# 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_sm16
_database_code_depnum_ccdc_archive 'CCDC 1987941'
loop_
_audit_author_name
_audit_author_address
'Stanislav Bezzubov'
;Kurnakov Institute of General and Inorganic Chemistry of Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-03-03 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_audit_creation_date             2020-03-03
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
bezzubov@igic.ras.ru
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H42 N7 O8 Ru, C H2 Cl2, F6 P'
_chemical_formula_sum            'C50 H44 Cl2 F6 N7 O8 P Ru'
_chemical_formula_weight         1187.86
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3865(4)
_cell_length_b                   14.9295(5)
_cell_length_c                   18.3394(6)
_cell_angle_alpha                77.5950(10)
_cell_angle_beta                 84.1060(10)
_cell_angle_gamma                77.8560(10)
_cell_volume                     2971.28(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   0.915
_shelx_estimated_absorpt_T_min   0.865
_exptl_absorpt_coefficient_mu    0.452
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0594 before and 0.0446 after correction.
The Ratio of minimum to maximum transmission is 0.8057.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36788
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.689
_diffrn_reflns_theta_min         1.833
_diffrn_ambient_temperature      150
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13814
_reflns_number_total             18004
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing.bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.873
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         18004
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0613
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0732P)²+2.3612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1412
_refine_ls_wR_factor_ref         0.1510
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C50(H50A,H50B)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C27(H27), C22(H22), C41(H41), C2(H2), C44(H44), C23(H23), C30(H30),
 C49(H49), C36(H36), C6(H6), C34(H34), C35(H35), C37(H37), C48(H48), C11(H11),
 C17(H17), C20(H20), C12(H12), C18(H18), C14(H14), C19(H19), C15(H15), C13(H13)
2.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C33(H33A,H33B,H33C), C26(H26A,H26B,H26C), C5(H5A,H5B,H5C),
 C40(H40A,H40B,H40C), C47(H47A,H47B,H47C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.34375(2) 0.34962(2) 0.27740(2) 0.01511(6) Uani 1 1 d . . . . .
Cl1 Cl 0.97071(8) 0.30310(6) 0.43954(5) 0.03551(19) Uani 1 1 d . . . . .
P1 P 0.11961(8) 0.77425(6) 0.23967(5) 0.03071(19) Uani 1 1 d . . . . .
Cl2 Cl 0.83127(9) 0.32439(8) 0.30943(6) 0.0469(2) Uani 1 1 d . . . . .
O4 O -0.21322(18) 0.63744(15) 0.32879(12) 0.0253(5) Uani 1 1 d . . . . .
O1 O -0.14898(19) 0.42157(16) 0.05472(12) 0.0263(5) Uani 1 1 d . . . . .
O2 O 0.0002(2) 0.35993(17) -0.02123(12) 0.0272(5) Uani 1 1 d . . . . .
O5 O 0.7950(2) 0.60665(16) 0.15013(13) 0.0301(5) Uani 1 1 d . . . . .
N6 N 0.4888(2) 0.27698(17) 0.22874(13) 0.0190(5) Uani 1 1 d . . . . .
O3 O -0.1430(2) 0.63515(16) 0.43958(12) 0.0272(5) Uani 1 1 d . . . . .
F1 F 0.1460(2) 0.66585(15) 0.23461(15) 0.0479(6) Uani 1 1 d . . . . .
O7 O 0.8883(2) 0.18497(18) 0.09142(15) 0.0386(6) Uani 1 1 d . . . . .
N5 N 0.4399(2) 0.45150(17) 0.23656(13) 0.0177(5) Uani 1 1 d . . . . .
O6 O 0.6445(2) 0.72527(16) 0.16866(15) 0.0337(5) Uani 1 1 d . . . . .
N3 N 0.19114(19) 0.43204(16) 0.31495(13) 0.0164(4) Uani 1 1 d . . . . .
O8 O 0.8162(2) 0.05288(18) 0.12822(15) 0.0390(6) Uani 1 1 d . . . . .
F2 F 0.2524(2) 0.76352(19) 0.26645(16) 0.0577(7) Uani 1 1 d . . . . .
N2 N 0.2583(2) 0.12305(17) 0.43584(15) 0.0223(5) Uani 1 1 d . . . . .
N4 N 0.2307(2) 0.37742(17) 0.18672(14) 0.0200(5) Uani 1 1 d . . . . .
N1 N 0.2743(2) 0.23098(17) 0.33209(14) 0.0191(5) Uani 1 1 d . . . . .
F3 F 0.1697(3) 0.7987(2) 0.15554(14) 0.0676(8) Uani 1 1 d . . . . .
F5 F -0.0121(2) 0.78268(19) 0.21374(19) 0.0659(8) Uani 1 1 d . . . . .
N7 N 0.6483(2) 0.3739(2) 0.48837(15) 0.0277(6) Uani 1 1 d . . . . .
F4 F 0.0919(2) 0.88122(16) 0.24257(17) 0.0611(7) Uani 1 1 d . . . . .
C7 C 0.4548(2) 0.2034(2) 0.49486(17) 0.0206(6) Uani 1 1 d . . . . .
H7 H 0.435453 0.149042 0.527397 0.025 Uiso 1 1 calc R U . . .
F6 F 0.0693(3) 0.7487(2) 0.32421(16) 0.0728(8) Uani 1 1 d . . . . .
C42 C 0.5524(2) 0.4224(2) 0.20589(15) 0.0172(5) Uani 1 1 d . . . . .
C8 C 0.3981(2) 0.23760(19) 0.42803(16) 0.0176(5) Uani 1 1 d . . . . .
C32 C -0.0445(3) 0.3940(2) 0.03904(16) 0.0218(6) Uani 1 1 d . . . . .
C27 C -0.0098(2) 0.51691(19) 0.28858(16) 0.0182(5) Uani 1 1 d . . . . .
H27 H -0.073969 0.535154 0.255933 0.022 Uiso 1 1 calc R U . . .
C22 C 0.1773(2) 0.4615(2) 0.38091(15) 0.0185(5) Uani 1 1 d . . . . .
H22 H 0.241295 0.441352 0.413709 0.022 Uiso 1 1 calc R U . . .
C3 C 0.5669(2) 0.3284(2) 0.46765(16) 0.0203(6) Uani 1 1 d . . . . .
C16 C 0.1857(3) 0.1081(2) 0.38419(19) 0.0252(6) Uani 1 1 d . . . . .
C43 C 0.5791(2) 0.3243(2) 0.19904(15) 0.0177(5) Uani 1 1 d . . . . .
C1 C 0.4281(2) 0.31717(19) 0.37659(16) 0.0171(5) Uani 1 1 d . . . . .
C9 C 0.3101(2) 0.19737(19) 0.40137(17) 0.0190(5) Uani 1 1 d . . . . .
C41 C 0.6328(2) 0.4821(2) 0.18316(15) 0.0192(5) Uani 1 1 d . . . . .
H41 H 0.710347 0.459909 0.161974 0.023 Uiso 1 1 calc R U . . .
C31 C 0.0545(2) 0.3920(2) 0.08790(16) 0.0199(5) Uani 1 1 d . . . . .
C2 C 0.5114(2) 0.3614(2) 0.39890(16) 0.0184(5) Uani 1 1 d . . . . .
H2 H 0.531371 0.415616 0.366567 0.022 Uiso 1 1 calc R U . . .
C25 C -0.1303(3) 0.6119(2) 0.37985(17) 0.0207(6) Uani 1 1 d . . . . .
C29 C 0.1159(2) 0.4219(2) 0.20013(15) 0.0173(5) Uani 1 1 d . . . . .
C24 C -0.0205(2) 0.54838(19) 0.35542(16) 0.0177(5) Uani 1 1 d . . . . .
C44 C 0.6828(2) 0.2819(2) 0.16390(15) 0.0189(5) Uani 1 1 d . . . . .
H44 H 0.744314 0.316083 0.143973 0.023 Uiso 1 1 calc R U . . .
C23 C 0.0747(2) 0.5194(2) 0.40228(16) 0.0201(5) Uani 1 1 d . . . . .
H23 H 0.068906 0.539324 0.448566 0.024 Uiso 1 1 calc R U . . .
C30 C 0.0261(2) 0.4294(2) 0.15210(15) 0.0189(5) Uani 1 1 d . . . . .
H30 H -0.053838 0.459707 0.163006 0.023 Uiso 1 1 calc R U . . .
C49 C 0.5026(3) 0.1870(2) 0.22121(17) 0.0223(6) Uani 1 1 d . . . . .
H49 H 0.440105 0.153763 0.240912 0.027 Uiso 1 1 calc R U . . .
C38 C 0.6000(2) 0.5746(2) 0.19135(16) 0.0198(5) Uani 1 1 d . . . . .
C36 C 0.4072(2) 0.5429(2) 0.24268(16) 0.0186(5) Uani 1 1 d . . . . .
H36 H 0.328484 0.564421 0.262549 0.022 Uiso 1 1 calc R U . . .
C45 C 0.6966(3) 0.1894(2) 0.15793(16) 0.0211(6) Uani 1 1 d . . . . .
C6 C 0.5389(3) 0.2472(2) 0.51474(17) 0.0213(6) Uani 1 1 d . . . . .
H6 H 0.577779 0.222280 0.560212 0.026 Uiso 1 1 calc R U . . .
C34 C 0.1735(3) 0.3514(2) 0.07182(17) 0.0245(6) Uani 1 1 d . . . . .
H34 H 0.196277 0.328838 0.026770 0.029 Uiso 1 1 calc R U . . .
C46 C 0.8105(3) 0.1446(2) 0.12148(17) 0.0272(7) Uani 1 1 d . . . . .
C21 C 0.1965(3) 0.1760(2) 0.31971(18) 0.0233(6) Uani 1 1 d . . . . .
C35 C 0.2576(3) 0.3448(2) 0.12276(17) 0.0253(6) Uani 1 1 d . . . . .
H35 H 0.338398 0.315756 0.112244 0.030 Uiso 1 1 calc R U . . .
C37 C 0.4843(2) 0.6056(2) 0.22108(17) 0.0215(6) Uani 1 1 d . . . . .
H37 H 0.458864 0.668766 0.226408 0.026 Uiso 1 1 calc R U . . .
C28 C 0.0957(2) 0.45855(19) 0.27022(15) 0.0169(5) Uani 1 1 d . . . . .
C48 C 0.6032(3) 0.1418(2) 0.18628(17) 0.0240(6) Uani 1 1 d . . . . .
H48 H 0.609221 0.078883 0.181475 0.029 Uiso 1 1 calc R U . . .
