20819
_cell_measurement_theta_min      1.45
_cell_measurement_theta_max      24.74

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_F_000             1832
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.267
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.724
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8354
_exptl_absorpt_correction_T_max  0.9823
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_reflns_number            58713
_diffrn_reflns_av_unetI/netI     0.1809
_diffrn_reflns_av_R_equivalents  0.2398
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.651
_diffrn_reflns_theta_max         26.028
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16746
_reflns_number_gt                9590
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1375P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16746
_refine_ls_number_parameters     900
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1538
_refine_ls_R_factor_gt           0.0951
_refine_ls_wR_factor_ref         0.2646
_refine_ls_wR_factor_gt          0.2303
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_restrained_S_all      0.981
_refine_ls_shift/su_max          5.603
_refine_ls_shift/su_mean         0.074

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.44531(6) 0.69943(4) 0.23767(3) 0.02912(18) Uani 1 1 d . . . . .
Ru2 Ru -0.10481(6) 0.21045(4) 0.32734(3) 0.03075(19) Uani 1 1 d . . . . .
N1 N -0.1552(6) 0.4312(5) 0.0731(3) 0.0365(16) Uani 1 1 d . . . . .
O1 O 0.6115(6) 0.8379(4) 0.1895(3) 0.0415(14) Uani 1 1 d . . . . .
O2 O 0.2991(5) 0.5945(4) 0.2595(2) 0.0335(13) Uani 1 1 d . . . . .
O3 O 0.2796(5) 0.6174(3) 0.1688(2) 0.0322(12) Uani 1 1 d . . . . .
O4 O -0.2848(5) 0.0583(4) 0.3548(3) 0.0426(15) Uani 1 1 d . . . . .
O5 O 0.0180(5) 0.3200(4) 0.2991(2) 0.0362(13) Uani 1 1 d . . . . .
O6 O -0.1670(5) 0.2654(4) 0.2457(2) 0.0358(13) Uani 1 1 d . . . . .
O7 O -0.1534(7) 0.7087(4) -0.0442(3) 0.0531(17) Uani 1 1 d . . . . .
O8 O -0.4197(7) 0.1001(4) -0.0263(3) 0.0587(19) Uani 1 1 d . . . . .
P1 P 0.33071(19) 0.79203(14) 0.25844(9) 0.0330(5) Uani 1 1 d . . . . .
P2 P 0.5570(2) 0.60478(15) 0.21657(10) 0.0368(5) Uani 1 1 d . . . . .
P3 P -0.1894(2) 0.29942(15) 0.38113(10) 0.0388(5) Uani 1 1 d . . . . .
P4 P -0.0352(2) 0.11930(15) 0.26783(10) 0.0372(5) Uani 1 1 d . . . . .
Cl1 Cl -0.0655(7) 0.0574(4) -0.0629(3) 0.147(2) Uani 1 1 d . . . . .
Cl2 Cl 0.1746(6) 0.1329(3) -0.0917(2) 0.1280(18) Uani 1 1 d . . . . .
Cl3 Cl -0.5596(4) 0.0832(3) 0.1257(2) 0.1016(13) Uani 1 1 d . . . . .
Cl4 Cl -0.5382(4) 0.2585(3) 0.1428(2) 0.0953(12) Uani 1 1 d . . . . .
Cl5 Cl 0.2825(5) -0.0581(4) 0.4851(2) 0.1209(17) Uani 1 1 d . . . . .
Cl6 Cl 0.3912(4) 0.0937(3) 0.4371(3) 0.1218(17) Uani 1 1 d . . . . .
Cl7 Cl 0.4269(9) 0.3792(6) 0.4242(5) 0.235(4) Uani 1 1 d . . . . .
Cl8 Cl 0.3603(12) 0.5323(9) 0.4336(7) 0.300(6) Uani 1 1 d . . . . .
C1 C 0.0106(8) 0.2065(5) 0.4004(4) 0.0370(19) Uani 1 1 d . . . . .
H1 H 0.0858 0.2519 0.4077 0.044 Uiso 1 1 calc R U . . .
C2 C 0.0049(8) 0.1546(5) 0.4404(4) 0.039(2) Uani 1 1 d . . . . .
H2 H -0.0637 0.1045 0.4334 0.047 Uiso 1 1 calc R U . . .
C3 C 0.0965(8) 0.1681(6) 0.4953(4) 0.039(2) Uani 1 1 d . . . . .
C4 C 0.0683(9) 0.1153(6) 0.5375(4) 0.049(2) Uani 1 1 d . . . . .
H4 H -0.0066 0.0697 0.5297 0.059 Uiso 1 1 calc R U . . .
C5 C 0.1469(8) 0.1280(6) 0.5901(4) 0.043(2) Uani 1 1 d . . . . .
H5 H 0.1246 0.0906 0.6176 0.051 Uiso 1 1 calc R U . . .
C6 C 0.2571(8) 0.1931(5) 0.6042(4) 0.0345(18) Uani 1 1 d . . . . .
C7 C 0.2898(10) 0.2429(7) 0.5619(4) 0.060(3) Uani 1 1 d . . . . .
H7 H 0.3671 0.2862 0.5695 0.072 Uiso 1 1 calc R U . . .
C8 C 0.2114(9) 0.2311(7) 0.5081(4) 0.056(3) Uani 1 1 d . . . . .
H8 H 0.2366 0.2663 0.4797 0.067 Uiso 1 1 calc R U . . .
C9 C 0.6667(7) 0.7938(5) 0.3369(3) 0.0329(18) Uani 1 1 d . . . . .
H9 H 0.7010 0.8299 0.3106 0.040 Uiso 1 1 calc R U . . .
C10 C 0.5551(7) 0.7372(5) 0.3163(4) 0.0325(17) Uani 1 1 d . . . . .
H10 H 0.5201 0.7083 0.3456 0.039 Uiso 1 1 calc R U . . .
C11 C 0.5458(7) 0.7812(6) 0.2088(4) 0.036(2) Uani 1 1 d . . . . .
