# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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. 
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data_190721b
_database_code_depnum_ccdc_archive 'CCDC 1993083'
loop_
_audit_author_name
_audit_author_address
Chen
;Qufu Normal University
China
;
_audit_update_record             
;
2020-06-04 deposited with the CCDC.	2020-06-09 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         ?
_chemical_formula_sum            'C34.50 H34 Cl2 F6 N3 P Ru'
_chemical_formula_weight         807.58

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'
F F 0.0171 0.0103 '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'

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

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

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

_cell_length_a                   17.9852(16)
_cell_length_b                   9.8972(8)
_cell_length_c                   19.7318(17)
_cell_angle_alpha                90
_cell_angle_beta                 92.578(2)
_cell_angle_gamma                90
_cell_volume                     3508.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2897
_cell_measurement_theta_min      2.264
_cell_measurement_theta_max      26.236

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_F_000             1636
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.706
_shelx_estimated_absorpt_T_min   0.765
_shelx_estimated_absorpt_T_max   0.966
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7655
_exptl_absorpt_correction_T_max  0.9656
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18024
_diffrn_reflns_av_unetI/netI     0.1155
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.267
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_full        25.020
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_point_group_measured_fraction_full 0.957
_reflns_number_total             11872
_reflns_number_gt                7132
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.804
_reflns_Friedel_fraction_max     0.911
_reflns_Friedel_fraction_full    0.911

_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0567P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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_abs_structure_details 
;
 Flack x determined using 2132 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.01(5)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         11872
_refine_ls_number_parameters     892
_refine_ls_number_restraints     485
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0598
_refine_ls_wR_factor_ref         0.1428
_refine_ls_wR_factor_gt          0.1268
_refine_ls_goodness_of_fit_ref   0.882
_refine_ls_restrained_S_all      0.908
_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_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 0.12421(5) -0.00033(10) -0.04121(4) 0.0522(3) Uani 1 1 d . . . . .
Ru2 Ru 0.67563(5) 0.14475(11) 0.53631(5) 0.0588(3) Uani 1 1 d . . . . .
Cl1 Cl -0.00277(17) -0.0551(4) -0.06913(15) 0.0697(9) Uani 1 1 d . . . . .
Cl2 Cl 0.6346(2) -0.0843(4) 0.53456(19) 0.0853(11) Uani 1 1 d . . . . .
Cl3 Cl 0.234(2) 0.143(6) 0.3141(17) 0.178(5) Uani 0.577(9) 1 d D U P A 1
Cl4 Cl 0.3328(7) -0.0159(14) 0.2513(6) 0.178(4) Uani 0.577(9) 1 d D U P A 1
Cl3' Cl 0.238(3) 0.152(9) 0.332(2) 0.178(5) Uani 0.423(9) 1 d D . P A 2
Cl4' Cl 0.3866(11) 0.0530(18) 0.2973(10) 0.178(4) Uani 0.423(9) 1 d D . P A 2
F1 F 0.2525(6) 0.3709(10) 0.7634(4) 0.126(3) Uani 1 1 d . U . . .
F2 F 0.1733(6) 0.3363(12) 0.6225(5) 0.137(3) Uani 1 1 d . U . . .
F3 F 0.2040(6) 0.1958(10) 0.7064(4) 0.125(3) Uani 1 1 d . U . . .
F4 F 0.1372(6) 0.3878(11) 0.7257(5) 0.141(3) Uani 1 1 d . U . . .
F5 F 0.2246(5) 0.5112(11) 0.6791(4) 0.112(2) Uani 1 1 d . U . . .
F6 F 0.2889(5) 0.3228(10) 0.6617(5) 0.125(3) Uani 1 1 d . U . . .
F7 F 0.2530(8) 0.5386(16) 0.1010(6) 0.192(4) Uani 1 1 d . U . . .
F8 F 0.2438(7) 0.4801(14) 0.2520(5) 0.172(4) Uani 1 1 d . U . . .
F9 F 0.2747(7) 0.6499(14) 0.1930(6) 0.175(4) Uani 1 1 d . U . . .
F10 F 0.1653(7) 0.5489(12) 0.1693(7) 0.166(4) Uani 1 1 d . U . . .
F11 F 0.2256(7) 0.3563(13) 0.1614(6) 0.169(4) Uani 1 1 d . U . . .
F12 F 0.3297(7) 0.4567(14) 0.1825(7) 0.178(4) Uani 1 1 d . U . . .
N1 N 0.1475(5) -0.1954(9) -0.0754(5) 0.055(2) Uani 1 1 d . . . . .
N2 N 0.1121(5) -0.1202(10) 0.0447(4) 0.050(2) Uani 1 1 d . . . . .
N3 N 0.0385(6) 0.0804(11) 0.2992(5) 0.067(3) Uani 1 1 d . . . . .
N4 N 0.5975(5) 0.1740(11) 0.6093(5) 0.066(3) Uani 1 1 d . . . . .
N5 N 0.5784(5) 0.1883(10) 0.4784(4) 0.060(3) Uani 1 1 d . . . . .
N6 N 0.5730(8) 0.2466(14) 0.1964(6) 0.100(4) Uani 1 1 d . U . . .
P1 P 0.2137(2) 0.3530(5) 0.69209(19) 0.0850(12) Uani 1 1 d . U . . .
P2 P 0.2498(3) 0.5041(6) 0.1756(2) 0.1158(16) Uani 1 1 d . U . . .
C1 C 0.1241(6) -0.2478(13) 0.0363(6) 0.055(3) Uani 1 1 d . . . . .
H1 H 0.1189 -0.3088 0.0716 0.067 Uiso 1 1 calc R U . . .
C2 C 0.1459(6) -0.2925(13) -0.0294(6) 0.055(3) Uani 1 1 d . . . . .
C3 C 0.1628(7) -0.4273(14) -0.0428(7) 0.066(3) Uani 1 1 d . . . . .
H3 H 0.1615 -0.4938 -0.0096 0.080 Uiso 1 1 calc R U . . .
C4 C 0.1818(7) -0.4566(14) -0.1093(7) 0.074(4) Uani 1 1 d . . . . .
H4 H 0.1944 -0.5445 -0.1207 0.088 Uiso 1 1 calc R U . . .
C5 C 0.1820(7) -0.3578(16) -0.1577(6) 0.073(3) Uani 1 1 d . . . . .
H5 H 0.1938 -0.3786 -0.2019 0.087 Uiso 1 1 calc R U . . .
C6 C 0.1642(7) -0.2248(14) -0.1402(6) 0.068(3) Uani 1 1 d . . . . .
H6 H 0.1638 -0.1569 -0.1728 0.081 Uiso 1 1 calc R U . . .
C7 C 0.0935(6) -0.0694(13) 0.1092(5) 0.052(3) Uani 1 1 d . . . . .
C8 C 0.1293(7) -0.1186(13) 0.1686(6) 0.066(3) Uani 1 1 d . . . . .
H8 H 0.1669 -0.1828 0.1662 0.080 Uiso 1 1 calc R U . . .
C9 C 0.1091(7) -0.0725(13) 0.2297(6) 0.061(3) Uani 1 1 d . . . . .
H9 H 0.1314 -0.1096 0.2689 0.073 Uiso 1 1 calc R U . . .
C10 C 0.0569(6) 0.0270(14) 0.2356(6) 0.063(3) Uani 1 1 d . . . . .
C11 C 0.0237(6) 0.0817(13) 0.1754(5) 0.059(3) Uani 1 1 d . . . . .
H11 H -0.0114 0.1502 0.1779 0.071 Uiso 1 1 calc R U . . .