C39 C 0.6911(3) 0.6360(2) 0.16782(17) 0.0237(6) Uani 1 1 d . . . . .
C10 C 0.2565(3) 0.0790(2) 0.51343(18) 0.0239(6) Uani 1 1 d . . . . .
C11 C 0.1955(3) 0.1281(2) 0.56617(18) 0.0258(6) Uani 1 1 d . . . . .
H11 H 0.156410 0.191353 0.551207 0.031 Uiso 1 1 calc R U . . .
C4 C 0.6586(3) 0.4671(2) 0.4480(2) 0.0335(8) Uani 1 1 d . . . . .
H4A H 0.689570 0.464495 0.396474 0.050 Uiso 1 1 calc R U . . .
H4B H 0.713931 0.491526 0.472662 0.050 Uiso 1 1 calc R U . . .
H4C H 0.579209 0.508276 0.447596 0.050 Uiso 1 1 calc R U . . .
C33 C -0.0865(3) 0.3508(3) -0.07061(18) 0.0330(8) Uani 1 1 d . . . . .
H33A H -0.044705 0.337626 -0.117718 0.050 Uiso 1 1 calc R U . . .
H33B H -0.145870 0.409215 -0.080775 0.050 Uiso 1 1 calc R U . . .
H33C H -0.127325 0.299476 -0.046694 0.050 Uiso 1 1 calc R U . . .
C17 C 0.1163(3) 0.0400(2) 0.3910(2) 0.0326(7) Uani 1 1 d . . . . .
H17 H 0.110349 -0.005212 0.435728 0.039 Uiso 1 1 calc R U . . .
C20 C 0.1334(3) 0.1775(2) 0.2582(2) 0.0294(7) Uani 1 1 d . . . . .
H20 H 0.137101 0.223736 0.213836 0.035 Uiso 1 1 calc R U . . .
C12 C 0.1915(3) 0.0851(3) 0.6405(2) 0.0342(8) Uani 1 1 d . . . . .
H12 H 0.149841 0.118478 0.677082 0.041 Uiso 1 1 calc R U . . .
C26 C -0.3228(3) 0.6982(2) 0.3508(2) 0.0331(8) Uani 1 1 d . . . . .
H26A H -0.385060 0.703022 0.316259 0.050 Uiso 1 1 calc R U . . .
H26B H -0.306295 0.760416 0.349216 0.050 Uiso 1 1 calc R U . . .
H26C H -0.350667 0.671942 0.401698 0.050 Uiso 1 1 calc R U . . .
C18 C 0.0564(3) 0.0422(3) 0.3285(2) 0.0382(9) Uani 1 1 d . . . . .
H18 H 0.008536 -0.003246 0.330128 0.046 Uiso 1 1 calc R U . . .
C14 C 0.3082(4) -0.0574(3) 0.6089(3) 0.0495(11) Uani 1 1 d . . . . .
H14 H 0.345576 -0.121128 0.623844 0.059 Uiso 1 1 calc R U . . .
C19 C 0.0644(3) 0.1087(3) 0.2638(2) 0.0362(8) Uani 1 1 d . . . . .
H19 H 0.021955 0.107665 0.222135 0.043 Uiso 1 1 calc R U . . .
C50 C 0.8793(3) 0.2522(3) 0.3951(2) 0.0335(7) Uani 1 1 d . . . . .
H50A H 0.807955 0.240620 0.428725 0.040 Uiso 1 1 calc R U . . .
H50B H 0.924872 0.191146 0.385640 0.040 Uiso 1 1 calc R U . . .
C15 C 0.3131(3) -0.0141(2) 0.5341(2) 0.0378(8) Uani 1 1 d . . . . .
H15 H 0.354546 -0.047495 0.497490 0.045 Uiso 1 1 calc R U . . .
C13 C 0.2488(3) -0.0076(3) 0.6616(2) 0.0456(10) Uani 1 1 d . . . . .
H13 H 0.247106 -0.037037 0.712941 0.055 Uiso 1 1 calc R U . . .
C5 C 0.6924(3) 0.3450(3) 0.5623(2) 0.0380(8) Uani 1 1 d . . . . .
H5A H 0.624936 0.353464 0.599542 0.057 Uiso 1 1 calc R U . . .
H5B H 0.750382 0.383022 0.567555 0.057 Uiso 1 1 calc R U . . .
H5C H 0.731887 0.279013 0.570195 0.057 Uiso 1 1 calc R U . . .
C40 C 0.7308(4) 0.7871(3) 0.1488(3) 0.0484(11) Uani 1 1 d . . . . .
H40A H 0.767091 0.783551 0.098423 0.073 Uiso 1 1 calc R U . . .
H40B H 0.793871 0.767980 0.184687 0.073 Uiso 1 1 calc R U . . .
H40C H 0.689623 0.851466 0.149894 0.073 Uiso 1 1 calc R U . . .
C47 C 0.9247(4) 0.0032(3) 0.0948(3) 0.0536(12) Uani 1 1 d . . . . .
H47A H 0.930262 0.028261 0.040858 0.080 Uiso 1 1 calc R U . . .
H47B H 0.921826 -0.063426 0.103543 0.080 Uiso 1 1 calc R U . . .
H47C H 0.995130 0.011255 0.117394 0.080 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 N6 2.015(2) . ?
Ru1 N5 2.029(2) . ?
Ru1 N3 2.056(2) . ?
Ru1 N4 2.124(2) . ?
Ru1 N1 2.105(2) . ?
Ru1 C1 2.061(3) . ?
Cl1 C50 1.760(3) . ?
P1 F1 1.604(2) . ?
P1 F2 1.603(2) . ?
P1 F3 1.582(3) . ?
P1 F5 1.591(3) . ?
P1 F4 1.573(2) . ?
P1 F6 1.591(3) . ?
Cl2 C50 1.770(4) . ?
O4 C25 1.338(4) . ?
O4 C26 1.455(4) . ?
O1 C32 1.201(4) . ?
O2 C32 1.325(4) . ?
O2 C33 1.451(4) . ?
O5 C39 1.209(4) . ?
N6 C43 1.370(4) . ?
N6 C49 1.354(4) . ?
O3 C25 1.204(4) . ?
O7 C46 1.198(4) . ?
N5 C42 1.367(3) . ?
N5 C36 1.362(4) . ?
O6 C39 1.330(4) . ?
O6 C40 1.454(4) . ?
N3 C22 1.357(3) . ?
N3 C28 1.368(3) . ?
O8 C46 1.336(4) . ?
O8 C47 1.451(4) . ?
N2 C16 1.400(4) . ?
N2 C9 1.369(4) . ?
N2 C10 1.434(4) . ?
N4 C29 1.360(3) . ?
N4 C35 1.348(4) . ?
N1 C9 1.334(4) . ?
N1 C21 1.392(3) . ?
N7 C3 1.383(3) . ?
N7 C4 1.452(4) . ?
N7 C5 1.440(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.391(4) . ?
C7 C6 1.384(4) . ?
C42 C43 1.461(4) . ?
C42 C41 1.383(4) . ?
C8 C1 1.429(4) . ?
C8 C9 1.444(4) . ?
C32 C31 1.503(4) . ?
C27 H27 0.9500 . ?
C27 C24 1.390(4) . ?
C27 C28 1.385(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.375(4) . ?
C3 C2 1.414(4) . ?
C3 C6 1.405(4) . ?
C16 C21 1.396(5) . ?
C16 C17 1.392(4) . ?
C43 C44 1.385(4) . ?
C1 C2 1.401(4) . ?
C41 H41 0.9500 . ?
C41 C38 1.388(4) . ?
C31 C30 1.390(4) . ?
C31 C34 1.392(4) . ?
C2 H2 0.9500 . ?
C25 C24 1.494(4) . ?
C29 C30 1.388(4) . ?
C29 C28 1.481(4) . ?
C24 C23 1.391(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.384(4) . ?
C23 H23 0.9500 . ?
C30 H30 0.9500 . ?
C49 H49 0.9500 . ?
C49 C48 1.374(4) . ?
C38 C37 1.397(4) . ?
C38 C39 1.497(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.385(4) . ?
C45 C46 1.492(4) . ?
C45 C48 1.396(4) . ?
C6 H6 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.380(4) . ?
C21 C20 1.392(4) . ?
C35 H35 0.9500 . ?
C37 H37 0.9500 . ?
C48 H48 0.9500 . ?
C10 C11 1.381(5) . ?
C10 C15 1.393(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.377(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C17 H17 0.9500 . ?
C17 C18 1.382(5) . ?
C20 H20 0.9500 . ?
C20 C19 1.401(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.390(5) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C18 H18 0.9500 . ?
C18 C19 1.383(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(6) . ?
C14 C13 1.382(6) . ?
C19 H19 0.9500 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C15 H15 0.9500 . ?
C13 H13 0.9500 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?

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
N6 Ru1 N5 79.27(10) . . ?
N6 Ru1 N3 173.45(9) . . ?
N6 Ru1 N4 96.84(9) . . ?
N6 Ru1 N1 94.96(9) . . ?
N6 Ru1 C1 90.14(10) . . ?
N5 Ru1 N3 98.01(9) . . ?
N5 Ru1 N4 97.28(9) . . ?
N5 Ru1 N1 168.55(9) . . ?
N5 Ru1 C1 90.68(10) . . ?
N3 Ru1 N4 77.51(9) . . ?
N3 Ru1 N1 88.73(9) . . ?
N3 Ru1 C1 95.88(10) . . ?
N1 Ru1 N4 93.20(9) . . ?
C1 Ru1 N4 170.25(9) . . ?
C1 Ru1 N1 79.37(10) . . ?
F2 P1 F1 90.54(13) . . ?
F3 P1 F1 89.33(15) . . ?
F3 P1 F2 89.46(17) . . ?
F3 P1 F5 91.02(18) . . ?
F3 P1 F6 179.48(16) . . ?
F5 P1 F1 88.40(13) . . ?
F5 P1 F2 178.83(16) . . ?
F5 P1 F6 88.92(18) . . ?
F4 P1 F1 178.41(16) . . ?
F4 P1 F2 90.67(14) . . ?
F4 P1 F3 89.65(16) . . ?
F4 P1 F5 90.40(14) . . ?
F4 P1 F6 90.87(17) . . ?
F6 P1 F1 90.16(16) . . ?
F6 P1 F2 90.59(17) . . ?
C25 O4 C26 114.2(2) . . ?
C32 O2 C33 116.3(2) . . ?
C43 N6 Ru1 116.50(19) . . ?
C49 N6 Ru1 125.61(19) . . ?
C49 N6 C43 117.9(2) . . ?