C12 C 0.2474(8) 0.8205(6) 0.1924(4) 0.044(2) Uani 1 1 d . . . . .
H12 H 0.2182 0.8676 0.2058 0.053 Uiso 1 1 calc R U . . .
C13 C 0.1343(8) 0.7503(6) 0.1596(4) 0.046(2) Uani 1 1 d . . . . .
H13A H 0.0956 0.7706 0.1262 0.070 Uiso 1 1 calc R U . . .
H13B H 0.0757 0.7326 0.1853 0.070 Uiso 1 1 calc R U . . .
H13C H 0.1588 0.7023 0.1462 0.070 Uiso 1 1 calc R U . . .
C14 C 0.3355(9) 0.8548(7) 0.1508(4) 0.053(3) Uani 1 1 d . . . . .
H14A H 0.3632 0.8097 0.1351 0.079 Uiso 1 1 calc R U . . .
H14B H 0.4069 0.9011 0.1721 0.079 Uiso 1 1 calc R U . . .
H14C H 0.2922 0.8754 0.1190 0.079 Uiso 1 1 calc R U . . .
C15 C 0.4308(8) 0.8973(6) 0.2986(4) 0.044(2) Uani 1 1 d . . . . .
H15 H 0.5115 0.9092 0.2857 0.053 Uiso 1 1 calc R U . . .
C16 C 0.3850(9) 0.9727(6) 0.2864(5) 0.050(2) Uani 1 1 d . . . . .
H16A H 0.3088 0.9662 0.3010 0.075 Uiso 1 1 calc R U . . .
H16B H 0.3693 0.9748 0.2446 0.075 Uiso 1 1 calc R U . . .
H16C H 0.4479 1.0250 0.3059 0.075 Uiso 1 1 calc R U . . .
C17 C 0.4582(9) 0.8945(6) 0.3635(4) 0.047(2) Uani 1 1 d . . . . .
H17A H 0.5267 0.9446 0.3821 0.071 Uiso 1 1 calc R U . . .
H17B H 0.4805 0.8439 0.3707 0.071 Uiso 1 1 calc R U . . .
H17C H 0.3850 0.8931 0.3796 0.071 Uiso 1 1 calc R U . . .
C18 C 0.2048(8) 0.7457(6) 0.2970(4) 0.044(2) Uani 1 1 d . . . . .
H18 H 0.1480 0.6955 0.2700 0.053 Uiso 1 1 calc R U . . .
C19 C 0.1247(9) 0.8014(7) 0.3087(5) 0.057(3) Uani 1 1 d . . . . .
H19A H 0.0606 0.7714 0.3289 0.086 Uiso 1 1 calc R U . . .
H19B H 0.0863 0.8139 0.2718 0.086 Uiso 1 1 calc R U . . .
H19C H 0.1765 0.8540 0.3329 0.086 Uiso 1 1 calc R U . . .
C20 C 0.2432(9) 0.7111(7) 0.3533(4) 0.049(2) Uani 1 1 d . . . . .
H20A H 0.2802 0.7577 0.3850 0.074 Uiso 1 1 calc R U . . .
H20B H 0.3032 0.6824 0.3476 0.074 Uiso 1 1 calc R U . . .
H20C H 0.1704 0.6711 0.3630 0.074 Uiso 1 1 calc R U . . .
C21 C 0.5072(8) 0.5574(6) 0.1396(4) 0.045(2) Uani 1 1 d . . . . .
H21 H 0.4183 0.5241 0.1354 0.054 Uiso 1 1 calc R U . . .
C22 C 0.5101(9) 0.6215(7) 0.0965(4) 0.051(2) Uani 1 1 d . . . . .
H22A H 0.5957 0.6545 0.0968 0.076 Uiso 1 1 calc R U . . .
H22B H 0.4652 0.6592 0.1077 0.076 Uiso 1 1 calc R U . . .
H22C H 0.4711 0.5917 0.0575 0.076 Uiso 1 1 calc R U . . .
C23 C 0.5687(10) 0.4940(7) 0.1190(5) 0.063(3) Uani 1 1 d . . . . .
H23A H 0.5232 0.4641 0.0808 0.094 Uiso 1 1 calc R U . . .
H23B H 0.5682 0.4535 0.1468 0.094 Uiso 1 1 calc R U . . .
H23C H 0.6539 0.5242 0.1165 0.094 Uiso 1 1 calc R U . . .
C24 C 0.7292(8) 0.6529(6) 0.2341(4) 0.044(2) Uani 1 1 d . . . . .
H24 H 0.7466 0.6915 0.2711 0.052 Uiso 1 1 calc R U . . .
C25 C 0.7799(8) 0.7079(7) 0.1923(4) 0.051(3) Uani 1 1 d . . . . .
H25A H 0.8667 0.7393 0.2080 0.076 Uiso 1 1 calc R U . . .
H25B H 0.7338 0.7475 0.1855 0.076 Uiso 1 1 calc R U . . .
H25C H 0.7730 0.6734 0.1557 0.076 Uiso 1 1 calc R U . . .
C26 C 0.8033(9) 0.5923(7) 0.2478(5) 0.060(3) Uani 1 1 d . . . . .
H26A H 0.7846 0.5489 0.2144 0.091 Uiso 1 1 calc R U . . .
H26B H 0.7808 0.5656 0.2817 0.091 Uiso 1 1 calc R U . . .
H26C H 0.8915 0.6238 0.2560 0.091 Uiso 1 1 calc R U . . .
C27 C 0.5296(9) 0.5103(6) 0.2555(5) 0.056(3) Uani 1 1 d . . . . .
H27 H 0.5924 0.4830 0.2484 0.067 Uiso 1 1 calc R U . . .
C28 C 0.4062(10) 0.4447(7) 0.2368(6) 0.065(3) Uani 1 1 d . . . . .
H28A H 0.4003 0.3990 0.2607 0.097 Uiso 1 1 calc R U . . .