C12 C 0.0431(6) 0.0340(13) 0.1130(5) 0.060(3) Uani 1 1 d . . . . .
H12 H 0.0221 0.0720 0.0735 0.072 Uiso 1 1 calc R U . . .
C13 C 0.0426(7) 0.0002(18) 0.3588(5) 0.071(4) Uani 1 1 d . . . . .
C14 C 0.0230(8) -0.1389(15) 0.3573(7) 0.081(4) Uani 1 1 d . . . . .
H14 H 0.0083 -0.1805 0.3166 0.097 Uiso 1 1 calc R U . . .
C15 C 0.0261(9) -0.2110(19) 0.4169(9) 0.108(6) Uani 1 1 d . . . . .
H15 H 0.0138 -0.3022 0.4161 0.130 Uiso 1 1 calc R U . . .
C16 C 0.0471(11) -0.151(2) 0.4778(8) 0.115(7) Uani 1 1 d . . . . .
H16 H 0.0487 -0.2019 0.5175 0.138 Uiso 1 1 calc R U . . .
C17 C 0.0652(9) -0.020(2) 0.4798(7) 0.105(6) Uani 1 1 d . . . . .
H17 H 0.0792 0.0196 0.5213 0.126 Uiso 1 1 calc R U . . .
C18 C 0.0635(8) 0.0612(15) 0.4200(6) 0.086(4) Uani 1 1 d . . . . .
H18 H 0.0760 0.1523 0.4220 0.103 Uiso 1 1 calc R U . . .
C19 C 0.0039(8) 0.2095(15) 0.3028(6) 0.066(4) Uani 1 1 d . . . . .
C20 C -0.0667(8) 0.2234(17) 0.3269(6) 0.085(4) Uani 1 1 d . . . . .
H20 H -0.0922 0.1471 0.3406 0.102 Uiso 1 1 calc R U . . .
C21 C -0.0999(10) 0.348(2) 0.3308(7) 0.101(5) Uani 1 1 d . U . . .
H21 H -0.1474 0.3570 0.3469 0.121 Uiso 1 1 calc R U . . .
C22 C -0.0611(10) 0.4582(19) 0.3104(8) 0.101(5) Uani 1 1 d . U . . .
H22 H -0.0832 0.5427 0.3136 0.121 Uiso 1 1 calc R U . . .
C23 C 0.0078(11) 0.4510(18) 0.2857(8) 0.108(6) Uani 1 1 d . . . . .
H23 H 0.0330 0.5275 0.2719 0.130 Uiso 1 1 calc R U . . .
C24 C 0.0395(9) 0.3192(16) 0.2822(7) 0.082(4) Uani 1 1 d . . . . .
H24 H 0.0865 0.3096 0.2651 0.099 Uiso 1 1 calc R U . . .
C25 C 0.1134(7) 0.1868(11) -0.1046(6) 0.060(3) Uani 1 1 d . U . . .
C26 C 0.1048(7) 0.2209(14) -0.0365(6) 0.068(4) Uani 1 1 d . U . . .
H26 H 0.0630 0.2692 -0.0245 0.082 Uiso 1 1 calc R U . . .
C27 C 0.1587(7) 0.1829(12) 0.0142(6) 0.065(4) Uani 1 1 d . . . . .
H27 H 0.1516 0.2080 0.0589 0.079 Uiso 1 1 calc R U . . .
C28 C 0.2229(7) 0.1084(14) -0.0003(6) 0.070(4) Uani 1 1 d . U . . .
C29 C 0.2295(7) 0.0745(13) -0.0692(6) 0.068(4) Uani 1 1 d . U . . .
H29 H 0.2701 0.0227 -0.0811 0.082 Uiso 1 1 calc R U . . .
C30 C 0.1778(7) 0.1156(12) -0.1208(6) 0.058(3) Uani 1 1 d . U . . .
H30 H 0.1863 0.0955 -0.1659 0.070 Uiso 1 1 calc R U . . .
C31 C 0.0553(7) 0.2185(14) -0.1594(6) 0.077(4) Uani 1 1 d . . . . .
H31A H 0.0718 0.1870 -0.2022 0.115 Uiso 1 1 calc R U . . .
H31B H 0.0095 0.1744 -0.1495 0.115 Uiso 1 1 calc R U . . .
H31C H 0.0475 0.3144 -0.1615 0.115 Uiso 1 1 calc R U . . .
C32 C 0.2790(8) 0.0683(18) 0.0552(8) 0.085(4) Uani 1 1 d . . . . .
H32 H 0.2523 0.0684 0.0974 0.102 Uiso 1 1 calc R U . . .
C33 C 0.3104(9) -0.071(2) 0.0483(8) 0.113(6) Uani 1 1 d . . . . .
H33A H 0.3455 -0.0890 0.0854 0.170 Uiso 1 1 calc R U . . .
H33B H 0.2708 -0.1364 0.0488 0.170 Uiso 1 1 calc R U . . .
H33C H 0.3350 -0.0783 0.0062 0.170 Uiso 1 1 calc R U . . .
C34 C 0.3381(8) 0.1781(18) 0.0631(7) 0.111(6) Uani 1 1 d . . . . .
H34A H 0.3144 0.2645 0.0672 0.167 Uiso 1 1 calc R U . . .
H34B H 0.3692 0.1608 0.1030 0.167 Uiso 1 1 calc R U . . .
H34C H 0.3680 0.1784 0.0240 0.167 Uiso 1 1 calc R U . . .
C35 C 0.5224(7) 0.2147(14) 0.5129(7) 0.070(4) Uani 1 1 d . . . . .
H35 H 0.4771 0.2367 0.4910 0.084 Uiso 1 1 calc R U . . .
C36 C 0.5287(7) 0.2107(13) 0.5861(6) 0.068(3) Uani 1 1 d . . . . .
C37 C 0.4706(8) 0.2406(16) 0.6280(8) 0.087(5) Uani 1 1 d . . . . .
H37 H 0.4241 0.2672 0.6101 0.105 Uiso 1 1 calc R U . . .
C38 C 0.4846(10) 0.2292(18) 0.6970(9) 0.098(5) Uani 1 1 d . . . . .
H38 H 0.4483 0.2522 0.7271 0.117 Uiso 1 1 calc R U . . .
C39 C 0.5510(10) 0.1847(19) 0.7197(7) 0.103(6) Uani 1 1 d . . . . .
H39 H 0.5595 0.1706 0.7660 0.124 Uiso 1 1 calc R U . . .
C40 C 0.6080(8) 0.1587(17) 0.6762(6) 0.084(4) Uani 1 1 d . . . . .
H40 H 0.6541 0.1302 0.6941 0.101 Uiso 1 1 calc R U . . .
C41 C 0.5732(6) 0.1960(15) 0.4060(6) 0.066(4) Uani 1 1 d . . . . .
C42 C 0.5313(7) 0.2975(16) 0.3759(7) 0.081(4) Uani 1 1 d . . . . .
H42 H 0.5049 0.3569 0.4024 0.097 Uiso 1 1 calc R U . . .
C43 C 0.5286(9) 0.3106(18) 0.3054(7) 0.092(5) Uani 1 1 d . . . . .
H43 H 0.5001 0.3785 0.2845 0.111 Uiso 1 1 calc R U . . .
C44 C 0.5677(9) 0.2236(17) 0.2673(7) 0.092(5) Uani 1 1 d . . . . .
C45 C 0.6068(7) 0.1144(15) 0.2975(6) 0.079(4) Uani 1 1 d . . . . .
H45 H 0.6309 0.0510 0.2715 0.095 Uiso 1 1 calc R U . . .