C42 N5 Ru1 115.57(19) . . ?
C36 N5 Ru1 126.34(18) . . ?
C36 N5 C42 117.8(2) . . ?
C39 O6 C40 114.3(3) . . ?
C22 N3 Ru1 125.08(18) . . ?
C22 N3 C28 117.5(2) . . ?
C28 N3 Ru1 117.41(18) . . ?
C46 O8 C47 115.2(3) . . ?
C16 N2 C10 124.0(2) . . ?
C9 N2 C16 106.9(2) . . ?
C9 N2 C10 128.1(2) . . ?
C29 N4 Ru1 115.23(18) . . ?
C35 N4 Ru1 126.1(2) . . ?
C35 N4 C29 118.1(2) . . ?
C9 N1 Ru1 113.51(18) . . ?
C9 N1 C21 106.9(2) . . ?
C21 N1 Ru1 139.6(2) . . ?
C3 N7 C4 119.9(3) . . ?
C3 N7 C5 119.7(3) . . ?
C5 N7 C4 117.2(3) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 121.1(3) . . ?
N5 C42 C43 114.5(2) . . ?
N5 C42 C41 121.9(3) . . ?
C41 C42 C43 123.6(2) . . ?
C7 C8 C1 120.9(2) . . ?
C7 C8 C9 125.9(3) . . ?
C1 C8 C9 113.2(2) . . ?
O1 C32 O2 126.3(3) . . ?
O1 C32 C31 123.3(3) . . ?
O2 C32 C31 110.4(2) . . ?
C24 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C28 C27 C24 119.1(3) . . ?
N3 C22 H22 118.6 . . ?
N3 C22 C23 122.8(2) . . ?
C23 C22 H22 118.6 . . ?
N7 C3 C2 121.2(3) . . ?
N7 C3 C6 120.2(3) . . ?
C6 C3 C2 118.6(2) . . ?
C21 C16 N2 106.3(2) . . ?
C17 C16 N2 129.7(3) . . ?
C17 C16 C21 124.0(3) . . ?
N6 C43 C42 113.7(2) . . ?
N6 C43 C44 121.7(3) . . ?
C44 C43 C42 124.6(2) . . ?
C8 C1 Ru1 114.59(19) . . ?
C2 C1 Ru1 128.7(2) . . ?
C2 C1 C8 116.7(2) . . ?
N2 C9 C8 129.4(3) . . ?
N1 C9 N2 111.4(2) . . ?
N1 C9 C8 119.1(2) . . ?
C42 C41 H41 120.0 . . ?
C42 C41 C38 119.9(3) . . ?
C38 C41 H41 120.0 . . ?
C30 C31 C32 119.1(3) . . ?
C30 C31 C34 119.0(3) . . ?
C34 C31 C32 121.9(3) . . ?
C3 C2 H2 118.7 . . ?
C1 C2 C3 122.5(3) . . ?
C1 C2 H2 118.7 . . ?
O4 C25 C24 112.2(2) . . ?
O3 C25 O4 124.4(3) . . ?
O3 C25 C24 123.4(3) . . ?
N4 C29 C30 121.7(2) . . ?
N4 C29 C28 114.3(2) . . ?
C30 C29 C28 123.9(2) . . ?
C27 C24 C25 123.0(3) . . ?
C27 C24 C23 118.9(3) . . ?
C23 C24 C25 118.1(3) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.7(3) . . ?
C45 C44 H44 120.1 . . ?
C22 C23 C24 119.3(3) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C31 C30 H30 120.4 . . ?
C29 C30 C31 119.3(3) . . ?
C29 C30 H30 120.4 . . ?
N6 C49 H49 118.6 . . ?
N6 C49 C48 122.8(3) . . ?
C48 C49 H49 118.6 . . ?
C41 C38 C37 118.6(3) . . ?
C41 C38 C39 118.0(3) . . ?
C37 C38 C39 123.3(3) . . ?
N5 C36 H36 118.7 . . ?
N5 C36 C37 122.6(3) . . ?
C37 C36 H36 118.7 . . ?
C44 C45 C46 118.6(3) . . ?
C44 C45 C48 118.6(3) . . ?
C48 C45 C46 122.7(3) . . ?
C7 C6 C3 120.0(3) . . ?
C7 C6 H6 120.0 . . ?
C3 C6 H6 120.0 . . ?
C31 C34 H34 120.7 . . ?
C35 C34 C31 118.5(3) . . ?
C35 C34 H34 120.7 . . ?
O7 C46 O8 124.1(3) . . ?
O7 C46 C45 124.5(3) . . ?
O8 C46 C45 111.3(3) . . ?
N1 C21 C16 108.6(3) . . ?
C20 C21 N1 132.5(3) . . ?
C20 C21 C16 118.9(3) . . ?
N4 C35 C34 123.2(3) . . ?
N4 C35 H35 118.4 . . ?
C34 C35 H35 118.4 . . ?
C38 C37 H37 120.5 . . ?
C36 C37 C38 119.0(3) . . ?
C36 C37 H37 120.5 . . ?
N3 C28 C27 122.3(2) . . ?
N3 C28 C29 114.6(2) . . ?
C27 C28 C29 123.0(2) . . ?
C49 C48 C45 119.3(3) . . ?
C49 C48 H48 120.4 . . ?
C45 C48 H48 120.4 . . ?
O5 C39 O6 124.5(3) . . ?
O5 C39 C38 123.1(3) . . ?
O6 C39 C38 112.4(3) . . ?
C11 C10 N2 119.9(3) . . ?
C11 C10 C15 120.9(3) . . ?
C15 C10 N2 119.2(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.8(3) . . ?
C12 C11 H11 120.1 . . ?
N7 C4 H4A 109.5 . . ?
N7 C4 H4B 109.5 . . ?
N7 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2 C33 H33A 109.5 . . ?
O2 C33 H33B 109.5 . . ?
O2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C16 C17 H17 122.1 . . ?
C18 C17 C16 115.8(3) . . ?
C18 C17 H17 122.1 . . ?
C21 C20 H20 121.1 . . ?
C21 C20 C19 117.7(3) . . ?
C19 C20 H20 121.1 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.5(4) . . ?
C13 C12 H12 120.3 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C17 C18 H18 119.1 . . ?
C19 C18 C17 121.8(3) . . ?
C19 C18 H18 119.1 . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.7(4) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 C20 121.7(3) . . ?
C18 C19 H19 119.2 . . ?
Cl1 C50 Cl2 111.9(2) . . ?
Cl1 C50 H50A 109.2 . . ?
Cl1 C50 H50B 109.2 . . ?
Cl2 C50 H50A 109.2 . . ?
Cl2 C50 H50B 109.2 . . ?
H50A C50 H50B 107.9 . . ?
C10 C15 H15 120.4 . . ?
C14 C15 C10 119.1(4) . . ?
C14 C15 H15 120.4 . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.9(4) . . ?
C14 C13 H13 119.6 . . ?
N7 C5 H5A 109.5 . . ?
N7 C5 H5B 109.5 . . ?
N7 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O6 C40 H40A 109.5 . . ?
O6 C40 H40B 109.5 . . ?
O6 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
O8 C47 H47A 109.5 . . ?
O8 C47 H47B 109.5 . . ?
O8 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N6 C43 C42 -1.8(3) . . . . ?
Ru1 N6 C43 C44 -179.7(2) . . . . ?
Ru1 N6 C49 C48 178.9(2) . . . . ?
Ru1 N5 C42 C43 7.4(3) . . . . ?
Ru1 N5 C42 C41 -173.0(2) . . . . ?
Ru1 N5 C36 C37 172.0(2) . . . . ?
Ru1 N3 C22 C23 177.7(2) . . . . ?
Ru1 N3 C28 C27 -177.5(2) . . . . ?
Ru1 N3 C28 C29 1.0(3) . . . . ?
Ru1 N4 C29 C30 -167.9(2) . . . . ?
Ru1 N4 C29 C28 10.7(3) . . . . ?
Ru1 N4 C35 C34 168.2(2) . . . . ?
Ru1 N1 C9 N2 177.19(18) . . . . ?
Ru1 N1 C9 C8 -6.0(3) . . . . ?
Ru1 N1 C21 C16 -176.6(2) . . . . ?
Ru1 N1 C21 C20 3.8(5) . . . . ?
Ru1 C1 C2 C3 -176.7(2) . . . . ?
O4 C25 C24 C27 -2.7(4) . . . . ?
O4 C25 C24 C23 177.6(2) . . . . ?
O1 C32 C31 C30 -4.4(4) . . . . ?
O1 C32 C31 C34 173.8(3) . . . . ?
O2 C32 C31 C30 176.7(3) . . . . ?
O2 C32 C31 C34 -5.1(4) . . . . ?
N6 C43 C44 C45 0.3(4) . . . . ?
N6 C49 C48 C45 0.9(5) . . . . ?
O3 C25 C24 C27 175.6(3) . . . . ?
O3 C25 C24 C23 -4.1(4) . . . . ?
N5 C42 C43 N6 -3.6(3) . . . . ?
N5 C42 C43 C44 174.2(2) . . . . ?
N5 C42 C41 C38 0.1(4) . . . . ?
N5 C36 C37 C38 0.4(4) . . . . ?
N3 C22 C23 C24 1.0(4) . . . . ?
N2 C16 C21 N1 0.1(3) . . . . ?
N2 C16 C21 C20 179.7(3) . . . . ?
N2 C16 C17 C18 -178.3(3) . . . . ?
N2 C10 C11 C12 178.5(3) . . . . ?
N2 C10 C15 C14 -178.0(3) . . . . ?
N4 C29 C30 C31 -1.2(4) . . . . ?
N4 C29 C28 N3 -7.8(4) . . . . ?
N4 C29 C28 C27 170.7(3) . . . . ?
N1 C21 C20 C19 178.0(3) . . . . ?
N7 C3 C2 C1 -179.6(3) . . . . ?
N7 C3 C6 C7 178.1(3) . . . . ?
C7 C8 C1 Ru1 175.2(2) . . . . ?
C7 C8 C1 C2 -3.6(4) . . . . ?
C7 C8 C9 N2 4.4(5) . . . . ?
C7 C8 C9 N1 -171.8(3) . . . . ?
C42 N5 C36 C37 -1.8(4) . . . . ?
C42 C43 C44 C45 -177.3(3) . . . . ?
C42 C41 C38 C37 -1.5(4) . . . . ?
C42 C41 C38 C39 178.4(3) . . . . ?
C8 C7 C6 C3 1.0(4) . . . . ?
C8 C1 C2 C3 1.9(4) . . . . ?