H28B H 0.3956 0.4222 0.1960 0.097 Uiso 1 1 calc R U . . .
H28C H 0.3418 0.4698 0.2413 0.097 Uiso 1 1 calc R U . . .
C29 C 0.5533(12) 0.5379(8) 0.3213(5) 0.070(3) Uani 1 1 d . . . . .
H29A H 0.4917 0.5633 0.3302 0.104 Uiso 1 1 calc R U . . .
H29B H 0.6357 0.5792 0.3337 0.104 Uiso 1 1 calc R U . . .
H29C H 0.5477 0.4888 0.3418 0.104 Uiso 1 1 calc R U . . .
C30 C 0.2380(7) 0.5781(5) 0.2083(3) 0.0283(16) Uani 1 1 d . . . . .
C31 C 0.1171(7) 0.5106(5) 0.1941(3) 0.0325(18) Uani 1 1 d . . . . .
C32 C 0.0374(7) 0.5030(5) 0.1414(3) 0.0342(18) Uani 1 1 d . . . . .
H32 H 0.0616 0.5423 0.1153 0.041 Uiso 1 1 calc R U . . .
C33 C -0.0752(7) 0.4405(5) 0.1261(3) 0.0312(17) Uani 1 1 d . . . . .
C34 C -0.1090(8) 0.3817(5) 0.1649(3) 0.0350(18) Uani 1 1 d . . . . .
H34 H -0.1863 0.3383 0.1557 0.042 Uiso 1 1 calc R U . . .
C35 C -0.0283(7) 0.3874(5) 0.2170(3) 0.0295(17) Uani 1 1 d . . . . .
C36 C 0.0829(7) 0.4527(5) 0.2323(4) 0.0306(17) Uani 1 1 d . . . . .
H36 H 0.1352 0.4578 0.2687 0.037 Uiso 1 1 calc R U . . .
C37 C -0.1572(7) 0.5002(5) 0.0423(3) 0.0346(18) Uani 1 1 d . . . . .
C38 C -0.1338(8) 0.5794(6) 0.0722(4) 0.0371(19) Uani 1 1 d . . . . .
H38 H -0.1173 0.5872 0.1134 0.045 Uiso 1 1 calc R U . . .
C39 C -0.1342(8) 0.6481(6) 0.0421(4) 0.041(2) Uani 1 1 d . . . . .
H39 H -0.1176 0.7022 0.0630 0.049 Uiso 1 1 calc R U . . .
C40 C -0.1589(8) 0.6373(6) -0.0181(4) 0.039(2) Uani 1 1 d . . . . .
C41 C -0.1866(8) 0.5580(6) -0.0477(4) 0.039(2) Uani 1 1 d . . . . .
H41 H -0.2072 0.5501 -0.0888 0.047 Uiso 1 1 calc R U . . .
C42 C -0.1852(8) 0.4893(5) -0.0187(3) 0.0337(18) Uani 1 1 d . . . . .
H42 H -0.2030 0.4352 -0.0400 0.040 Uiso 1 1 calc R U . . .
C43 C -0.1748(12) 0.7012(8) -0.1045(5) 0.067(3) Uani 1 1 d . . . . .
H43A H -0.2530 0.6569 -0.1204 0.100 Uiso 1 1 calc R U . . .
H43B H -0.1078 0.6868 -0.1185 0.100 Uiso 1 1 calc R U . . .
H43C H -0.1788 0.7548 -0.1169 0.100 Uiso 1 1 calc R U . . .
C44 C -0.2251(8) 0.3470(5) 0.0448(3) 0.0362(19) Uani 1 1 d . . . . .
C45 C -0.3511(8) 0.3225(6) 0.0310(4) 0.043(2) Uani 1 1 d . . . . .
H45 H -0.3914 0.3623 0.0391 0.051 Uiso 1 1 calc R U . . .
C46 C -0.4223(8) 0.2410(6) 0.0054(4) 0.045(2) Uani 1 1 d . . . . .
H46 H -0.5093 0.2258 -0.0053 0.054 Uiso 1 1 calc R U . . .
C47 C -0.3614(9) 0.1832(6) -0.0037(4) 0.047(2) Uani 1 1 d . . . . .
C48 C -0.2332(9) 0.2066(6) 0.0104(4) 0.049(2) Uani 1 1 d . . . . .
H48 H -0.1916 0.1673 0.0030 0.059 Uiso 1 1 calc R U . . .
C49 C -0.1681(9) 0.2885(6) 0.0353(4) 0.044(2) Uani 1 1 d . . . . .
H49 H -0.0810 0.3045 0.0461 0.053 Uiso 1 1 calc R U . . .
C50 C -0.5499(12) 0.0752(7) -0.0459(5) 0.073(4) Uani 1 1 d . . . . .
H50A H -0.5688 0.1062 -0.0778 0.109 Uiso 1 1 calc R U . . .
H50B H -0.5887 0.0878 -0.0139 0.109 Uiso 1 1 calc R U . . .
H50C H -0.5816 0.0146 -0.0595 0.109 Uiso 1 1 calc R U . . .
C51 C -0.0618(8) 0.3209(5) 0.2554(3) 0.0344(18) Uani 1 1 d . . . . .
C52 C -0.2153(7) 0.1190(6) 0.3438(3) 0.0351(19) Uani 1 1 d . . . . .
C53 C -0.3466(9) 0.2938(6) 0.3457(4) 0.046(2) Uani 1 1 d . . . . .
H53 H -0.3823 0.3208 0.3746 0.055 Uiso 1 1 calc R U . . .
C54 C -0.3558(11) 0.3363(8) 0.2923(5) 0.063(3) Uani 1 1 d . . . . .
H54A H -0.3171 0.3134 0.2639 0.094 Uiso 1 1 calc R U . . .
H54B H -0.3136 0.3969 0.3025 0.094 Uiso 1 1 calc R U . . .
H54C H -0.4426 0.3263 0.2756 0.094 Uiso 1 1 calc R U . . .