C46 C 0.6080(8) 0.1051(15) 0.3688(6) 0.078(4) Uani 1 1 d . . . . .
H46 H 0.6336 0.0343 0.3904 0.094 Uiso 1 1 calc R U . . .
C47 C 0.5674(8) 0.1450(19) 0.1476(7) 0.102(4) Uani 0.61(4) 1 d D U P B 1
C48 C 0.519(2) 0.040(4) 0.1609(16) 0.105(4) Uani 0.61(4) 1 d D U P B 1
H48 H 0.4944 0.0381 0.2015 0.126 Uiso 0.61(4) 1 calc R U P B 1
C49 C 0.5064(18) -0.063(3) 0.1136(15) 0.105(4) Uani 0.61(4) 1 d D U P B 1
H49 H 0.4737 -0.1331 0.1226 0.126 Uiso 0.61(4) 1 calc R U P B 1
C50 C 0.543(2) -0.062(4) 0.0530(14) 0.106(4) Uani 0.61(4) 1 d D U P B 1
H50 H 0.5350 -0.1310 0.0213 0.127 Uiso 0.61(4) 1 calc R U P B 1
C51 C 0.591(2) 0.044(3) 0.0410(17) 0.109(4) Uani 0.61(4) 1 d D U P B 1
H51 H 0.6156 0.0448 0.0003 0.130 Uiso 0.61(4) 1 calc R U P B 1
C52 C 0.6054(16) 0.148(4) 0.0866(11) 0.109(4) Uani 0.61(4) 1 d D U P B 1
H52 H 0.6385 0.2170 0.0774 0.130 Uiso 0.61(4) 1 calc R U P B 1
C47' C 0.5674(8) 0.1450(19) 0.1476(7) 0.102(4) Uani 0.39(4) 1 d D . P B 2
C48' C 0.520(4) 0.034(5) 0.146(3) 0.105(4) Uani 0.39(4) 1 d D . P B 2
H48' H 0.4892 0.0148 0.1813 0.126 Uiso 0.39(4) 1 calc R U P B 2
C49' C 0.522(3) -0.048(5) 0.089(3) 0.105(4) Uani 0.39(4) 1 d D . P B 2
H49' H 0.4928 -0.1251 0.0837 0.126 Uiso 0.39(4) 1 calc R U P B 2
C50' C 0.571(3) -0.009(7) 0.039(3) 0.106(4) Uani 0.39(4) 1 d D . P B 2
H50' H 0.5631 -0.0541 -0.0016 0.127 Uiso 0.39(4) 1 calc R U P B 2
C51' C 0.629(3) 0.085(5) 0.039(2) 0.109(4) Uani 0.39(4) 1 d D . P B 2
H51' H 0.6643 0.0967 0.0064 0.130 Uiso 0.39(4) 1 calc R U P B 2
C52' C 0.621(2) 0.157(7) 0.0982(19) 0.109(4) Uani 0.39(4) 1 d D . P B 2
H52' H 0.6563 0.2243 0.1067 0.130 Uiso 0.39(4) 1 calc R U P B 2
C53 C 0.5850(8) 0.3826(16) 0.1783(6) 0.088(4) Uani 1 1 d D U . . .
C54 C 0.5424(10) 0.4447(19) 0.1273(8) 0.112(6) Uani 1 1 d D . . . .
H54 H 0.5063 0.3935 0.1040 0.135 Uiso 1 1 calc R U . . .
C55 C 0.5504(11) 0.5785(19) 0.1089(9) 0.118(6) Uani 1 1 d D . . . .
H55 H 0.5203 0.6190 0.0751 0.142 Uiso 1 1 calc R U . . .
C56 C 0.6067(10) 0.648(2) 0.1447(8) 0.117(5) Uani 1 1 d D U . . .
H56 H 0.6153 0.7377 0.1336 0.141 Uiso 1 1 calc R U . . .
C57 C 0.6508(10) 0.5891(18) 0.1964(8) 0.107(5) Uani 1 1 d D U . . .
H57 H 0.6868 0.6397 0.2202 0.128 Uiso 1 1 calc R U . . .
C58 C 0.6404(8) 0.4551(17) 0.2118(9) 0.104(5) Uani 1 1 d D U . . .
H58 H 0.6708 0.4136 0.2450 0.125 Uiso 1 1 calc R U . . .
C59 C 0.7944(7) 0.0740(16) 0.5491(9) 0.078(4) Uani 1 1 d . . . . .
C60 C 0.7775(7) 0.1070(16) 0.4824(8) 0.076(4) Uani 1 1 d . . . . .
H60 H 0.7848 0.0436 0.4485 0.091 Uiso 1 1 calc R U . . .
C61 C 0.7499(8) 0.2323(19) 0.4653(7) 0.086(5) Uani 1 1 d . . . . .
H61 H 0.7406 0.2519 0.4196 0.103 Uiso 1 1 calc R U . . .
C62 C 0.7348(7) 0.3346(14) 0.5143(9) 0.087(4) Uani 1 1 d D . . . .
C63 C 0.7485(8) 0.2957(17) 0.5812(8) 0.085(4) Uani 1 1 d . . . . .
H63 H 0.7373 0.3555 0.6156 0.102 Uiso 1 1 calc R U . . .
C64 C 0.7787(7) 0.169(2) 0.5988(7) 0.084(5) Uani 1 1 d . . . . .
H64 H 0.7885 0.1485 0.6443 0.101 Uiso 1 1 calc R U . . .
C65 C 0.8258(9) -0.0651(18) 0.5671(10) 0.127(7) Uani 1 1 d . . . . .
H65A H 0.8344 -0.0715 0.6154 0.190 Uiso 1 1 calc R U . . .
H65B H 0.7908 -0.1333 0.5521 0.190 Uiso 1 1 calc R U . . .
H65C H 0.8718 -0.0781 0.5452 0.190 Uiso 1 1 calc R U . . .
C66 C 0.7151(14) 0.483(2) 0.5052(11) 0.115(8) Uani 0.62(2) 1 d D U P C 1
H66 H 0.7549 0.5363 0.5277 0.138 Uiso 0.62(2) 1 calc R U P C 1
C67 C 0.7125(18) 0.518(3) 0.4293(11) 0.134(8) Uani 0.62(2) 1 d D U P C 1
H67A H 0.7001 0.6121 0.4235 0.202 Uiso 0.62(2) 1 calc R U P C 1
H67B H 0.7603 0.5013 0.4112 0.202 Uiso 0.62(2) 1 calc R U P C 1
H67C H 0.6755 0.4639 0.4057 0.202 Uiso 0.62(2) 1 calc R U P C 1
C68 C 0.6430(16) 0.514(3) 0.5395(14) 0.131(8) Uani 0.62(2) 1 d D U P C 1
H68A H 0.6310 0.6077 0.5336 0.197 Uiso 0.62(2) 1 calc R U P C 1
H68B H 0.6036 0.4595 0.5197 0.197 Uiso 0.62(2) 1 calc R U P C 1
H68C H 0.6490 0.4940 0.5871 0.197 Uiso 0.62(2) 1 calc R U P C 1
C69 C 0.314(2) 0.152(3) 0.2680(18) 0.151(6) Uani 0.577(9) 1 d D U P A 1
H69A H 0.3053 0.2032 0.2264 0.182 Uiso 0.577(9) 1 calc R U P A 1
H69B H 0.3547 0.1938 0.2946 0.182 Uiso 0.577(9) 1 calc R U P A 1
C66' C 0.6999(18) 0.450(3) 0.4740(19) 0.115(8) Uani 0.38(2) 1 d D . P C 2
H66' H 0.6794 0.4112 0.4314 0.138 Uiso 0.38(2) 1 calc R U P C 2
C67' C 0.757(3) 0.557(4) 0.455(3) 0.134(8) Uani 0.38(2) 1 d D . P C 2
H67D H 0.7318 0.6279 0.4293 0.202 Uiso 0.38(2) 1 calc R U P C 2
H67E H 0.7802 0.5944 0.4953 0.202 Uiso 0.38(2) 1 calc R U P C 2
H67F H 0.7937 0.5166 0.4277 0.202 Uiso 0.38(2) 1 calc R U P C 2
C68' C 0.635(2) 0.516(5) 0.509(3) 0.131(8) Uani 0.38(2) 1 d D . P C 2
H68D H 0.6153 0.5881 0.4807 0.197 Uiso 0.38(2) 1 calc R U P C 2
H68E H 0.5969 0.4500 0.5151 0.197 Uiso 0.38(2) 1 calc R U P C 2
H68F H 0.6523 0.5514 0.5518 0.197 Uiso 0.38(2) 1 calc R U P C 2
C69' C 0.329(2) 0.193(4) 0.310(3) 0.151(6) Uani 0.423(9) 1 d D . P A 2
H69C H 0.3519 0.2485 0.3462 0.182 Uiso 0.423(9) 1 calc R U P A 2
H69D H 0.3264 0.2473 0.2693 0.182 Uiso 0.423(9) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 2.088(9) . ?