C32 C31 C30 C29 175.6(3) . . . . ?
C32 C31 C34 C35 -174.3(3) . . . . ?
C27 C24 C23 C22 0.9(4) . . . . ?
C22 N3 C28 C27 3.0(4) . . . . ?
C22 N3 C28 C29 -178.4(2) . . . . ?
C16 N2 C9 N1 0.7(3) . . . . ?
C16 N2 C9 C8 -175.7(3) . . . . ?
C16 N2 C10 C11 -101.3(3) . . . . ?
C16 N2 C10 C15 76.4(4) . . . . ?
C16 C21 C20 C19 -1.6(5) . . . . ?
C16 C17 C18 C19 -0.7(5) . . . . ?
C43 N6 C49 C48 0.9(4) . . . . ?
C43 C42 C41 C38 179.7(3) . . . . ?
C43 C44 C45 C46 -178.5(3) . . . . ?
C43 C44 C45 C48 1.5(4) . . . . ?
C1 C8 C9 N2 -178.2(3) . . . . ?
C1 C8 C9 N1 5.6(4) . . . . ?
C9 N2 C16 C21 -0.5(3) . . . . ?
C9 N2 C16 C17 178.4(3) . . . . ?
C9 N2 C10 C11 65.5(4) . . . . ?
C9 N2 C10 C15 -116.8(3) . . . . ?
C9 N1 C21 C16 0.4(3) . . . . ?
C9 N1 C21 C20 -179.3(3) . . . . ?
C9 C8 C1 Ru1 -2.3(3) . . . . ?
C9 C8 C1 C2 178.9(2) . . . . ?
C41 C42 C43 N6 176.7(3) . . . . ?
C41 C42 C43 C44 -5.5(4) . . . . ?
C41 C38 C37 C36 1.2(4) . . . . ?
C41 C38 C39 O5 -8.5(4) . . . . ?
C41 C38 C39 O6 171.4(3) . . . . ?
C31 C34 C35 N4 -1.5(5) . . . . ?
C2 C3 C6 C7 -2.7(4) . . . . ?
C25 C24 C23 C22 -179.4(3) . . . . ?
C29 N4 C35 C34 -2.3(5) . . . . ?
C24 C27 C28 N3 -1.3(4) . . . . ?
C24 C27 C28 C29 -179.6(3) . . . . ?
C44 C45 C46 O7 -6.1(5) . . . . ?
C44 C45 C46 O8 172.4(3) . . . . ?
C44 C45 C48 C49 -2.0(4) . . . . ?
C30 C31 C34 C35 3.9(4) . . . . ?
C30 C29 C28 N3 170.8(3) . . . . ?
C30 C29 C28 C27 -10.8(4) . . . . ?
C49 N6 C43 C42 176.3(2) . . . . ?
C49 N6 C43 C44 -1.5(4) . . . . ?
C36 N5 C42 C43 -178.1(2) . . . . ?
C36 N5 C42 C41 1.6(4) . . . . ?
C6 C7 C8 C1 2.2(4) . . . . ?
C6 C7 C8 C9 179.4(3) . . . . ?
C6 C3 C2 C1 1.2(4) . . . . ?
C34 C31 C30 C29 -2.7(4) . . . . ?
C46 C45 C48 C49 177.9(3) . . . . ?
C21 N1 C9 N2 -0.7(3) . . . . ?
C21 N1 C9 C8 176.1(2) . . . . ?
C21 C16 C17 C18 0.3(5) . . . . ?
C21 C20 C19 C18 1.3(5) . . . . ?
C35 N4 C29 C30 3.6(4) . . . . ?
C35 N4 C29 C28 -177.8(3) . . . . ?
C37 C38 C39 O5 171.4(3) . . . . ?
C37 C38 C39 O6 -8.7(4) . . . . ?
C28 N3 C22 C23 -2.9(4) . . . . ?
C28 C27 C24 C25 179.6(2) . . . . ?
C28 C27 C24 C23 -0.7(4) . . . . ?
C28 C29 C30 C31 -179.6(3) . . . . ?
C48 C45 C46 O7 173.9(3) . . . . ?
C48 C45 C46 O8 -7.6(4) . . . . ?
C39 C38 C37 C36 -178.7(3) . . . . ?
C10 N2 C16 C21 168.7(3) . . . . ?
C10 N2 C16 C17 -12.5(5) . . . . ?
C10 N2 C9 N1 -167.8(3) . . . . ?
C10 N2 C9 C8 15.8(5) . . . . ?
C10 C11 C12 C13 -0.2(5) . . . . ?
C11 C10 C15 C14 -0.4(5) . . . . ?
C11 C12 C13 C14 -0.9(5) . . . . ?
C4 N7 C3 C2 13.5(4) . . . . ?
C4 N7 C3 C6 -167.3(3) . . . . ?
C33 O2 C32 O1 -3.5(5) . . . . ?
C33 O2 C32 C31 175.3(3) . . . . ?
C17 C16 C21 N1 -178.8(3) . . . . ?
C17 C16 C21 C20 0.8(5) . . . . ?
C17 C18 C19 C20 -0.1(6) . . . . ?
C26 O4 C25 O3 0.8(4) . . . . ?
C26 O4 C25 C24 179.0(2) . . . . ?
C15 C10 C11 C12 0.8(5) . . . . ?
C15 C14 C13 C12 1.4(6) . . . . ?
C13 C14 C15 C10 -0.7(6) . . . . ?
C5 N7 C3 C2 172.7(3) . . . . ?
C5 N7 C3 C6 -8.0(5) . . . . ?
C40 O6 C39 O5 -2.2(5) . . . . ?
C40 O6 C39 C38 177.9(3) . . . . ?
C47 O8 C46 O7 -1.1(5) . . . . ?
C47 O8 C46 C45 -179.6(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 -0.203 0.000 629.2 173.9 ?
2 -0.097 0.156 0.565 7.3 0.5 ?
3 0.097 0.844 0.435 7.3 0.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, heptane'
####################################################################### 
# 
# 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_sm17
_database_code_depnum_ccdc_archive 'CCDC 1990906'
loop_
_audit_author_name
_audit_author_address
'Stanislav Bezzubov'
;Kurnakov Institute of General and Inorganic Chemistry of Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-03-17 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_audit_creation_date             2020-03-16
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
bezzubov@igic.ras.ru
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H39 N6 O4 Ru, F6 P, 3(C H Cl3)'
_chemical_formula_sum            'C51 H42 Cl9 F6 N6 O4 P Ru'
_chemical_formula_weight         1367.99
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.4300(7)
_cell_length_b                   17.9246(9)
_cell_length_c                   19.3808(7)
_cell_angle_alpha                83.218(2)
_cell_angle_beta                 85.892(2)
_cell_angle_gamma                79.659(2)
_cell_volume                     5568.2(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8263
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.167
_shelx_estimated_absorpt_T_max   0.968
_shelx_estimated_absorpt_T_min   0.848
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0989 before and 0.0671 after correction.
The Ratio of minimum to maximum transmission is 0.7918.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2752
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1143
_diffrn_reflns_av_unetI/netI     0.1660
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53144
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.857
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9904
_reflns_number_total             19298
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.549
_refine_diff_density_min         -1.455
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1413
_refine_ls_number_reflns         19298
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.1621
_refine_ls_R_factor_gt           0.0841
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1011P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1862
_refine_ls_wR_factor_ref         0.2179
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl13-C043 \\sim Cl12-C043
 with sigma of 0.01
 Cl17-C03P \\sim Cl16-C03P
 with sigma of 0.01
 Cl20-C3B \\sim Cl21-C3B \\sim Cl19-C3B \\sim Cl18-C3B
 with sigma of 0.01
 Cl21-C49 \\sim Cl21-C3B \\sim Cl19-C49 \\sim Cl20-C49 \\sim Cl19-C3B \\sim
Cl18-C3B
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O3) = Uanis(N6) = Uanis(O4)
Uanis(Cl13) = Uanis(Cl12)
Uiso(C49) = Uiso(C3B)
4. Others
 Fixed Sof: Cl12(0.4) Cl16(0.45) H03A(0.45) H03P(0.55) H04A(0.4) H043(0.6)
 Cl20(0.4) Cl18(0.6) C3B(0.6) H3B(0.6) Cl13(0.6) Cl17(0.55) C49(0.4) H49(0.4)
5.a Ternary CH refined with riding coordinates:
 C88(H88), C03P(H03A), C03P(H03P), C44(H44), C042(H042), C043(H04A),
 C043(H043), C04A(H04B), C04C(H04C), C3B(H3B), C49(H49)
5.b Aromatic/amide H refined with riding coordinates:
 C79(H79), C36(H36), C37(H37), C61(H61), C78(H78), C77(H77), C62(H62), C2(H2),
 C59(H59), C86(H86), C35(H35), C83(H83), C93(H93), C91(H91), C63(H63), C52(H52),
  C97(H97), C75(H75), C85(H85), C80(H80), C4(H4), C53(H53), C32(H32), C41(H41),
 C20(H20), C51(H51), C18(H18), C42(H42), C66(H66), C34(H34), C54(H54), C58(H58),
  C47(H47), C74(H74), C56(H56), C5(H5), C17(H17), C65(H65), C28(H28), C92(H92),
 C21(H21), C24(H24), C23(H23), C9(H9), C48(H48), C13(H13), C71(H71), C70(H70),
 C12(H12), C31(H31), C57(H57), C15(H15), C29(H29), C73(H73), C11(H11), C10(H10),
  C30(H30), C16(H16)
5.c Idealised Me refined as rotating group:
 C89(H89A,H89B,H89C), C39(H39A,H39B,H39C), C90(H90A,H90B,H90C), C82(H82A,H82B,
 H82C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 -0.00246(4) 0.68861(4) 0.79573(3) 0.02381(19) Uani 1 1 d . . . . .
Ru2 Ru 0.53201(4) 0.33206(4) 0.71489(3) 0.02470(19) Uani 1 1 d . . . . .
P2 P -0.24508(13) 0.99776(14) 0.75623(13) 0.0348(6) Uani 1 1 d . . . . .
P1 P 0.21845(16) 0.56331(15) 1.10393(14) 0.0436(7) Uani 1 1 d . . . . .
Cl2 Cl -0.02831(16) 0.36842(17) 0.74033(14) 0.0589(8) Uani 1 1 d . . . . .
Cl3 Cl -0.12859(17) 0.29621(17) 0.66036(14) 0.0582(7) Uani 1 1 d . . . . .
Cl1 Cl -0.15409(18) 0.45992(17) 0.65588(15) 0.0657(8) Uani 1 1 d . . . . .