C55 C -0.4291(8) 0.2017(7) 0.3289(5) 0.053(3) Uani 1 1 d . . . . .
H55A H -0.5156 0.1992 0.3209 0.080 Uiso 1 1 calc R U . . .
H55B H -0.4154 0.1697 0.3610 0.080 Uiso 1 1 calc R U . . .
H55C H -0.4088 0.1774 0.2943 0.080 Uiso 1 1 calc R U . . .
C56 C -0.2081(11) 0.2713(8) 0.4548(4) 0.060(3) Uani 1 1 d . . . . .
H56 H -0.2240 0.2092 0.4519 0.072 Uiso 1 1 calc R U . . .
C57 C -0.3148(14) 0.2868(11) 0.4771(5) 0.088(5) Uani 1 1 d . . . . .
H57A H -0.3249 0.2605 0.5124 0.131 Uiso 1 1 calc R U . . .
H57B H -0.3901 0.2624 0.4476 0.131 Uiso 1 1 calc R U . . .
H57C H -0.2989 0.3475 0.4859 0.131 Uiso 1 1 calc R U . . .
C58 C -0.0891(11) 0.3112(8) 0.5002(4) 0.064(3) Uani 1 1 d . . . . .
H58A H -0.0180 0.3121 0.4825 0.076 Uiso 1 1 calc R U . . .
H58B H -0.0902 0.2780 0.5326 0.076 Uiso 1 1 calc R U . . .
H58C H -0.0832 0.3688 0.5144 0.076 Uiso 1 1 calc R U . . .
C59 C -0.1088(10) 0.4141(6) 0.3865(5) 0.057(3) Uani 1 1 d . . . . .
H59 H -0.1156 0.4257 0.3454 0.069 Uiso 1 1 calc R U . . .
C60 C -0.1673(13) 0.4721(8) 0.4148(5) 0.069(3) Uani 1 1 d . . . . .
H60A H -0.1768 0.4579 0.4537 0.104 Uiso 1 1 calc R U . . .
H60B H -0.2482 0.4651 0.3913 0.104 Uiso 1 1 calc R U . . .
H60C H -0.1145 0.5306 0.4177 0.104 Uiso 1 1 calc R U . . .
C61 C 0.0317(10) 0.4391(7) 0.4100(5) 0.062(3) Uani 1 1 d . . . . .
H61A H 0.0703 0.4990 0.4078 0.092 Uiso 1 1 calc R U . . .
H61B H 0.0672 0.4055 0.3866 0.092 Uiso 1 1 calc R U . . .
H61C H 0.0463 0.4287 0.4504 0.092 Uiso 1 1 calc R U . . .
C62 C -0.0283(8) 0.0224(6) 0.2999(4) 0.042(2) Uani 1 1 d . . . . .
H62 H -0.0924 0.0113 0.3245 0.051 Uiso 1 1 calc R U . . .
C63 C 0.0961(9) 0.0369(7) 0.3426(4) 0.049(2) Uani 1 1 d . . . . .
H63A H 0.0847 -0.0055 0.3693 0.074 Uiso 1 1 calc R U . . .
H63B H 0.1226 0.0932 0.3647 0.074 Uiso 1 1 calc R U . . .
H63C H 0.1588 0.0319 0.3206 0.074 Uiso 1 1 calc R U . . .
C64 C -0.0603(9) -0.0587(6) 0.2585(5) 0.051(2) Uani 1 1 d . . . . .
H64A H -0.0009 -0.0520 0.2327 0.077 Uiso 1 1 calc R U . . .
H64B H -0.1433 -0.0712 0.2354 0.077 Uiso 1 1 calc R U . . .
H64C H -0.0575 -0.1051 0.2808 0.077 Uiso 1 1 calc R U . . .
C65 C -0.1431(10) 0.0741(6) 0.1994(4) 0.049(2) Uani 1 1 d . . . . .
H65 H -0.1226 0.0238 0.1843 0.059 Uiso 1 1 calc R U . . .
C66 C -0.2754(9) 0.0421(6) 0.2076(4) 0.049(2) Uani 1 1 d . . . . .
H66A H -0.3058 0.0898 0.2137 0.074 Uiso 1 1 calc R U . . .
H66B H -0.2793 0.0117 0.2414 0.074 Uiso 1 1 calc R U . . .
H66C H -0.3264 0.0041 0.1730 0.074 Uiso 1 1 calc R U . . .
C67 C -0.1380(11) 0.1321(7) 0.1497(4) 0.059(3) Uani 1 1 d . . . . .
H67A H -0.1909 0.0991 0.1137 0.088 Uiso 1 1 calc R U . . .
H67B H -0.0531 0.1541 0.1438 0.088 Uiso 1 1 calc R U . . .
H67C H -0.1668 0.1790 0.1607 0.088 Uiso 1 1 calc R U . . .
C68 C 0.1132(10) 0.1708(7) 0.2454(5) 0.057(3) Uani 1 1 d . . . . .
H68 H 0.0968 0.2126 0.2200 0.068 Uiso 1 1 calc R U . . .
C69 C 0.1544(12) 0.1095(9) 0.2071(6) 0.074(4) Uani 1 1 d . . . . .
H69A H 0.2317 0.1402 0.1959 0.110 Uiso 1 1 calc R U . . .
H69B H 0.0908 0.0849 0.1722 0.110 Uiso 1 1 calc R U . . .
H69C H 0.1668 0.0645 0.2290 0.110 Uiso 1 1 calc R U . . .
C70 C 0.2156(9) 0.2220(8) 0.2959(6) 0.067(3) Uani 1 1 d . . . . .
H70A H 0.2504 0.1839 0.3169 0.100 Uiso 1 1 calc R U . . .
H70B H 0.1816 0.2527 0.3221 0.100 Uiso 1 1 calc R U . . .
H70C H 0.2802 0.2620 0.2809 0.100 Uiso 1 1 calc R U . . .
C71 C 0.102(2) 0.1086(12) -0.0362(8) 0.127(8) Uani 1 1 d . . . . .