Ru1 N1 2.094(9) . ?
Ru1 C29 2.130(11) . ?
Ru1 C27 2.192(11) . ?
Ru1 C28 2.197(12) . ?
Ru1 C30 2.202(11) . ?
Ru1 C26 2.220(14) . ?
Ru1 C25 2.239(11) . ?
Ru1 Cl1 2.387(3) . ?
Ru2 N4 2.076(10) . ?
Ru2 N5 2.091(9) . ?
Ru2 C63 2.152(14) . ?
Ru2 C61 2.160(12) . ?
Ru2 C60 2.192(13) . ?
Ru2 C64 2.194(13) . ?
Ru2 C62 2.212(14) . ?
Ru2 C59 2.252(13) . ?
Ru2 Cl2 2.384(4) . ?
Cl3 C69 1.74(2) . ?
Cl4 C69 1.73(2) . ?
Cl3' C69' 1.75(2) . ?
Cl4' C69' 1.76(2) . ?
F1 P1 1.553(9) . ?
F2 P1 1.534(9) . ?
F3 P1 1.593(10) . ?
F4 P1 1.592(10) . ?
F5 P1 1.600(11) . ?
F6 P1 1.534(9) . ?
F7 P2 1.515(12) . ?
F8 P2 1.535(11) . ?
F9 P2 1.544(14) . ?
F10 P2 1.582(13) . ?
F11 P2 1.549(13) . ?
F12 P2 1.513(13) . ?
N1 C2 1.324(14) . ?
N1 C6 1.357(13) . ?
N2 C1 1.293(14) . ?
N2 C7 1.422(13) . ?
N3 C10 1.415(14) . ?
N3 C13 1.418(15) . ?
N3 C19 1.423(15) . ?
N4 C40 1.335(14) . ?
N4 C36 1.350(14) . ?
N5 C35 1.269(15) . ?
N5 C41 1.430(14) . ?
N6 C47' 1.393(19) . ?
N6 C47 1.393(19) . ?
N6 C53 1.412(18) . ?
N6 C44 1.425(17) . ?
C1 C2 1.440(15) . ?
C1 H1 0.9300 . ?
C2 C3 1.397(16) . ?
C3 C4 1.401(16) . ?
C3 H3 0.9300 . ?
C4 C5 1.367(18) . ?
C4 H4 0.9300 . ?
C5 C6 1.402(18) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.372(15) . ?
C7 C8 1.400(15) . ?
C8 C9 1.354(14) . ?
C8 H8 0.9300 . ?
C9 C10 1.370(15) . ?
C9 H9 0.9300 . ?
C10 C11 1.413(15) . ?
C11 C12 1.378(14) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.387(17) . ?
C13 C14 1.42(2) . ?
C14 C15 1.375(18) . ?
C14 H14 0.9300 . ?
C15 C16 1.38(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.34(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.43(2) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.333(18) . ?
C19 C20 1.384(18) . ?
C20 C21 1.37(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.37(2) . ?
C21 H21 0.9300 . ?
C22 C23 1.35(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.43(2) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.401(15) . ?
C25 C30 1.405(15) . ?
C25 C31 1.503(16) . ?
C26 C27 1.413(17) . ?
C26 H26 0.9300 . ?
C27 C28 1.409(17) . ?
C27 H27 0.9300 . ?
C28 C29 1.411(16) . ?
C28 C32 1.509(19) . ?
C29 C30 1.408(16) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.50(2) . ?
C32 C34 1.523(19) . ?
C32 H32 0.9800 . ?
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 C36 1.444(16) . ?
C35 H35 0.9300 . ?
C36 C37 1.394(17) . ?
C37 C38 1.378(19) . ?
C37 H37 0.9300 . ?
C38 C39 1.33(2) . ?
C38 H38 0.9300 . ?
C39 C40 1.389(18) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C46 1.334(17) . ?
C41 C42 1.375(17) . ?
C42 C43 1.397(17) . ?
C42 H42 0.9300 . ?
C43 C44 1.359(19) . ?
C43 H43 0.9300 . ?
C44 C45 1.408(19) . ?
C45 C46 1.410(16) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 C48 1.394(13) . ?
C47 C52 1.411(13) . ?
C48 C49 1.394(13) . ?
C48 H48 0.9300 . ?
C49 C50 1.388(13) . ?
C49 H49 0.9300 . ?
C50 C51 1.395(14) . ?
C50 H50 0.9300 . ?
C51 C52 1.383(14) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
C47' C48' 1.390(14) . ?
C47' C52' 1.404(14) . ?
C48' C49' 1.393(14) . ?
C48' H48' 0.9300 . ?
C49' C50' 1.393(14) . ?
C49' H49' 0.9300 . ?
C50' C51' 1.398(14) . ?
C50' H50' 0.9300 . ?
C51' C52' 1.384(14) . ?
C51' H51' 0.9300 . ?
C52' H52' 0.9300 . ?
C53 C58 1.373(12) . ?
C53 C54 1.380(12) . ?
C54 C55 1.382(12) . ?
C54 H54 0.9300 . ?
C55 C56 1.391(12) . ?
C55 H55 0.9300 . ?
C56 C57 1.391(12) . ?
C56 H56 0.9300 . ?
C57 C58 1.375(12) . ?
C57 H57 0.9300 . ?
C58 H58 0.9300 . ?
C59 C60 1.377(19) . ?
C59 C64 1.40(2) . ?
C59 C65 1.524(19) . ?
C60 C61 1.37(2) . ?
C60 H60 0.9300 . ?
C61 C62 1.44(2) . ?
C61 H61 0.9300 . ?
C62 C63 1.386(19) . ?
C62 C66' 1.511(14) . ?
C62 C66 1.517(13) . ?
C63 C64 1.40(2) . ?
C63 H63 0.9300 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 C68 1.522(13) . ?
C66 C67 1.537(13) . ?
C66 H66 0.9800 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C66' C68' 1.524(14) . ?
C66' C67' 1.533(14) . ?
C66' H66' 0.9800 . ?
C67' H67E 0.9600 . ?
C67' H67F 0.9600 . ?
C68' H68D 0.9600 . ?
C68' H68E 0.9600 . ?
C68' H68F 0.9600 . ?
C69' H69C 0.9700 . ?