Cl15 Cl -0.33539(16) 0.71308(18) 0.80687(19) 0.0740(10) Uani 1 1 d . . . . .
Cl5 Cl 0.09343(19) 0.83707(18) 1.17464(17) 0.0729(9) Uani 1 1 d . . . . .
Cl14 Cl -0.3121(2) 0.6293(2) 0.68656(18) 0.0851(10) Uani 1 1 d . . . . .
Cl6 Cl -0.0702(2) 0.8119(2) 1.15302(19) 0.0856(10) Uani 1 1 d . . . . .
Cl10 Cl 0.0961(2) 1.0212(2) 0.50619(18) 0.0859(11) Uani 1 1 d . . . . .
Cl4 Cl 0.0344(3) 0.8544(2) 1.03597(17) 0.0951(12) Uani 1 1 d . . . . .
Cl11 Cl 0.1808(3) 1.14710(18) 0.47694(19) 0.0989(14) Uani 1 1 d . . . . .
Cl12 Cl 0.2832(6) 1.0038(11) 0.5104(8) 0.075(3) Uani 0.4 1 d D . P A 2
Cl8 Cl 0.5860(3) 0.8407(3) 0.6218(3) 0.1182(15) Uani 1 1 d . . . . .
Cl16 Cl -0.4386(5) 0.6093(7) 0.7749(7) 0.082(4) Uani 0.45 1 d D . P B 2
Cl9 Cl 0.5166(3) 0.7252(3) 0.5677(3) 0.143(2) Uani 1 1 d . . . . .
F3 F 0.2354(4) 0.5423(3) 1.1853(3) 0.0570(16) Uani 1 1 d . . . . .
Cl7 Cl 0.4084(3) 0.8537(3) 0.6121(3) 0.151(2) Uani 1 1 d . . . . .
F7 F -0.1750(3) 0.9652(3) 0.8095(3) 0.0523(15) Uani 1 1 d . . . . .
F12 F -0.1840(3) 0.9665(3) 0.6941(3) 0.0533(15) Uani 1 1 d . . . . .
F2 F 0.2479(4) 0.4741(3) 1.0939(3) 0.0583(16) Uani 1 1 d . . . . .
F1 F 0.3122(3) 0.5774(3) 1.0893(3) 0.0547(16) Uani 1 1 d . . . . .
F11 F -0.2115(3) 1.0765(3) 0.7441(3) 0.0517(15) Uani 1 1 d . . . . .
F10 F -0.3144(3) 1.0299(3) 0.7018(3) 0.0608(17) Uani 1 1 d . . . . .
F5 F 0.1898(4) 0.6515(3) 1.1164(3) 0.0608(17) Uani 1 1 d . . . . .
F8 F -0.2792(4) 0.9191(3) 0.7689(3) 0.0617(17) Uani 1 1 d . . . . .
F6 F 0.2035(4) 0.5830(3) 1.0235(3) 0.0612(17) Uani 1 1 d . . . . .
N11 N 0.1102(4) 0.7332(4) 0.5877(3) 0.0263(16) Uani 1 1 d . . . . .
F4 F 0.1252(3) 0.5501(3) 1.1197(3) 0.0599(17) Uani 1 1 d . . . . .
F9 F -0.3066(3) 1.0287(4) 0.8188(3) 0.0654(18) Uani 1 1 d . . . . .
N4 N 0.4654(4) 0.3152(4) 0.8141(3) 0.0249(16) Uani 1 1 d . . . . .
N1 N 0.0811(4) 0.7513(4) 0.8261(3) 0.0275(17) Uani 1 1 d . . . . .
N5 N 0.3901(4) 0.2731(4) 0.9064(3) 0.0265(16) Uani 1 1 d . . . . .
N2 N 0.0507(4) 0.6968(4) 0.6902(3) 0.0262(16) Uani 1 1 d . . . . .
O6 O 0.2607(4) 0.3577(3) 0.8143(3) 0.0410(16) Uani 1 1 d . . . . .
O1 O 0.2706(4) 0.6648(4) 0.6723(4) 0.0520(19) Uani 1 1 d . . . . .
N9 N 0.1935(4) 0.3990(4) 0.8110(4) 0.0325(18) Uani 1 1 d . . . . .
N8 N 0.2063(4) 0.7600(4) 0.8604(4) 0.0308(17) Uani 1 1 d . . . . .
O7 O 0.0396(5) 1.1060(4) 0.6822(4) 0.065(2) Uani 1 1 d . . . . .
N7 N 0.4563(4) 0.2717(4) 0.6681(3) 0.0321(18) Uani 1 1 d . . . . .
C38 C 0.4511(5) 0.3693(4) 0.8619(4) 0.0231(19) Uani 1 1 d . . . . .
O5 O 0.1317(4) 0.3743(4) 0.8004(5) 0.074(3) Uani 1 1 d . . . . .
N12 N 0.1006(5) 1.0579(5) 0.6953(5) 0.049(2) Uani 1 1 d . . . . .
O8 O 0.1653(4) 1.0722(4) 0.7117(5) 0.069(2) Uani 1 1 d . . . . .
C81 C 0.0586(5) 0.6374(5) 0.6465(4) 0.0254(19) Uani 1 1 d . . . . .
C50 C 0.4293(5) 0.4156(5) 0.6906(4) 0.026(2) Uani 1 1 d . . . . .
C68 C 0.0820(5) 0.7524(5) 0.6529(4) 0.0230(19) Uani 1 1 d . . . . .
C79 C 0.0532(5) 0.5195(5) 0.6041(4) 0.033(2) Uani 1 1 d . . . . .
H79 H 0.038648 0.470048 0.610188 0.039 Uiso 1 1 calc R U . . .
C36 C 0.4485(5) 0.4824(5) 0.9152(5) 0.036(2) Uani 1 1 d . . . . .
H36 H 0.463709 0.531129 0.914657 0.044 Uiso 1 1 calc R U . . .
O2 O 0.3954(5) 0.6453(4) 0.7078(5) 0.074(3) Uani 1 1 d . . . . .
C76 C 0.0957(5) 0.6607(5) 0.5836(4) 0.0250(19) Uani 1 1 d . . . . .
N10 N 0.3408(4) 0.2669(4) 0.6183(4) 0.0374(19) Uani 1 1 d . . . . .
C37 C 0.4747(5) 0.4403(5) 0.8592(4) 0.028(2) Uani 1 1 d . . . . .
H37 H 0.507340 0.459320 0.820935 0.034 Uiso 1 1 calc R U . . .
C61 C 0.1099(5) 0.5270(5) 0.8102(4) 0.0249(19) Uani 1 1 d . . . . .
H61 H 0.063272 0.505993 0.800736 0.030 Uiso 1 1 calc R U . . .
C78 C 0.0925(5) 0.5441(5) 0.5401(5) 0.033(2) Uani 1 1 d . . . . .
H78 H 0.104372 0.510892 0.504602 0.039 Uiso 1 1 calc R U . . .
C1 C 0.1026(5) 0.6054(5) 0.8147(4) 0.029(2) Uani 1 1 d . . . . .
C33 C 0.4037(5) 0.3431(5) 0.9194(4) 0.0253(19) Uani 1 1 d . . . . .
N3 N 0.3373(5) 0.6232(5) 0.6869(4) 0.043(2) Uani 1 1 d . . . . .
C77 C 0.1137(5) 0.6152(5) 0.5288(4) 0.029(2) Uani 1 1 d . . . . .
H77 H 0.139260 0.632658 0.485924 0.034 Uiso 1 1 calc R U . . .
C67 C 0.0856(5) 0.8295(5) 0.6717(4) 0.0254(19) Uani 1 1 d . . . . .
C62 C 0.1606(5) 0.8494(5) 0.6857(4) 0.030(2) Uani 1 1 d . . . . .
H62 H 0.209187 0.811617 0.688345 0.036 Uiso 1 1 calc R U . . .
C2 C 0.4186(5) 0.4928(5) 0.6960(4) 0.032(2) Uani 1 1 d . . . . .
H2 H 0.462151 0.513418 0.712186 0.038 Uiso 1 1 calc R U . . .
C87 C -0.0741(5) 0.6541(5) 0.8905(4) 0.032(2) Uani 1 1 d . . . . .
C59 C 0.0150(5) 0.8882(5) 0.8437(5) 0.034(2) Uani 1 1 d . . . . .
H59 H -0.038460 0.885252 0.829572 0.041 Uiso 1 1 calc R U . . .
C94 C 0.1739(5) 0.6327(5) 0.8321(4) 0.0225(18) Uani 1 1 d . . . . .
C95 C 0.1577(5) 0.7143(5) 0.8382(4) 0.027(2) Uani 1 1 d . . . . .
C86 C -0.0944(5) 0.7349(5) 0.8751(4) 0.031(2) Uani 1 1 d . . . . .
H86 H -0.086688 0.766668 0.909075 0.038 Uiso 1 1 calc R U . . .
C35 C 0.4009(5) 0.4555(5) 0.9719(4) 0.034(2) Uani 1 1 d . . . . .
H35 H 0.384518 0.486166 1.009002 0.041 Uiso 1 1 calc R U . . .
C69 C 0.1467(6) 0.7791(5) 0.5322(4) 0.032(2) Uani 1 1 d . . . . .
O4 O 0.4781(5) -0.0823(4) 0.7621(5) 0.0835(17) Uani 1 1 d . . . . .
C27 C 0.3446(5) 0.2250(5) 0.9548(5) 0.033(2) Uani 1 1 d . . . . .
C25 C 0.4268(5) 0.1848(5) 0.8157(4) 0.028(2) Uani 1 1 d . . . . .
C26 C 0.4277(5) 0.2577(5) 0.8438(4) 0.0227(19) Uani 1 1 d . . . . .
O3 O 0.3477(5) -0.0456(4) 0.7447(5) 0.0835(17) Uani 1 1 d . . . . .
C83 C 0.2550(5) 0.5076(5) 0.8362(4) 0.029(2) Uani 1 1 d . . . . .
H83 H 0.305826 0.473507 0.843338 0.035 Uiso 1 1 calc R U . . .
C93 C 0.2494(5) 0.5839(5) 0.8420(4) 0.029(2) Uani 1 1 d . . . . .
H93 H 0.296517 0.603342 0.852781 0.035 Uiso 1 1 calc R U . . .
C72 C 0.1853(5) 0.4810(5) 0.8197(4) 0.028(2) Uani 1 1 d . . . . .
C91 C -0.0858(5) 0.6094(5) 0.8364(5) 0.031(2) Uani 1 1 d . . . . .
H91 H -0.074784 0.555335 0.844702 0.038 Uiso 1 1 calc R U . . .