H71A H 0.1165 0.1604 -0.0094 0.153 Uiso 1 1 calc R U . . .
H71B H 0.1364 0.0701 -0.0144 0.153 Uiso 1 1 calc R U . . .
C72 C -0.4577(13) 0.1867(8) 0.1454(5) 0.068(3) Uani 1 1 d . . . . .
H72A H -0.4100 0.1924 0.1851 0.082 Uiso 1 1 calc R U . . .
H72B H -0.3990 0.1988 0.1187 0.082 Uiso 1 1 calc R U . . .
C73 C 0.325(2) 0.0462(15) 0.4913(7) 0.145(10) Uani 1 1 d . . . . .
H73A H 0.3843 0.0688 0.5284 0.174 Uiso 1 1 calc R U . . .
H73B H 0.2517 0.0634 0.4940 0.174 Uiso 1 1 calc R U . . .
C74 C 0.339(6) 0.434(3) 0.439(4) 0.79(7) Uani 1 1 d . . . . .
H74A H 0.3301 0.4274 0.4791 0.953 Uiso 1 1 calc R U . . .
H74B H 0.2574 0.4036 0.4142 0.953 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C11 1.774(10) . ?
Ru1 C10 2.009(8) . ?
Ru1 O2 2.207(6) . ?
Ru1 O3 2.300(5) . ?
Ru1 P1 2.405(2) . ?
Ru1 P2 2.408(2) . ?
Ru1 C30 2.592(8) . ?
Ru2 C52 1.795(9) . ?
Ru2 C1 2.024(8) . ?
Ru2 O5 2.186(6) . ?
Ru2 O6 2.305(6) . ?
Ru2 P4 2.400(3) . ?
Ru2 P3 2.411(3) . ?
N1 C33 1.400(10) . ?
N1 C37 1.421(11) . ?
N1 C44 1.446(11) . ?
O1 C11 1.198(11) . ?
O2 C30 1.261(9) . ?
O3 C30 1.260(9) . ?
O4 C52 1.172(10) . ?
O5 C51 1.275(10) . ?
O6 C51 1.266(10) . ?
O7 C40 1.379(11) . ?
O7 C43 1.393(13) . ?
O8 C47 1.376(12) . ?
O8 C50 1.428(14) . ?
P1 C18 1.850(9) . ?
P1 C12 1.871(9) . ?
P1 C15 1.877(9) . ?
P2 C21 1.851(10) . ?
P2 C27 1.867(11) . ?
P2 C24 1.878(9) . ?
P3 C53 1.853(10) . ?
P3 C59 1.856(10) . ?
P3 C56 1.864(11) . ?
P4 C65 1.828(10) . ?
P4 C68 1.862(11) . ?
P4 C62 1.866(10) . ?
Cl1 C71 1.86(2) . ?
Cl2 C71 1.68(2) . ?
Cl3 C72 1.761(14) . ?
Cl4 C72 1.735(12) . ?
Cl5 C73 1.66(2) . ?
Cl6 C73 1.72(2) . ?
Cl7 C74 1.62(3) . ?
Cl8 C74 1.61(4) . ?
C1 C2 1.331(12) . ?
C2 C3 1.492(11) . ?
C3 C4 1.396(13) . ?
C3 C8 1.400(13) . ?
C4 C5 1.377(12) . ?
C5 C6 1.381(12) . ?
C6 C7 1.378(13) . ?
C6 C9 1.483(11) 2_666 ?
C7 C8 1.401(13) . ?
C9 C10 1.343(11) . ?
C9 C6 1.483(11) 2_666 ?
C12 C13 1.521(12) . ?
C12 C14 1.548(14) . ?
C15 C17 1.520(13) . ?
C15 C16 1.546(14) . ?
C18 C19 1.545(14) . ?
C18 C20 1.545(14) . ?
C21 C22 1.534(15) . ?
C21 C23 1.541(14) . ?
C24 C25 1.474(14) . ?
C24 C26 1.542(14) . ?
C27 C28 1.494(15) . ?
C27 C29 1.540(17) . ?
C30 C31 1.483(11) . ?
C31 C36 1.390(12) . ?
C31 C32 1.396(11) . ?
C32 C33 1.381(11) . ?
C33 C34 1.411(12) . ?
C34 C35 1.398(11) . ?
C35 C36 1.391(11) . ?
C35 C51 1.493(11) . ?
C37 C38 1.384(12) . ?
C37 C42 1.409(11) . ?
C38 C39 1.403(13) . ?
C39 C40 1.390(12) . ?
C40 C41 1.376(13) . ?
C41 C42 1.390(12) . ?
C44 C49 1.365(13) . ?
C44 C45 1.371(12) . ?
C45 C46 1.397(13) . ?
C46 C47 1.388(15) . ?
C47 C48 1.396(14) . ?
C48 C49 1.384(13) . ?
C53 C54 1.499(15) . ?
C53 C55 1.536(14) . ?
C56 C57 1.506(17) . ?
C56 C58 1.536(15) . ?
C59 C60 1.519(16) . ?
C59 C61 1.550(15) . ?
C62 C64 1.524(14) . ?
C62 C63 1.563(12) . ?
C65 C66 1.517(15) . ?
C65 C67 1.579(14) . ?
C68 C70 1.530(17) . ?
C68 C69 1.550(17) . ?

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
C11 Ru1 C10 90.4(4) . . ?
C11 Ru1 O2 170.4(3) . . ?
C10 Ru1 O2 99.1(3) . . ?
C11 Ru1 O3 112.4(3) . . ?
C10 Ru1 O3 157.1(3) . . ?
O2 Ru1 O3 58.12(19) . . ?
C11 Ru1 P1 89.3(3) . . ?
C10 Ru1 P1 91.1(2) . . ?
O2 Ru1 P1 88.86(16) . . ?
O3 Ru1 P1 89.79(15) . . ?
C11 Ru1 P2 91.4(3) . . ?