C69' H69D 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
N2 Ru1 N1 76.6(4) . . ?
N2 Ru1 C29 122.3(4) . . ?
N1 Ru1 C29 92.5(4) . . ?
N2 Ru1 C27 95.9(4) . . ?
N1 Ru1 C27 150.1(4) . . ?
C29 Ru1 C27 66.8(5) . . ?
N2 Ru1 C28 95.3(4) . . ?
N1 Ru1 C28 113.6(5) . . ?
C29 Ru1 C28 38.0(4) . . ?
C27 Ru1 C28 37.4(4) . . ?
N2 Ru1 C30 160.1(4) . . ?
N1 Ru1 C30 98.6(4) . . ?
C29 Ru1 C30 37.9(4) . . ?
C27 Ru1 C30 78.6(4) . . ?
C28 Ru1 C30 68.6(4) . . ?
N2 Ru1 C26 120.3(4) . . ?
N1 Ru1 C26 163.2(4) . . ?
C29 Ru1 C26 79.1(5) . . ?
C27 Ru1 C26 37.3(4) . . ?
C28 Ru1 C26 68.1(5) . . ?
C30 Ru1 C26 65.8(4) . . ?
N2 Ru1 C25 156.1(4) . . ?
N1 Ru1 C25 126.6(4) . . ?
C29 Ru1 C25 67.9(5) . . ?
C27 Ru1 C25 67.0(5) . . ?
C28 Ru1 C25 81.3(5) . . ?
C30 Ru1 C25 36.9(4) . . ?
C26 Ru1 C25 36.6(4) . . ?
N2 Ru1 Cl1 85.7(2) . . ?
N1 Ru1 Cl1 85.4(3) . . ?
C29 Ru1 Cl1 150.7(4) . . ?
C27 Ru1 Cl1 123.3(4) . . ?
C28 Ru1 Cl1 160.8(4) . . ?
C30 Ru1 Cl1 113.5(3) . . ?
C26 Ru1 Cl1 94.7(4) . . ?
C25 Ru1 Cl1 90.0(3) . . ?
N4 Ru2 N5 77.0(4) . . ?
N4 Ru2 C63 92.1(5) . . ?
N5 Ru2 C63 124.1(6) . . ?
N4 Ru2 C61 148.3(6) . . ?
N5 Ru2 C61 95.1(5) . . ?
C63 Ru2 C61 66.8(6) . . ?
N4 Ru2 C60 165.2(5) . . ?
N5 Ru2 C60 117.8(5) . . ?
C63 Ru2 C60 79.1(5) . . ?
C61 Ru2 C60 36.7(5) . . ?
N4 Ru2 C64 100.1(5) . . ?
N5 Ru2 C64 161.8(6) . . ?
C63 Ru2 C64 37.6(6) . . ?
C61 Ru2 C64 77.8(5) . . ?
C60 Ru2 C64 65.7(5) . . ?
N4 Ru2 C62 111.3(5) . . ?
N5 Ru2 C62 96.6(5) . . ?
C63 Ru2 C62 37.0(5) . . ?
C61 Ru2 C62 38.3(6) . . ?
C60 Ru2 C62 68.3(5) . . ?
C64 Ru2 C62 67.3(6) . . ?
N4 Ru2 C59 129.3(5) . . ?
N5 Ru2 C59 153.1(5) . . ?
C63 Ru2 C59 67.2(6) . . ?
C61 Ru2 C59 65.5(6) . . ?
C60 Ru2 C59 36.1(5) . . ?
C64 Ru2 C59 36.6(5) . . ?
C62 Ru2 C59 79.9(5) . . ?
N4 Ru2 Cl2 85.6(3) . . ?
N5 Ru2 Cl2 86.4(3) . . ?
C63 Ru2 Cl2 148.1(5) . . ?
C61 Ru2 Cl2 124.9(5) . . ?
C60 Ru2 Cl2 95.5(4) . . ?
C64 Ru2 Cl2 111.5(5) . . ?
C62 Ru2 Cl2 163.0(4) . . ?
C59 Ru2 Cl2 89.9(4) . . ?
C2 N1 C6 120.2(11) . . ?
C2 N1 Ru1 115.9(8) . . ?
C6 N1 Ru1 123.9(8) . . ?
C1 N2 C7 120.5(10) . . ?
C1 N2 Ru1 115.3(7) . . ?
C7 N2 Ru1 124.2(8) . . ?
C10 N3 C13 121.4(11) . . ?
C10 N3 C19 119.9(10) . . ?
C13 N3 C19 117.9(10) . . ?
C40 N4 C36 116.9(11) . . ?
C40 N4 Ru2 127.0(9) . . ?
C36 N4 Ru2 116.2(8) . . ?
C35 N5 C41 120.5(11) . . ?
C35 N5 Ru2 114.5(8) . . ?
C41 N5 Ru2 124.9(7) . . ?
C47' N6 C53 121.4(12) . . ?
C47 N6 C53 121.4(12) . . ?
C47' N6 C44 123.9(14) . . ?
C47 N6 C44 123.9(14) . . ?
C53 N6 C44 114.7(12) . . ?
F2 P1 F6 91.1(6) . . ?
F2 P1 F1 178.4(7) . . ?
F6 P1 F1 90.5(6) . . ?
F2 P1 F4 90.7(6) . . ?
F6 P1 F4 177.9(6) . . ?
F1 P1 F4 87.7(6) . . ?
F2 P1 F3 90.1(6) . . ?
F6 P1 F3 89.1(6) . . ?
F1 P1 F3 90.0(5) . . ?
F4 P1 F3 91.9(6) . . ?
F2 P1 F5 91.1(6) . . ?
F6 P1 F5 90.7(5) . . ?
F1 P1 F5 88.9(5) . . ?
F4 P1 F5 88.3(5) . . ?
F3 P1 F5 178.8(6) . . ?
F12 P2 F7 94.6(8) . . ?
F12 P2 F8 88.4(7) . . ?
F7 P2 F8 175.5(9) . . ?
F12 P2 F9 90.3(8) . . ?
F7 P2 F9 89.0(8) . . ?
F8 P2 F9 87.7(7) . . ?
F12 P2 F11 88.9(8) . . ?
F7 P2 F11 93.4(8) . . ?
F8 P2 F11 89.9(8) . . ?
F9 P2 F11 177.5(7) . . ?
F12 P2 F10 178.1(9) . . ?
F7 P2 F10 86.5(7) . . ?
F8 P2 F10 90.6(7) . . ?
F9 P2 F10 91.4(7) . . ?
F11 P2 F10 89.4(7) . . ?
N2 C1 C2 117.9(10) . . ?
N2 C1 H1 121.0 . . ?
C2 C1 H1 121.0 . . ?
N1 C2 C3 123.5(12) . . ?
N1 C2 C1 114.2(11) . . ?
C3 C2 C1 122.3(11) . . ?
C2 C3 C4 116.1(12) . . ?
C2 C3 H3 122.0 . . ?
C4 C3 H3 122.0 . . ?
C5 C4 C3 121.0(13) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 119.4(12) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
N1 C6 C5 119.8(12) . . ?
N1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C12 C7 C8 119.6(11) . . ?
C12 C7 N2 119.7(10) . . ?
C8 C7 N2 120.6(11) . . ?
C9 C8 C7 119.8(12) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 122.0(11) . . ?
C8 C9 H9 119.0 . . ?
C10 C9 H9 119.0 . . ?
C9 C10 C11 118.0(10) . . ?
C9 C10 N3 122.2(11) . . ?
C11 C10 N3 119.7(11) . . ?