C63 C 0.1649(5) 0.9241(5) 0.6958(5) 0.036(2) Uani 1 1 d . . . . .
H63 H 0.215507 0.937512 0.706745 0.043 Uiso 1 1 calc R U . . .
N6 N 0.4156(6) -0.0334(6) 0.7590(6) 0.0835(17) Uani 1 1 d . . . . .
C96 C 0.2907(5) 0.7424(5) 0.8800(4) 0.028(2) Uani 1 1 d . . . . .
C52 C 0.4535(6) 0.7124(5) 0.9147(5) 0.042(2) Uani 1 1 d . . . . .
H52 H 0.509814 0.700938 0.926692 0.051 Uiso 1 1 calc R U . . .
C97 C 0.3108(5) 0.7020(5) 0.9439(5) 0.037(2) Uani 1 1 d . . . . .
H97 H 0.269442 0.684948 0.975524 0.044 Uiso 1 1 calc R U . . .
C75 C 0.2296(5) 0.7868(5) 0.5320(5) 0.036(2) Uani 1 1 d . . . . .
H75 H 0.261796 0.764222 0.570289 0.043 Uiso 1 1 calc R U . . .
C85 C -0.1261(5) 0.7693(5) 0.8098(4) 0.031(2) Uani 1 1 d . . . . .
H85 H -0.141293 0.823133 0.801744 0.037 Uiso 1 1 calc R U . . .
C80 C 0.0354(5) 0.5645(5) 0.6573(4) 0.029(2) Uani 1 1 d . . . . .
H80 H 0.008608 0.547512 0.699818 0.035 Uiso 1 1 calc R U . . .
C60 C 0.0789(5) 0.8257(5) 0.8436(4) 0.031(2) Uani 1 1 d . . . . .
C7 C 0.3812(5) 0.3094(5) 0.6521(4) 0.027(2) Uani 1 1 d . . . . .
C84 C -0.1346(5) 0.7238(5) 0.7576(5) 0.032(2) Uani 1 1 d . . . . .
C4 C 0.2782(5) 0.5145(5) 0.6563(4) 0.035(2) Uani 1 1 d . . . . .
H4 H 0.227574 0.548229 0.647448 0.042 Uiso 1 1 calc R U . . .
C3 C 0.3459(5) 0.5408(5) 0.6784(4) 0.031(2) Uani 1 1 d . . . . .
C6 C 0.3626(5) 0.3894(5) 0.6629(4) 0.028(2) Uani 1 1 d . . . . .
C53 C 0.4336(5) 0.7535(6) 0.8523(5) 0.044(3) Uani 1 1 d . . . . .
H53 H 0.475343 0.771185 0.821413 0.053 Uiso 1 1 calc R U . . .
C32 C 0.2655(6) 0.2176(5) 0.9440(5) 0.045(3) Uani 1 1 d . . . . .
H32 H 0.239817 0.242294 0.902973 0.054 Uiso 1 1 calc R U . . .
C41 C 0.6581(5) 0.2547(6) 0.7037(5) 0.040(2) Uani 1 1 d . . . . .
H41 H 0.672932 0.200894 0.704257 0.048 Uiso 1 1 calc R U . . .
C8 C 0.2598(5) 0.2873(5) 0.5887(5) 0.037(2) Uani 1 1 d . . . . .
C43 C 0.6164(5) 0.3832(5) 0.6376(5) 0.042(2) Uani 1 1 d . . . . .
C19 C 0.4661(5) 0.2015(5) 0.6431(4) 0.033(2) Uani 1 1 d . . . . .
C55 C 0.1568(5) 0.8317(5) 0.8648(4) 0.032(2) Uani 1 1 d . . . . .
C20 C 0.3538(5) 0.1693(5) 0.7916(4) 0.034(2) Uani 1 1 d . . . . .
H20 H 0.305688 0.207713 0.789498 0.041 Uiso 1 1 calc R U . . .
C64 C 0.0941(5) 0.9779(5) 0.6895(5) 0.037(2) Uani 1 1 d . . . . .
C51 C 0.3942(6) 0.6875(5) 0.9600(5) 0.044(3) Uani 1 1 d . . . . .
H51 H 0.409812 0.659746 1.003266 0.053 Uiso 1 1 calc R U . . .
C18 C 0.5307(6) 0.1403(6) 0.6440(5) 0.043(3) Uani 1 1 d . . . . .
H18 H 0.580587 0.141601 0.665343 0.052 Uiso 1 1 calc R U . . .
C42 C 0.6349(5) 0.3009(6) 0.6395(5) 0.041(3) Uani 1 1 d . . . . .
H42 H 0.631740 0.277352 0.598550 0.049 Uiso 1 1 calc R U . . .
C66 C 0.0138(5) 0.8857(5) 0.6687(4) 0.030(2) Uani 1 1 d . . . . .
H66 H -0.037928 0.872614 0.660521 0.036 Uiso 1 1 calc R U . . .
C34 C 0.3773(5) 0.3861(5) 0.9751(4) 0.033(2) Uani 1 1 d . . . . .
H34 H 0.344419 0.367698 1.013401 0.039 Uiso 1 1 calc R U . . .
C54 C 0.3507(5) 0.7689(5) 0.8348(5) 0.041(2) Uani 1 1 d . . . . .
H54 H 0.335626 0.797655 0.791812 0.049 Uiso 1 1 calc R U . . .
C58 C 0.0311(6) 0.9538(5) 0.8646(5) 0.044(3) Uani 1 1 d . . . . .
H58 H -0.012239 0.996580 0.865912 0.052 Uiso 1 1 calc R U . . .
C47 C 0.6181(5) 0.4142(6) 0.7000(5) 0.040(2) Uani 1 1 d . . . . .
H47 H 0.606699 0.468008 0.700335 0.047 Uiso 1 1 calc R U . . .
C74 C 0.2648(7) 0.8268(5) 0.4765(5) 0.048(3) Uani 1 1 d . . . . .
H74 H 0.321364 0.831952 0.476067 0.057 Uiso 1 1 calc R U . . .
C56 C 0.1746(6) 0.8991(5) 0.8840(5) 0.038(2) Uani 1 1 d . . . . .
H56 H 0.228441 0.903133 0.896360 0.046 Uiso 1 1 calc R U . . .
C5 C 0.2871(5) 0.4392(5) 0.6479(4) 0.032(2) Uani 1 1 d . . . . .
H5 H 0.242463 0.419772 0.631972 0.038 Uiso 1 1 calc R U . . .
C40 C 0.6587(5) 0.2883(5) 0.7648(5) 0.036(2) Uani 1 1 d . . . . .
C17 C 0.5207(6) 0.0770(6) 0.6128(5) 0.050(3) Uani 1 1 d . . . . .
H17 H 0.564343 0.034322 0.613013 0.060 Uiso 1 1 calc R U . . .
C65 C 0.0188(5) 0.9597(5) 0.6776(5) 0.036(2) Uani 1 1 d . . . . .
H65 H -0.029456 0.997997 0.675616 0.044 Uiso 1 1 calc R U . . .
C28 C 0.3841(7) 0.1892(6) 1.0146(5) 0.049(3) Uani 1 1 d . . . . .
H28 H 0.440047 0.192610 1.021102 0.059 Uiso 1 1 calc R U . . .
C89 C -0.1171(6) 0.5919(6) 1.0055(5) 0.052(3) Uani 1 1 d . . . . .
H89A H -0.157273 0.637256 1.015457 0.077 Uiso 1 1 calc R U . . .
H89B H -0.096352 0.564314 1.049204 0.077 Uiso 1 1 calc R U . . .
H89C H -0.144093 0.558578 0.981403 0.077 Uiso 1 1 calc R U . . .
C92 C -0.1135(5) 0.6446(5) 0.7705(5) 0.032(2) Uani 1 1 d . . . . .
H92 H -0.117706 0.613762 0.734680 0.038 Uiso 1 1 calc R U . . .
C21 C 0.3510(6) 0.0995(5) 0.7711(5) 0.043(2) Uani 1 1 d . . . . .
H21 H 0.302027 0.089379 0.753578 0.052 Uiso 1 1 calc R U . . .
C88 C -0.0459(6) 0.6156(6) 0.9600(5) 0.045(3) Uani 1 1 d . . . . .
H88 H -0.005831 0.568231 0.951361 0.054 Uiso 1 1 calc R U . . .
C24 C 0.4947(5) 0.1269(5) 0.8198(5) 0.035(2) Uani 1 1 d . . . . .
H24 H 0.544217 0.136720 0.836726 0.042 Uiso 1 1 calc R U . . .
C23 C 0.4939(5) 0.0560(5) 0.8005(5) 0.038(2) Uani 1 1 d . . . . .
H23 H 0.541238 0.016819 0.803447 0.046 Uiso 1 1 calc R U . . .
C9 C 0.1934(6) 0.2686(6) 0.6267(6) 0.056(3) Uani 1 1 d . . . . .
H9 H 0.199532 0.244076 0.672667 0.068 Uiso 1 1 calc R U . . .
C48 C 0.6360(5) 0.3684(5) 0.7616(5) 0.034(2) Uani 1 1 d . . . . .
H48 H 0.632930 0.391780 0.803391 0.041 Uiso 1 1 calc R U . . .
C13 C 0.2553(6) 0.3229(5) 0.5210(5) 0.049(3) Uani 1 1 d . . . . .
H13 H 0.303895 0.333814 0.495208 0.059 Uiso 1 1 calc R U . . .
C71 C 0.1362(8) 0.8536(6) 0.4215(5) 0.056(3) Uani 1 1 d . . . . .
H71 H 0.105051 0.877439 0.383004 0.067 Uiso 1 1 calc R U . . .
C03P C -0.3349(6) 0.6261(6) 0.7753(5) 0.049(3) Uani 1 1 d D . . . .
H03A H -0.298490 0.583169 0.801906 0.059 Uiso 0.45 1 calc R U P B 2
H03P H -0.286556 0.591187 0.796599 0.059 Uiso 0.55 1 calc R U P B 1
C70 C 0.0977(7) 0.8128(5) 0.4770(5) 0.046(3) Uani 1 1 d . . . . .
H70 H 0.040964 0.808454 0.477088 0.055 Uiso 1 1 calc R U . . .
C22 C 0.4202(6) 0.0444(5) 0.7764(5) 0.042(2) Uani 1 1 d . . . . .
C12 C 0.1789(7) 0.3421(6) 0.4917(6) 0.059(3) Uani 1 1 d . . . . .
H12 H 0.173740 0.367589 0.445993 0.071 Uiso 1 1 calc R U . . .