C10 Ru1 P2 89.4(2) . . ?
O2 Ru1 P2 90.29(16) . . ?
O3 Ru1 P2 89.43(15) . . ?
P1 Ru1 P2 179.07(8) . . ?
C11 Ru1 C30 141.4(3) . . ?
C10 Ru1 C30 128.1(3) . . ?
O2 Ru1 C30 29.1(2) . . ?
O3 Ru1 C30 29.1(2) . . ?
P1 Ru1 C30 88.12(18) . . ?
P2 Ru1 C30 90.96(18) . . ?
C52 Ru2 C1 88.1(3) . . ?
C52 Ru2 O5 174.4(3) . . ?
C1 Ru2 O5 97.4(3) . . ?
C52 Ru2 O6 116.2(3) . . ?
C1 Ru2 O6 155.7(3) . . ?
O5 Ru2 O6 58.35(19) . . ?
C52 Ru2 P4 88.7(3) . . ?
C1 Ru2 P4 93.8(3) . . ?
O5 Ru2 P4 89.93(17) . . ?
O6 Ru2 P4 88.93(16) . . ?
C52 Ru2 P3 89.9(3) . . ?
C1 Ru2 P3 90.6(3) . . ?
O5 Ru2 P3 90.98(18) . . ?
O6 Ru2 P3 87.69(16) . . ?
P4 Ru2 P3 175.38(8) . . ?
C33 N1 C37 122.3(7) . . ?
C33 N1 C44 118.5(7) . . ?
C37 N1 C44 118.5(6) . . ?
C30 O2 Ru1 92.6(5) . . ?
C30 O3 Ru1 88.4(4) . . ?
C51 O5 Ru2 93.8(5) . . ?
C51 O6 Ru2 88.6(5) . . ?
C40 O7 C43 118.5(8) . . ?
C47 O8 C50 116.7(9) . . ?
C18 P1 C12 102.4(4) . . ?
C18 P1 C15 109.7(4) . . ?
C12 P1 C15 103.0(5) . . ?
C18 P1 Ru1 113.7(3) . . ?
C12 P1 Ru1 114.0(3) . . ?
C15 P1 Ru1 113.1(3) . . ?
C21 P2 C27 102.5(5) . . ?
C21 P2 C24 109.6(4) . . ?
C27 P2 C24 102.9(4) . . ?
C21 P2 Ru1 110.2(3) . . ?
C27 P2 Ru1 115.9(4) . . ?
C24 P2 Ru1 114.8(3) . . ?
C53 P3 C59 100.4(5) . . ?
C53 P3 C56 103.6(5) . . ?
C59 P3 C56 109.3(5) . . ?
C53 P3 Ru2 112.9(3) . . ?
C59 P3 Ru2 115.1(4) . . ?
C56 P3 Ru2 114.1(4) . . ?
C65 P4 C68 104.0(5) . . ?
C65 P4 C62 101.3(4) . . ?
C68 P4 C62 109.6(5) . . ?
C65 P4 Ru2 112.5(4) . . ?
C68 P4 Ru2 115.0(4) . . ?
C62 P4 Ru2 113.3(3) . . ?
C2 C1 Ru2 134.4(6) . . ?
C1 C2 C3 125.8(8) . . ?
C4 C3 C8 116.5(8) . . ?
C4 C3 C2 119.2(8) . . ?
C8 C3 C2 124.3(8) . . ?
C5 C4 C3 121.4(9) . . ?
C4 C5 C6 122.3(8) . . ?
C5 C6 C7 117.2(8) . . ?
C5 C6 C9 119.3(8) . 2_666 ?
C7 C6 C9 123.6(8) . 2_666 ?
C6 C7 C8 121.4(9) . . ?
C7 C8 C3 121.0(9) . . ?
C10 C9 C6 127.8(8) . 2_666 ?
C9 C10 Ru1 134.7(7) . . ?
O1 C11 Ru1 178.1(7) . . ?
C13 C12 C14 110.1(8) . . ?
C13 C12 P1 114.7(7) . . ?
C14 C12 P1 111.1(6) . . ?
C17 C15 C16 110.0(8) . . ?
C17 C15 P1 111.5(7) . . ?
C16 C15 P1 116.1(6) . . ?
C19 C18 C20 109.2(8) . . ?
C19 C18 P1 115.5(7) . . ?
C20 C18 P1 115.4(7) . . ?
C22 C21 C23 109.2(9) . . ?
C22 C21 P2 114.3(6) . . ?
C23 C21 P2 116.8(7) . . ?
C25 C24 C26 110.8(8) . . ?
C25 C24 P2 114.0(7) . . ?
C26 C24 P2 116.4(7) . . ?
C28 C27 C29 109.7(10) . . ?
C28 C27 P2 116.0(8) . . ?
C29 C27 P2 109.8(8) . . ?
O3 C30 O2 120.7(7) . . ?
O3 C30 C31 119.4(7) . . ?
O2 C30 C31 119.8(7) . . ?
O3 C30 Ru1 62.5(4) . . ?
O2 C30 Ru1 58.3(4) . . ?
C31 C30 Ru1 177.0(6) . . ?
C36 C31 C32 119.1(7) . . ?
C36 C31 C30 120.5(7) . . ?
C32 C31 C30 120.3(7) . . ?
C33 C32 C31 122.2(8) . . ?
C32 C33 N1 123.0(7) . . ?
C32 C33 C34 118.4(7) . . ?
N1 C33 C34 118.6(7) . . ?
C35 C34 C33 119.8(7) . . ?
C36 C35 C34 120.7(7) . . ?
C36 C35 C51 120.4(7) . . ?
C34 C35 C51 118.9(7) . . ?
C31 C36 C35 119.8(7) . . ?
C38 C37 C42 119.1(8) . . ?
C38 C37 N1 120.1(7) . . ?
C42 C37 N1 120.9(8) . . ?
C37 C38 C39 120.4(8) . . ?
C40 C39 C38 120.3(9) . . ?
C41 C40 O7 124.4(8) . . ?