C12 C11 C10 120.3(11) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C7 C12 C11 120.0(10) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C18 C13 N3 118.7(15) . . ?
C18 C13 C14 119.8(13) . . ?
N3 C13 C14 121.4(11) . . ?
C15 C14 C13 119.0(14) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 121.5(18) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C17 C16 C15 120.0(16) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 121.6(16) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C13 C18 C17 118.1(16) . . ?
C13 C18 H18 120.9 . . ?
C17 C18 H18 120.9 . . ?
C24 C19 C20 118.9(15) . . ?
C24 C19 N3 120.0(12) . . ?
C20 C19 N3 121.1(14) . . ?
C21 C20 C19 121.1(16) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C22 C21 C20 118.2(16) . . ?
C22 C21 H21 120.9 . . ?
C20 C21 H21 120.9 . . ?
C23 C22 C21 123.5(17) . . ?
C23 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
C22 C23 C24 116.1(18) . . ?
C22 C23 H23 122.0 . . ?
C24 C23 H23 122.0 . . ?
C19 C24 C23 122.2(15) . . ?
C19 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C26 C25 C30 117.8(11) . . ?
C26 C25 C31 122.5(12) . . ?
C30 C25 C31 119.6(11) . . ?
C26 C25 Ru1 71.0(7) . . ?
C30 C25 Ru1 70.1(6) . . ?
C31 C25 Ru1 128.0(8) . . ?
C25 C26 C27 120.9(12) . . ?
C25 C26 Ru1 72.4(7) . . ?
C27 C26 Ru1 70.3(7) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
Ru1 C26 H26 130.4 . . ?
C28 C27 C26 122.6(11) . . ?
C28 C27 Ru1 71.5(7) . . ?
C26 C27 Ru1 72.4(7) . . ?
C28 C27 H27 118.7 . . ?
C26 C27 H27 118.7 . . ?
Ru1 C27 H27 130.2 . . ?
C27 C28 C29 115.2(12) . . ?
C27 C28 C32 121.2(12) . . ?
C29 C28 C32 123.6(13) . . ?
C27 C28 Ru1 71.1(7) . . ?
C29 C28 Ru1 68.4(7) . . ?
C32 C28 Ru1 129.9(10) . . ?
C30 C29 C28 123.1(12) . . ?
C30 C29 Ru1 73.8(7) . . ?
C28 C29 Ru1 73.6(7) . . ?
C30 C29 H29 118.4 . . ?
C28 C29 H29 118.4 . . ?
Ru1 C29 H29 126.1 . . ?
C25 C30 C29 120.4(11) . . ?
C25 C30 Ru1 73.0(6) . . ?
C29 C30 Ru1 68.3(6) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
Ru1 C30 H30 131.8 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C28 114.7(14) . . ?
C33 C32 C34 113.8(13) . . ?
C28 C32 C34 109.1(13) . . ?
C33 C32 H32 106.2 . . ?
C28 C32 H32 106.2 . . ?
C34 C32 H32 106.2 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N5 C35 C36 120.1(12) . . ?
N5 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
N4 C36 C37 123.9(12) . . ?
N4 C36 C35 112.1(11) . . ?
C37 C36 C35 124.0(13) . . ?
C38 C37 C36 117.4(14) . . ?
C38 C37 H37 121.3 . . ?
C36 C37 H37 121.3 . . ?
C39 C38 C37 118.8(13) . . ?
C39 C38 H38 120.6 . . ?
C37 C38 H38 120.6 . . ?
C38 C39 C40 121.9(14) . . ?
C38 C39 H39 119.1 . . ?
C40 C39 H39 119.1 . . ?
N4 C40 C39 121.0(14) . . ?
N4 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
C46 C41 C42 121.2(12) . . ?
C46 C41 N5 120.1(12) . . ?
C42 C41 N5 118.7(12) . . ?
C41 C42 C43 119.4(13) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C44 C43 C42 119.8(14) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C43 C44 C45 120.9(14) . . ?
C43 C44 N6 120.0(14) . . ?
C45 C44 N6 118.9(13) . . ?
C44 C45 C46 117.2(13) . . ?
C44 C45 H45 121.4 . . ?
C46 C45 H45 121.4 . . ?
C41 C46 C45 121.2(13) . . ?
C41 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
N6 C47 C48 115.8(17) . . ?
N6 C47 C52 124(2) . . ?
C48 C47 C52 121(2) . . ?
C47 C48 C49 120(3) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 H48 119.9 . . ?
C50 C49 C48 120(3) . . ?
C50 C49 H49 119.8 . . ?
C48 C49 H49 119.8 . . ?
C49 C50 C51 118(3) . . ?
C49 C50 H50 120.8 . . ?
C51 C50 H50 120.8 . . ?
C52 C51 C50 123(3) . . ?
C52 C51 H51 118.4 . . ?
C50 C51 H51 118.4 . . ?
C51 C52 C47 117(3) . . ?
C51 C52 H52 121.3 . . ?
C47 C52 H52 121.3 . . ?
C48' C47' N6 128(2) . . ?
C48' C47' C52' 119(3) . . ?
N6 C47' C52' 113(3) . . ?
C47' C48' C49' 116(4) . . ?
C47' C48' H48' 121.9 . . ?
C49' C48' H48' 121.9 . . ?
C50' C49' C48' 116(5) . . ?
C50' C49' H49' 121.8 . . ?
C48' C49' H49' 121.8 . . ?
C49' C50' C51' 133(5) . . ?
C49' C50' H50' 113.4 . . ?
C51' C50' H50' 113.4 . . ?
C52' C51' C50' 103(4) . . ?
C52' C51' H51' 128.4 . . ?
C50' C51' H51' 128.4 . . ?
C51' C52' C47' 130(4) . . ?
C51' C52' H52' 115.0 . . ?
C47' C52' H52' 115.0 . . ?
C58 C53 C54 119.0(16) . . ?
C58 C53 N6 119.5(14) . . ?
C54 C53 N6 121.5(14) . . ?
C53 C54 C55 123.9(18) . . ?
C53 C54 H54 118.0 . . ?
C55 C54 H54 118.0 . . ?
C54 C55 C56 114.9(19) . . ?
C54 C55 H55 122.5 . . ?
C56 C55 H55 122.5 . . ?
C55 C56 C57 123(2) . . ?
C55 C56 H56 118.5 . . ?
C57 C56 H56 118.5 . . ?
C58 C57 C56 119.2(19) . . ?
C58 C57 H57 120.4 . . ?
C56 C57 H57 120.4 . . ?
C53 C58 C57 120.0(18) . . ?
C53 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C60 C59 C64 117.9(14) . . ?
C60 C59 C65 120.0(16) . . ?
C64 C59 C65 122.0(16) . . ?
C60 C59 Ru2 69.6(8) . . ?
C64 C59 Ru2 69.4(8) . . ?
C65 C59 Ru2 130.3(10) . . ?
C61 C60 C59 120.7(14) . . ?
C61 C60 Ru2 70.4(8) . . ?
C59 C60 Ru2 74.3(8) . . ?
C61 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
Ru2 C60 H60 127.8 . . ?
C60 C61 C62 123.4(13) . . ?
C60 C61 Ru2 72.9(8) . . ?
C62 C61 Ru2 72.8(7) . . ?
C60 C61 H61 118.3 . . ?
C62 C61 H61 118.3 . . ?
Ru2 C61 H61 128.5 . . ?
C63 C62 C61 114.5(13) . . ?
C63 C62 C66' 140(2) . . ?
C61 C62 C66' 105.4(19) . . ?
C63 C62 C66 114.4(16) . . ?
C61 C62 C66 130.7(16) . . ?