C31 C 0.2222(7) 0.1741(6) 0.9928(6) 0.062(3) Uani 1 1 d . . . . .
H31 H 0.168149 0.166755 0.984173 0.074 Uiso 1 1 calc R U . . .
C39 C 0.6774(6) 0.2407(5) 0.8324(5) 0.043(2) Uani 1 1 d . . . . .
H39A H 0.630184 0.251026 0.865897 0.064 Uiso 1 1 calc R U . . .
H39B H 0.726762 0.253383 0.850626 0.064 Uiso 1 1 calc R U . . .
H39C H 0.687359 0.186587 0.825112 0.064 Uiso 1 1 calc R U . . .
C44 C 0.5941(6) 0.4337(6) 0.5713(5) 0.047(3) Uani 1 1 d . . . . .
H44 H 0.548897 0.475782 0.584146 0.056 Uiso 1 1 calc R U . . .
C57 C 0.1100(6) 0.9597(5) 0.8841(5) 0.044(3) Uani 1 1 d . . . . .
H57 H 0.119007 1.006622 0.897820 0.053 Uiso 1 1 calc R U . . .
C15 C 0.3828(6) 0.1351(6) 0.5823(6) 0.060(3) Uani 1 1 d . . . . .
H15 H 0.332103 0.132697 0.562693 0.072 Uiso 1 1 calc R U . . .
C29 C 0.3379(8) 0.1477(6) 1.0652(5) 0.060(3) Uani 1 1 d . . . . .
H29 H 0.362077 0.123975 1.107081 0.073 Uiso 1 1 calc R U . . .
C90 C 0.0000(7) 0.6658(7) 0.9974(5) 0.075(4) Uani 1 1 d . . . . .
H90A H 0.043407 0.683664 0.965705 0.112 Uiso 1 1 calc R U . . .
H90B H 0.025156 0.635887 1.038522 0.112 Uiso 1 1 calc R U . . .
H90C H -0.039351 0.709824 1.011748 0.112 Uiso 1 1 calc R U . . .
C14 C 0.3922(5) 0.1972(5) 0.6116(5) 0.038(2) Uani 1 1 d . . . . .
C82 C -0.1602(6) 0.7604(6) 0.6864(5) 0.043(2) Uani 1 1 d . . . . .
H82A H -0.162320 0.815661 0.683878 0.064 Uiso 1 1 calc R U . . .
H82B H -0.214950 0.749867 0.678200 0.064 Uiso 1 1 calc R U . . .
H82C H -0.119742 0.739469 0.650937 0.064 Uiso 1 1 calc R U . . .
C042 C -0.1270(6) 0.3731(6) 0.7082(5) 0.048(3) Uani 1 1 d . . . . .
H042 H -0.168445 0.370887 0.748477 0.057 Uiso 1 1 calc R U . . .
C043 C 0.1893(6) 1.0489(6) 0.4763(5) 0.049(3) Uani 1 1 d D . . . .
H04A H 0.195223 1.040408 0.425920 0.059 Uiso 0.4 1 calc R U P A 2
H043 H 0.206619 1.033126 0.428833 0.059 Uiso 0.6 1 calc R U P A 1
C73 C 0.2179(8) 0.8591(6) 0.4224(6) 0.056(3) Uani 1 1 d . . . . .
H73 H 0.242734 0.886366 0.383889 0.067 Uiso 1 1 calc R U . . .
C45 C 0.5618(7) 0.3950(7) 0.5174(6) 0.069(4) Uani 1 1 d . . . . .
H45A H 0.607359 0.360066 0.496733 0.103 Uiso 1 1 calc R U . . .
H45B H 0.537170 0.433364 0.480977 0.103 Uiso 1 1 calc R U . . .
H45C H 0.519545 0.366125 0.539041 0.103 Uiso 1 1 calc R U . . .
C11 C 0.1088(8) 0.3226(7) 0.5318(9) 0.079(5) Uani 1 1 d . . . . .
H11 H 0.055969 0.335602 0.512350 0.094 Uiso 1 1 calc R U . . .
C10 C 0.1146(7) 0.2853(7) 0.5984(7) 0.070(4) Uani 1 1 d . . . . .
H10 H 0.067221 0.271457 0.624244 0.084 Uiso 1 1 calc R U . . .
C30 C 0.2578(8) 0.1421(6) 1.0530(6) 0.059(3) Uani 1 1 d . . . . .
H30 H 0.226705 0.115264 1.087448 0.071 Uiso 1 1 calc R U . . .
C16 C 0.4480(6) 0.0750(6) 0.5814(6) 0.058(3) Uani 1 1 d . . . . .
H16 H 0.443112 0.031738 0.558945 0.070 Uiso 1 1 calc R U . . .
C04A C 0.0322(7) 0.8028(7) 1.1178(6) 0.065(3) Uani 1 1 d . . . . .
H04B H 0.054430 0.747760 1.113383 0.078 Uiso 1 1 calc R U . . .
C46 C 0.6685(7) 0.4716(8) 0.5400(6) 0.087(4) Uani 1 1 d . . . . .
H46A H 0.689381 0.496413 0.575839 0.130 Uiso 1 1 calc R U . . .
H46B H 0.650413 0.509661 0.501107 0.130 Uiso 1 1 calc R U . . .
H46C H 0.712745 0.432479 0.523256 0.130 Uiso 1 1 calc R U . . .
C04C C 0.4994(8) 0.7906(7) 0.6276(7) 0.080(4) Uiso 1 1 d . . . . .
H04C H 0.494901 0.763134 0.675292 0.096 Uiso 1 1 calc R U . . .
Cl21 Cl 0.3274(2) 0.01249(18) 0.93250(17) 0.0790(10) Uani 1 1 d D . . . .
Cl19 Cl 0.3722(3) -0.1332(2) 1.0105(2) 0.1086(14) Uani 1 1 d D . . . .
Cl20 Cl 0.4701(4) -0.0185(4) 1.0133(5) 0.067(2) Uani 0.4 1 d D . P C 1
Cl18 Cl 0.2177(5) -0.0483(5) 1.0421(4) 0.132(3) Uani 0.6 1 d D . P D 2
C3B C 0.3203(6) -0.0392(5) 1.0156(6) 0.061(4) Uiso 0.6 1 d D . P D 2
H3B H 0.345286 -0.014739 1.050728 0.073 Uiso 0.6 1 calc R U P D 2
Cl13 Cl 0.2584(4) 1.0000(7) 0.5388(4) 0.075(3) Uani 0.6 1 d D . P A 1
Cl17 Cl -0.4216(4) 0.5860(5) 0.8091(5) 0.069(2) Uani 0.55 1 d D . P B 1
C49 C 0.3692(8) -0.0349(5) 1.0095(8) 0.061(4) Uiso 0.4 1 d D . P C 1
H49 H 0.334548 -0.015806 1.050429 0.073 Uiso 0.4 1 calc R U P C 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 2.078(7) . ?
Ru1 N2 2.165(7) . ?
Ru1 C1 2.091(7) . ?
Ru1 C87 2.197(8) . ?
Ru1 C86 2.203(7) . ?
Ru1 C91 2.188(8) . ?
Ru1 C85 2.291(8) . ?
Ru1 C84 2.300(7) . ?
Ru1 C92 2.220(9) . ?
Ru2 N4 2.160(7) . ?
Ru2 N7 2.101(7) . ?
Ru2 C50 2.086(8) . ?
Ru2 C41 2.288(8) . ?
Ru2 C43 2.200(10) . ?
Ru2 C42 2.192(8) . ?
Ru2 C47 2.200(9) . ?
Ru2 C40 2.325(8) . ?
Ru2 C48 2.219(9) . ?
P2 F7 1.587(5) . ?
P2 F12 1.598(5) . ?
P2 F11 1.593(6) . ?
P2 F10 1.593(5) . ?
P2 F8 1.595(6) . ?
P2 F9 1.606(6) . ?
P1 F3 1.610(6) . ?
P1 F2 1.616(6) . ?
P1 F1 1.606(6) . ?
P1 F5 1.609(6) . ?
P1 F6 1.584(6) . ?
P1 F4 1.595(6) . ?
Cl2 C042 1.763(10) . ?
Cl3 C042 1.754(10) . ?
Cl1 C042 1.759(11) . ?
Cl15 C03P 1.740(10) . ?
Cl5 C04A 1.772(11) . ?
Cl14 C03P 1.731(11) . ?
Cl6 C04A 1.756(12) . ?
Cl10 C043 1.733(11) . ?
Cl4 C04A 1.741(12) . ?
Cl11 C043 1.743(10) . ?
Cl12 C043 1.745(12) . ?
Cl8 C04C 1.804(13) . ?
Cl16 C03P 1.782(11) . ?
Cl9 C04C 1.719(13) . ?
Cl7 C04C 1.726(13) . ?
N11 C68 1.375(10) . ?
N11 C76 1.375(10) . ?
N11 C69 1.439(10) . ?
N4 C38 1.397(10) . ?
N4 C26 1.347(10) . ?
N1 C95 1.337(10) . ?
N1 C60 1.408(10) . ?
N5 C33 1.367(10) . ?
N5 C27 1.457(11) . ?
N5 C26 1.357(10) . ?
N2 C81 1.420(10) . ?
N2 C68 1.319(10) . ?
O6 N9 1.214(8) . ?
O1 N3 1.240(9) . ?
N9 O5 1.217(9) . ?
N9 C72 1.480(11) . ?
N8 C95 1.365(10) . ?
N8 C96 1.435(10) . ?
N8 C55 1.400(10) . ?
O7 N12 1.219(10) . ?
N7 C7 1.334(10) . ?
N7 C19 1.380(11) . ?
C38 C37 1.389(11) . ?
C38 C33 1.397(11) . ?
N12 O8 1.211(10) . ?
N12 C64 1.474(12) . ?
C81 C76 1.377(11) . ?
C81 C80 1.414(11) . ?
C50 C2 1.378(12) . ?
C50 C6 1.429(11) . ?
C68 C67 1.482(11) . ?
C79 H79 0.9500 . ?
C79 C78 1.417(12) . ?
C79 C80 1.367(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.393(11) . ?
C36 C35 1.393(12) . ?
O2 N3 1.208(10) . ?
C76 C77 1.398(11) . ?
N10 C7 1.345(10) . ?
N10 C8 1.457(11) . ?
N10 C14 1.391(10) . ?
C37 H37 0.9500 . ?
C61 H61 0.9500 . ?
C61 C1 1.402(11) . ?
C61 C72 1.370(11) . ?
C78 H78 0.9500 . ?
C78 C77 1.368(12) . ?