C41 C40 C39 119.1(9) . . ?
O7 C40 C39 116.5(8) . . ?
C40 C41 C42 121.5(8) . . ?
C41 C42 C37 119.5(8) . . ?
C49 C44 C45 118.4(8) . . ?
C49 C44 N1 120.9(8) . . ?
C45 C44 N1 120.5(8) . . ?
C44 C45 C46 122.4(9) . . ?
C47 C46 C45 117.6(9) . . ?
O8 C47 C46 124.0(9) . . ?
O8 C47 C48 115.0(9) . . ?
C46 C47 C48 121.0(9) . . ?
C49 C48 C47 118.4(10) . . ?
C44 C49 C48 122.1(9) . . ?
O6 C51 O5 119.2(7) . . ?
O6 C51 C35 121.9(7) . . ?
O5 C51 C35 118.9(7) . . ?
O4 C52 Ru2 178.1(7) . . ?
C54 C53 C55 107.2(9) . . ?
C54 C53 P3 116.1(8) . . ?
C55 C53 P3 110.4(7) . . ?
C57 C56 C58 109.8(9) . . ?
C57 C56 P3 116.5(8) . . ?
C58 C56 P3 112.3(9) . . ?
C60 C59 C61 112.5(9) . . ?
C60 C59 P3 116.4(9) . . ?
C61 C59 P3 113.3(8) . . ?
C64 C62 C63 110.1(8) . . ?
C64 C62 P4 117.6(7) . . ?
C63 C62 P4 112.4(7) . . ?
C66 C65 C67 107.9(9) . . ?
C66 C65 P4 112.2(7) . . ?
C67 C65 P4 116.6(7) . . ?
C70 C68 C69 112.6(10) . . ?
C70 C68 P4 113.4(8) . . ?
C69 C68 P4 113.1(8) . . ?
Cl2 C71 Cl1 110.6(10) . . ?
Cl4 C72 Cl3 110.6(8) . . ?
Cl5 C73 Cl6 117.4(10) . . ?
Cl7 C74 Cl8 128(4) . . ?

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
Ru2 C1 C2 C3 -173.1(7) . . . . ?
C1 C2 C3 C4 169.7(10) . . . . ?
C1 C2 C3 C8 -10.5(16) . . . . ?
C8 C3 C4 C5 3.6(15) . . . . ?
C2 C3 C4 C5 -176.5(9) . . . . ?
C3 C4 C5 C6 0.1(16) . . . . ?
C4 C5 C6 C7 -3.7(16) . . . . ?
C4 C5 C6 C9 176.1(9) . . . 2_666 ?
C5 C6 C7 C8 3.6(17) . . . . ?
C9 C6 C7 C8 -176.2(10) 2_666 . . . ?
C6 C7 C8 C3 0.2(19) . . . . ?
C4 C3 C8 C7 -3.8(16) . . . . ?
C2 C3 C8 C7 176.4(10) . . . . ?
C6 C9 C10 Ru1 -171.6(7) 2_666 . . . ?
C18 P1 C12 C13 -49.9(8) . . . . ?
C15 P1 C12 C13 -163.9(7) . . . . ?
Ru1 P1 C12 C13 73.3(8) . . . . ?
C18 P1 C12 C14 -175.6(7) . . . . ?
C15 P1 C12 C14 70.4(8) . . . . ?
Ru1 P1 C12 C14 -52.4(8) . . . . ?
C18 P1 C15 C17 43.9(8) . . . . ?
C12 P1 C15 C17 152.3(7) . . . . ?
Ru1 P1 C15 C17 -84.2(7) . . . . ?
C18 P1 C15 C16 -83.1(8) . . . . ?
C12 P1 C15 C16 25.4(9) . . . . ?
Ru1 P1 C15 C16 148.9(7) . . . . ?
C12 P1 C18 C19 -53.8(8) . . . . ?
C15 P1 C18 C19 55.0(8) . . . . ?
Ru1 P1 C18 C19 -177.2(6) . . . . ?
C12 P1 C18 C20 177.1(7) . . . . ?
C15 P1 C18 C20 -74.1(8) . . . . ?
Ru1 P1 C18 C20 53.7(7) . . . . ?
C27 P2 C21 C22 175.5(7) . . . . ?
C24 P2 C21 C22 -75.7(8) . . . . ?
Ru1 P2 C21 C22 51.6(7) . . . . ?
C27 P2 C21 C23 -55.3(9) . . . . ?
C24 P2 C21 C23 53.6(9) . . . . ?
Ru1 P2 C21 C23 -179.1(7) . . . . ?
C21 P2 C24 C25 49.0(8) . . . . ?
C27 P2 C24 C25 157.5(8) . . . . ?
Ru1 P2 C24 C25 -75.6(8) . . . . ?
C21 P2 C24 C26 -81.8(9) . . . . ?
C27 P2 C24 C26 26.7(9) . . . . ?
Ru1 P2 C24 C26 153.6(7) . . . . ?
C21 P2 C27 C28 -49.0(10) . . . . ?
C24 P2 C27 C28 -162.8(9) . . . . ?
Ru1 P2 C27 C28 71.0(10) . . . . ?
C21 P2 C27 C29 -174.0(8) . . . . ?
C24 P2 C27 C29 72.2(8) . . . . ?
Ru1 P2 C27 C29 -54.0(8) . . . . ?
Ru1 O3 C30 O2 -4.0(8) . . . . ?
Ru1 O3 C30 C31 177.4(7) . . . . ?
Ru1 O2 C30 O3 4.1(8) . . . . ?
Ru1 O2 C30 C31 -177.3(7) . . . . ?
O3 C30 C31 C36 163.8(8) . . . . ?
O2 C30 C31 C36 -14.8(12) . . . . ?
O3 C30 C31 C32 -14.5(12) . . . . ?
O2 C30 C31 C32 166.9(8) . . . . ?
C36 C31 C32 C33 0.7(13) . . . . ?