C63 C62 Ru2 69.1(8) . . ?
C61 C62 Ru2 68.9(8) . . ?
C66' C62 Ru2 123.5(15) . . ?
C66 C62 Ru2 137.1(12) . . ?
C62 C63 C64 122.4(14) . . ?
C62 C63 Ru2 73.9(8) . . ?
C64 C63 Ru2 72.8(8) . . ?
C62 C63 H63 118.8 . . ?
C64 C63 H63 118.8 . . ?
Ru2 C63 H63 126.5 . . ?
C59 C64 C63 121.1(13) . . ?
C59 C64 Ru2 73.9(8) . . ?
C63 C64 Ru2 69.6(8) . . ?
C59 C64 H64 119.5 . . ?
C63 C64 H64 119.5 . . ?
Ru2 C64 H64 129.5 . . ?
C59 C65 H65A 109.5 . . ?
C59 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C59 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C62 C66 C68 109.9(17) . . ?
C62 C66 C67 109.5(16) . . ?
C68 C66 C67 113.5(17) . . ?
C62 C66 H66 107.9 . . ?
C68 C66 H66 107.9 . . ?
C67 C66 H66 107.9 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
Cl4 C69 Cl3 103(3) . . ?
Cl4 C69 H69A 111.2 . . ?
Cl3 C69 H69A 111.2 . . ?
Cl4 C69 H69B 111.2 . . ?
Cl3 C69 H69B 111.2 . . ?
H69A C69 H69B 109.1 . . ?
C62 C66' C68' 113(2) . . ?
C62 C66' C67' 112.8(19) . . ?
C68' C66' C67' 110(2) . . ?
C62 C66' H66' 106.7 . . ?
C68' C66' H66' 106.7 . . ?
C67' C66' H66' 106.7 . . ?
C66' C67' H67D 109.5 . . ?
C66' C67' H67E 109.5 . . ?
H67D C67' H67E 109.5 . . ?
C66' C67' H67F 109.5 . . ?
H67D C67' H67F 109.5 . . ?
H67E C67' H67F 109.5 . . ?
C66' C68' H68D 109.5 . . ?
C66' C68' H68E 109.5 . . ?
H68D C68' H68E 109.5 . . ?
C66' C68' H68F 109.5 . . ?
H68D C68' H68F 109.5 . . ?
H68E C68' H68F 109.5 . . ?
Cl3' C69' Cl4' 114(4) . . ?
Cl3' C69' H69C 108.7 . . ?
Cl4' C69' H69C 108.7 . . ?
Cl3' C69' H69D 108.7 . . ?
Cl4' C69' H69D 108.7 . . ?
H69C C69' H69D 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 N2 C1 C2 -177.4(9) . . . . ?
Ru1 N2 C1 C2 1.5(14) . . . . ?
C6 N1 C2 C3 2.0(18) . . . . ?
Ru1 N1 C2 C3 -177.5(10) . . . . ?
C6 N1 C2 C1 -177.3(10) . . . . ?
Ru1 N1 C2 C1 3.2(12) . . . . ?
N2 C1 C2 N1 -3.1(15) . . . . ?
N2 C1 C2 C3 177.6(12) . . . . ?
N1 C2 C3 C4 -0.4(19) . . . . ?
C1 C2 C3 C4 178.9(10) . . . . ?
C2 C3 C4 C5 -1.2(19) . . . . ?
C3 C4 C5 C6 1.1(19) . . . . ?
C2 N1 C6 C5 -2.1(17) . . . . ?
Ru1 N1 C6 C5 177.4(9) . . . . ?
C4 C5 C6 N1 0.5(18) . . . . ?
C1 N2 C7 C12 -143.2(12) . . . . ?
Ru1 N2 C7 C12 38.1(13) . . . . ?
C1 N2 C7 C8 40.5(16) . . . . ?
Ru1 N2 C7 C8 -138.2(10) . . . . ?
C12 C7 C8 C9 6.0(18) . . . . ?
N2 C7 C8 C9 -177.7(11) . . . . ?
C7 C8 C9 C10 -3.5(19) . . . . ?
C8 C9 C10 C11 0.1(19) . . . . ?
C8 C9 C10 N3 -176.6(12) . . . . ?
C13 N3 C10 C9 -30.8(18) . . . . ?
C19 N3 C10 C9 159.4(12) . . . . ?
C13 N3 C10 C11 152.5(12) . . . . ?
C19 N3 C10 C11 -17.3(17) . . . . ?
C9 C10 C11 C12 0.8(18) . . . . ?
N3 C10 C11 C12 177.6(11) . . . . ?
C8 C7 C12 C11 -5.0(17) . . . . ?
N2 C7 C12 C11 178.6(10) . . . . ?
C10 C11 C12 C7 1.7(18) . . . . ?
C10 N3 C13 C18 145.9(12) . . . . ?
C19 N3 C13 C18 -44.1(16) . . . . ?
C10 N3 C13 C14 -36.6(17) . . . . ?
C19 N3 C13 C14 133.4(13) . . . . ?
C18 C13 C14 C15 -1(2) . . . . ?
N3 C13 C14 C15 -178.2(12) . . . . ?
C13 C14 C15 C16 1(2) . . . . ?
C14 C15 C16 C17 0(3) . . . . ?
C15 C16 C17 C18 0(3) . . . . ?
N3 C13 C18 C17 178.1(12) . . . . ?
C14 C13 C18 C17 0.6(19) . . . . ?
C16 C17 C18 C13 0(2) . . . . ?
C10 N3 C19 C24 -62.3(17) . . . . ?
C13 N3 C19 C24 127.6(14) . . . . ?
C10 N3 C19 C20 117.2(13) . . . . ?
C13 N3 C19 C20 -53.0(16) . . . . ?
C24 C19 C20 C21 -1(2) . . . . ?
N3 C19 C20 C21 179.5(12) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C20 C21 C22 C23 1(3) . . . . ?
C21 C22 C23 C24 0(2) . . . . ?
C20 C19 C24 C23 1(2) . . . . ?
N3 C19 C24 C23 -179.0(13) . . . . ?
C22 C23 C24 C19 -1(2) . . . . ?
C30 C25 C26 C27 -1.0(18) . . . . ?
C31 C25 C26 C27 176.5(12) . . . . ?
Ru1 C25 C26 C27 53.0(11) . . . . ?
C30 C25 C26 Ru1 -53.9(9) . . . . ?
C31 C25 C26 Ru1 123.5(11) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
Ru1 C26 C27 C28 53.2(11) . . . . ?
C25 C26 C27 Ru1 -54.0(11) . . . . ?
C26 C27 C28 C29 0.1(18) . . . . ?
Ru1 C27 C28 C29 53.8(9) . . . . ?
C26 C27 C28 C32 -179.4(13) . . . . ?
Ru1 C27 C28 C32 -125.8(12) . . . . ?
C26 C27 C28 Ru1 -53.6(11) . . . . ?
C27 C28 C29 C30 2.2(18) . . . . ?
C32 C28 C29 C30 -178.3(12) . . . . ?
Ru1 C28 C29 C30 57.4(11) . . . . ?
C27 C28 C29 Ru1 -55.2(9) . . . . ?
C32 C28 C29 Ru1 124.4(13) . . . . ?
C26 C25 C30 C29 3.2(17) . . . . ?
C31 C25 C30 C29 -174.3(11) . . . . ?
Ru1 C25 C30 C29 -51.1(10) . . . . ?
C26 C25 C30 Ru1 54.3(10) . . . . ?
C31 C25 C30 Ru1 -123.2(11) . . . . ?
C28 C29 C30 C25 -4.0(18) . . . . ?