C30 C31 C32 C33 179.1(8) . . . . ?
C31 C32 C33 N1 -178.9(8) . . . . ?
C31 C32 C33 C34 -1.1(13) . . . . ?
C37 N1 C33 C32 -27.9(13) . . . . ?
C44 N1 C33 C32 142.9(9) . . . . ?
C37 N1 C33 C34 154.3(8) . . . . ?
C44 N1 C33 C34 -34.8(11) . . . . ?
C32 C33 C34 C35 -0.7(13) . . . . ?
N1 C33 C34 C35 177.2(8) . . . . ?
C33 C34 C35 C36 2.9(13) . . . . ?
C33 C34 C35 C51 -175.6(8) . . . . ?
C32 C31 C36 C35 1.5(12) . . . . ?
C30 C31 C36 C35 -176.9(7) . . . . ?
C34 C35 C36 C31 -3.3(12) . . . . ?
C51 C35 C36 C31 175.2(8) . . . . ?
C33 N1 C37 C38 -33.7(12) . . . . ?
C44 N1 C37 C38 155.5(8) . . . . ?
C33 N1 C37 C42 147.6(8) . . . . ?
C44 N1 C37 C42 -23.3(12) . . . . ?
C42 C37 C38 C39 -1.9(13) . . . . ?
N1 C37 C38 C39 179.3(8) . . . . ?
C37 C38 C39 C40 0.3(13) . . . . ?
C43 O7 C40 C41 -1.3(14) . . . . ?
C43 O7 C40 C39 178.7(9) . . . . ?
C38 C39 C40 C41 2.1(13) . . . . ?
C38 C39 C40 O7 -177.9(8) . . . . ?
O7 C40 C41 C42 177.1(8) . . . . ?
C39 C40 C41 C42 -2.9(13) . . . . ?
C40 C41 C42 C37 1.3(13) . . . . ?
C38 C37 C42 C41 1.1(12) . . . . ?
N1 C37 C42 C41 179.9(8) . . . . ?
C33 N1 C44 C49 -51.9(12) . . . . ?
C37 N1 C44 C49 119.3(9) . . . . ?
C33 N1 C44 C45 123.2(9) . . . . ?
C37 N1 C44 C45 -65.6(11) . . . . ?
C49 C44 C45 C46 -2.7(14) . . . . ?
N1 C44 C45 C46 -177.8(8) . . . . ?
C44 C45 C46 C47 2.7(14) . . . . ?
C50 O8 C47 C46 5.6(14) . . . . ?
C50 O8 C47 C48 -174.8(9) . . . . ?
C45 C46 C47 O8 177.4(9) . . . . ?
C45 C46 C47 C48 -2.2(14) . . . . ?
O8 C47 C48 C49 -177.8(9) . . . . ?
C46 C47 C48 C49 1.9(14) . . . . ?
C45 C44 C49 C48 2.3(14) . . . . ?
N1 C44 C49 C48 177.4(9) . . . . ?
C47 C48 C49 C44 -1.9(15) . . . . ?
Ru2 O6 C51 O5 0.6(8) . . . . ?
Ru2 O6 C51 C35 -179.6(7) . . . . ?
Ru2 O5 C51 O6 -0.6(8) . . . . ?
Ru2 O5 C51 C35 179.6(7) . . . . ?
C36 C35 C51 O6 172.9(8) . . . . ?
C34 C35 C51 O6 -8.6(12) . . . . ?
C36 C35 C51 O5 -7.2(12) . . . . ?
C34 C35 C51 O5 171.3(8) . . . . ?
C59 P3 C53 C54 50.3(9) . . . . ?
C56 P3 C53 C54 163.3(8) . . . . ?
Ru2 P3 C53 C54 -72.7(8) . . . . ?
C59 P3 C53 C55 172.5(8) . . . . ?
C56 P3 C53 C55 -74.5(8) . . . . ?
Ru2 P3 C53 C55 49.5(8) . . . . ?
C53 P3 C56 C57 -24.4(12) . . . . ?
C59 P3 C56 C57 81.9(12) . . . . ?
Ru2 P3 C56 C57 -147.6(10) . . . . ?
C53 P3 C56 C58 -152.3(8) . . . . ?
C59 P3 C56 C58 -46.0(9) . . . . ?
Ru2 P3 C56 C58 84.5(8) . . . . ?
C53 P3 C59 C60 52.6(9) . . . . ?
C56 P3 C59 C60 -56.0(10) . . . . ?
Ru2 P3 C59 C60 174.1(7) . . . . ?
C53 P3 C59 C61 -174.7(8) . . . . ?
C56 P3 C59 C61 76.8(10) . . . . ?
Ru2 P3 C59 C61 -53.2(9) . . . . ?
C65 P4 C62 C64 24.1(8) . . . . ?
C68 P4 C62 C64 -85.3(8) . . . . ?
Ru2 P4 C62 C64 144.8(6) . . . . ?
C65 P4 C62 C63 153.5(7) . . . . ?
C68 P4 C62 C63 44.1(8) . . . . ?
Ru2 P4 C62 C63 -85.8(7) . . . . ?
C68 P4 C65 C66 -169.9(7) . . . . ?
C62 P4 C65 C66 76.4(8) . . . . ?
Ru2 P4 C65 C66 -44.9(8) . . . . ?
C68 P4 C65 C67 -44.8(9) . . . . ?
C62 P4 C65 C67 -158.5(8) . . . . ?
Ru2 P4 C65 C67 80.3(8) . . . . ?
C65 P4 C68 C70 173.6(8) . . . . ?
C62 P4 C68 C70 -78.9(9) . . . . ?
Ru2 P4 C68 C70 50.1(9) . . . . ?
C65 P4 C68 C69 -56.6(9) . . . . ?
C62 P4 C68 C69 51.0(9) . . . . ?
Ru2 P4 C68 C69 179.9(7) . . . . ?

_refine_diff_density_max         1.056
_refine_diff_density_min         -1.347
_refine_diff_density_rms         0.154