Ru1 C29 C30 C25 53.3(10) . . . . ?
C28 C29 C30 Ru1 -57.3(11) . . . . ?
C27 C28 C32 C33 140.3(14) . . . . ?
C29 C28 C32 C33 -39.2(19) . . . . ?
Ru1 C28 C32 C33 49.6(18) . . . . ?
C27 C28 C32 C34 -90.7(15) . . . . ?
C29 C28 C32 C34 89.8(17) . . . . ?
Ru1 C28 C32 C34 178.6(10) . . . . ?
C41 N5 C35 C36 -178.1(11) . . . . ?
Ru2 N5 C35 C36 -1.1(16) . . . . ?
C40 N4 C36 C37 4(2) . . . . ?
Ru2 N4 C36 C37 -176.9(11) . . . . ?
C40 N4 C36 C35 -175.8(12) . . . . ?
Ru2 N4 C36 C35 3.4(14) . . . . ?
N5 C35 C36 N4 -1.5(18) . . . . ?
N5 C35 C36 C37 178.8(13) . . . . ?
N4 C36 C37 C38 -1(2) . . . . ?
C35 C36 C37 C38 178.5(14) . . . . ?
C36 C37 C38 C39 -3(2) . . . . ?
C37 C38 C39 C40 5(3) . . . . ?
C36 N4 C40 C39 -2(2) . . . . ?
Ru2 N4 C40 C39 178.5(12) . . . . ?
C38 C39 C40 N4 -2(3) . . . . ?
C35 N5 C41 C46 -141.5(14) . . . . ?
Ru2 N5 C41 C46 41.9(16) . . . . ?
C35 N5 C41 C42 37.8(18) . . . . ?
Ru2 N5 C41 C42 -138.8(10) . . . . ?
C46 C41 C42 C43 -4(2) . . . . ?
N5 C41 C42 C43 176.9(13) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
C42 C43 C44 C45 4(3) . . . . ?
C42 C43 C44 N6 -171.9(14) . . . . ?
C47' N6 C44 C43 -138.4(17) . . . . ?
C47 N6 C44 C43 -138.4(17) . . . . ?
C53 N6 C44 C43 42(2) . . . . ?
C47' N6 C44 C45 45(2) . . . . ?
C47 N6 C44 C45 45(2) . . . . ?
C53 N6 C44 C45 -134.5(15) . . . . ?
C43 C44 C45 C46 -4(2) . . . . ?
N6 C44 C45 C46 172.1(13) . . . . ?
C42 C41 C46 C45 4(2) . . . . ?
N5 C41 C46 C45 -176.8(12) . . . . ?
C44 C45 C46 C41 0(2) . . . . ?
C53 N6 C47 C48 -146(3) . . . . ?
C44 N6 C47 C48 34(3) . . . . ?
C53 N6 C47 C52 31(3) . . . . ?
C44 N6 C47 C52 -148(2) . . . . ?
N6 C47 C48 C49 177(3) . . . . ?
C52 C47 C48 C49 -1(5) . . . . ?
C47 C48 C49 C50 0(6) . . . . ?
C48 C49 C50 C51 0(4) . . . . ?
C49 C50 C51 C52 0(5) . . . . ?
C50 C51 C52 C47 -1(5) . . . . ?
N6 C47 C52 C51 -176(2) . . . . ?
C48 C47 C52 C51 1(4) . . . . ?
C53 N6 C47' C48' -142(5) . . . . ?
C44 N6 C47' C48' 38(5) . . . . ?
C53 N6 C47' C52' 43(3) . . . . ?
C44 N6 C47' C52' -137(3) . . . . ?
N6 C47' C48' C49' 176(4) . . . . ?
C52' C47' C48' C49' -10(8) . . . . ?
C47' C48' C49' C50' 0(9) . . . . ?
C48' C49' C50' C51' 13(10) . . . . ?
C49' C50' C51' C52' -11(8) . . . . ?
C50' C51' C52' C47' -1(7) . . . . ?
C48' C47' C52' C51' 11(8) . . . . ?
N6 C47' C52' C51' -173(5) . . . . ?
C47' N6 C53 C58 -130.5(15) . . . . ?
C47 N6 C53 C58 -130.5(15) . . . . ?
C44 N6 C53 C58 49(2) . . . . ?
C47' N6 C53 C54 49(2) . . . . ?
C47 N6 C53 C54 49(2) . . . . ?
C44 N6 C53 C54 -131.0(15) . . . . ?
C58 C53 C54 C55 -2(3) . . . . ?
N6 C53 C54 C55 178.1(16) . . . . ?
C53 C54 C55 C56 2(3) . . . . ?
C54 C55 C56 C57 -2(3) . . . . ?
C55 C56 C57 C58 2(3) . . . . ?
C54 C53 C58 C57 3(2) . . . . ?
N6 C53 C58 C57 -177.6(15) . . . . ?
C56 C57 C58 C53 -3(3) . . . . ?
C64 C59 C60 C61 4(2) . . . . ?
C65 C59 C60 C61 -179.3(13) . . . . ?
Ru2 C59 C60 C61 55.1(12) . . . . ?
C64 C59 C60 Ru2 -51.6(11) . . . . ?
C65 C59 C60 Ru2 125.6(13) . . . . ?
C59 C60 C61 C62 -2(2) . . . . ?
Ru2 C60 C61 C62 55.0(12) . . . . ?
C59 C60 C61 Ru2 -57.0(12) . . . . ?
C60 C61 C62 C63 -2(2) . . . . ?
Ru2 C61 C62 C63 53.5(11) . . . . ?
C60 C61 C62 C66' -175.6(18) . . . . ?
Ru2 C61 C62 C66' -120.5(15) . . . . ?
C60 C61 C62 C66 170.2(18) . . . . ?
Ru2 C61 C62 C66 -134.8(18) . . . . ?
C60 C61 C62 Ru2 -55.0(13) . . . . ?
C61 C62 C63 C64 3.5(19) . . . . ?
C66' C62 C63 C64 175(2) . . . . ?
C66 C62 C63 C64 -169.6(15) . . . . ?
Ru2 C62 C63 C64 56.8(12) . . . . ?
C61 C62 C63 Ru2 -53.4(11) . . . . ?
C66' C62 C63 Ru2 118(2) . . . . ?
C66 C62 C63 Ru2 133.5(14) . . . . ?
C60 C59 C64 C63 -2(2) . . . . ?
C65 C59 C64 C63 -178.7(13) . . . . ?
Ru2 C59 C64 C63 -53.3(12) . . . . ?
C60 C59 C64 Ru2 51.7(11) . . . . ?
C65 C59 C64 Ru2 -125.4(13) . . . . ?
C62 C63 C64 C59 -2(2) . . . . ?
Ru2 C63 C64 C59 55.3(12) . . . . ?
C62 C63 C64 Ru2 -57.3(12) . . . . ?
C63 C62 C66 C68 -63(2) . . . . ?
C61 C62 C66 C68 125(2) . . . . ?
Ru2 C62 C66 C68 22(3) . . . . ?
C63 C62 C66 C67 171.7(19) . . . . ?
C61 C62 C66 C67 0(3) . . . . ?
Ru2 C62 C66 C67 -103(2) . . . . ?
C63 C62 C66' C68' -32(4) . . . . ?
C61 C62 C66' C68' 139(3) . . . . ?
Ru2 C62 C66' C68' 65(3) . . . . ?
C63 C62 C66' C67' 94(4) . . . . ?
C61 C62 C66' C67' -95(3) . . . . ?
Ru2 C62 C66' C67' -169(3) . . . . ?

_refine_diff_density_max         0.883
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.076