C1 C94 1.424(11) . ?
C33 C34 1.399(11) . ?
N3 C3 1.487(12) . ?
C77 H77 0.9500 . ?
C67 C62 1.397(11) . ?
C67 C66 1.407(11) . ?
C62 H62 0.9500 . ?
C62 C63 1.389(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.379(11) . ?
C87 C86 1.427(12) . ?
C87 C91 1.435(12) . ?
C87 C88 1.503(12) . ?
C59 H59 0.9500 . ?
C59 C60 1.391(11) . ?
C59 C58 1.361(12) . ?
C94 C95 1.455(11) . ?
C94 C93 1.395(11) . ?
C86 H86 0.9500 . ?
C86 C85 1.431(11) . ?
C35 H35 0.9500 . ?
C35 C34 1.361(12) . ?
C69 C75 1.392(12) . ?
C69 C70 1.398(12) . ?
O4 N6 1.224(11) . ?
C27 C32 1.363(12) . ?
C27 C28 1.400(12) . ?
C25 C26 1.477(11) . ?
C25 C20 1.403(11) . ?
C25 C24 1.381(11) . ?
O3 N6 1.232(11) . ?
C83 H83 0.9500 . ?
C83 C93 1.372(11) . ?
C83 C72 1.389(11) . ?
C93 H93 0.9500 . ?
C91 H91 0.9500 . ?
C91 C92 1.424(12) . ?
C63 H63 0.9500 . ?
C63 C64 1.375(12) . ?
N6 C22 1.490(13) . ?
C96 C97 1.388(12) . ?
C96 C54 1.382(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.368(13) . ?
C52 C51 1.365(13) . ?
C97 H97 0.9500 . ?
C97 C51 1.399(12) . ?
C75 H75 0.9500 . ?
C75 C74 1.373(12) . ?
C85 H85 0.9500 . ?
C85 C84 1.401(12) . ?
C80 H80 0.9500 . ?
C60 C55 1.398(12) . ?
C7 C6 1.449(11) . ?
C84 C92 1.396(12) . ?
C84 C82 1.510(12) . ?
C4 H4 0.9500 . ?
C4 C3 1.394(12) . ?
C4 C5 1.361(12) . ?
C6 C5 1.419(11) . ?
C53 H53 0.9500 . ?
C53 C54 1.398(12) . ?
C32 H32 0.9500 . ?
C32 C31 1.393(13) . ?
C41 H41 0.9500 . ?
C41 C42 1.448(13) . ?
C41 C40 1.391(12) . ?
C8 C9 1.342(14) . ?
C8 C13 1.391(13) . ?
C43 C42 1.449(13) . ?
C43 C47 1.392(13) . ?
C43 C44 1.509(13) . ?
C19 C18 1.381(12) . ?
C19 C14 1.417(12) . ?
C55 C56 1.390(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.366(12) . ?
C64 C65 1.377(12) . ?
C51 H51 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.386(13) . ?
C42 H42 0.9500 . ?
C66 H66 0.9500 . ?
C66 C65 1.375(12) . ?
C34 H34 0.9500 . ?
C54 H54 0.9500 . ?
C58 H58 0.9500 . ?
C58 C57 1.401(13) . ?
C47 H47 0.9500 . ?
C47 C48 1.384(12) . ?
C74 H74 0.9500 . ?
C74 C73 1.357(14) . ?
C56 H56 0.9500 . ?
C56 C57 1.376(12) . ?
C5 H5 0.9500 . ?
C40 C48 1.412(12) . ?
C40 C39 1.497(12) . ?
C17 H17 0.9500 . ?
C17 C16 1.388(13) . ?
C65 H65 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.420(14) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C89 C88 1.507(13) . ?
C92 H92 0.9500 . ?
C21 H21 0.9500 . ?
C21 C22 1.366(13) . ?
C88 H88 1.0000 . ?
C88 C90 1.543(14) . ?
C24 H24 0.9500 . ?
C24 C23 1.370(12) . ?
C23 H23 0.9500 . ?
C23 C22 1.385(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.411(14) . ?
C48 H48 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.383(13) . ?
C71 H71 0.9500 . ?
C71 C70 1.404(14) . ?
C71 C73 1.366(15) . ?
C03P H03A 1.0000 . ?
C03P H03P 1.0000 . ?
C03P Cl17 1.759(11) . ?
C70 H70 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.417(18) . ?
C31 H31 0.9500 . ?
C31 C30 1.361(15) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C44 H44 1.0000 . ?
C44 C45 1.497(15) . ?
C44 C46 1.555(14) . ?
C57 H57 0.9500 . ?
C15 H15 0.9500 . ?
C15 C14 1.344(13) . ?
C15 C16 1.376(13) . ?
C29 H29 0.9500 . ?
C29 C30 1.376(15) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C042 H042 1.0000 . ?
C043 H04A 1.0000 . ?
C043 H043 1.0000 . ?
C043 Cl13 1.764(11) . ?
C73 H73 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.383(18) . ?
C10 H10 0.9500 . ?
C30 H30 0.9500 . ?
C16 H16 0.9500 . ?
C04A H04B 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C04C H04C 1.0000 . ?
Cl21 C3B 1.767(8) . ?
Cl21 C49 1.748(9) . ?
Cl19 C3B 1.757(8) . ?
Cl19 C49 1.751(9) . ?
Cl20 Cl20 1.323(15) 2_657 ?
Cl20 C49 1.743(9) . ?
Cl18 C3B 1.757(8) . ?
C3B H3B 1.0000 . ?
C49 H49 1.0000 . ?

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
N1 Ru1 N2 90.6(3) . . ?
N1 Ru1 C1 77.5(3) . . ?
N1 Ru1 C87 106.4(3) . . ?
N1 Ru1 C86 89.9(3) . . ?
N1 Ru1 C91 142.6(3) . . ?
N1 Ru1 C85 101.9(3) . . ?
N1 Ru1 C84 132.1(3) . . ?
N1 Ru1 C92 166.5(3) . . ?
N2 Ru1 C87 162.5(3) . . ?
N2 Ru1 C86 149.5(3) . . ?
N2 Ru1 C91 124.3(3) . . ?
N2 Ru1 C85 113.5(3) . . ?
N2 Ru1 C84 91.7(3) . . ?
N2 Ru1 C92 95.5(3) . . ?
C1 Ru1 N2 83.8(3) . . ?
C1 Ru1 C87 95.8(3) . . ?
C1 Ru1 C86 125.9(3) . . ?
C1 Ru1 C91 92.1(3) . . ?
C1 Ru1 C85 162.7(3) . . ?
C1 Ru1 C84 150.2(3) . . ?
C1 Ru1 C92 115.1(3) . . ?
C87 Ru1 C86 37.8(3) . . ?
C87 Ru1 C85 67.6(3) . . ?
C87 Ru1 C84 79.9(3) . . ?
C87 Ru1 C92 68.7(3) . . ?
C86 Ru1 C85 37.1(3) . . ?
C86 Ru1 C84 66.1(3) . . ?
C86 Ru1 C92 78.8(3) . . ?
C91 Ru1 C87 38.2(3) . . ?
C91 Ru1 C86 67.2(3) . . ?
C91 Ru1 C85 77.9(3) . . ?
C91 Ru1 C84 66.3(3) . . ?
C91 Ru1 C92 37.7(3) . . ?
C85 Ru1 C84 35.5(3) . . ?
C92 Ru1 C85 64.7(3) . . ?
C92 Ru1 C84 35.9(3) . . ?
N4 Ru2 C41 115.2(3) . . ?
N4 Ru2 C43 156.5(3) . . ?
N4 Ru2 C42 152.5(3) . . ?
N4 Ru2 C47 119.6(3) . . ?
N4 Ru2 C40 91.6(3) . . ?
N4 Ru2 C48 93.2(3) . . ?
N7 Ru2 N4 91.2(3) . . ?
N7 Ru2 C41 100.9(3) . . ?
N7 Ru2 C43 111.5(3) . . ?
N7 Ru2 C42 91.4(3) . . ?
N7 Ru2 C47 147.1(3) . . ?
N7 Ru2 C40 129.5(3) . . ?
N7 Ru2 C48 165.0(3) . . ?
C50 Ru2 N4 84.3(3) . . ?
C50 Ru2 N7 77.5(3) . . ?
C50 Ru2 C41 160.5(3) . . ?
C50 Ru2 C43 94.3(3) . . ?
C50 Ru2 C42 122.9(3) . . ?
C50 Ru2 C47 93.2(3) . . ?
C50 Ru2 C40 152.9(3) . . ?
C50 Ru2 C48 117.2(3) . . ?
C41 Ru2 C40 35.1(3) . . ?
C43 Ru2 C41 67.9(3) . . ?
C43 Ru2 C40 78.9(3) . . ?
C43 Ru2 C48 66.5(3) . . ?
C42 Ru2 C41 37.6(3) . . ?
C42 Ru2 C43 38.5(3) . . ?
C42 Ru2 C47 67.1(4) . . ?
C42 Ru2 C40 66.1(3) . . ?
C42 Ru2 C48 78.3(3) . . ?
C47 Ru2 C41 77.5(3) . . ?
C47 Ru2 C43 36.9(3) . . ?
C47 Ru2 C40 65.6(3) . . ?
C47 Ru2 C48 36.5(3) . . ?
C48 Ru2 C41 64.3(3) . . ?
C48 Ru2 C40 36.1(3) . . ?
F7 P2 F12 89.8(3) . . ?
F7 P2 F11 89.7(3) . . ?
F7 P2 F10 179.1(4) . . ?
F7 P2 F8 90.3(3) . . ?
F7 P2 F9 90.1(3) . . ?
F12 P2 F9 179.7(4) . . ?
F11 P2 F12 90.1(3) . . ?
F11 P2 F8 179.5(4) . . ?
F11 P2 F9 90.2(3) . . ?
F10 P2 F12 89.2(3) . . ?
F10 P2 F11 90.3(3) . . ?
F10 P2 F8 89.7(3) . . ?
F10 P2 F9 90.8(3) . . ?
F8 P2 F12 90.4(3) . . ?
F8 P2 F9 89.3(3) . . ?
F3 P1 F2 88.3(3) . . ?
F1 P1 F3 89.5(3) . . ?
F1 P1 F2 90.1(3) . . ?
F1 P1 F5 89.7(3) . . ?
F5 P1 F3 89.9(3) . . ?
F5 P1 F2 178.2(4) . . ?
F6 P1 F3 178.9(4) . . ?
F6 P1 F2 91.0(3) . . ?
F6 P1 F1 89.7(3) . . ?
F6 P1 F5 90.8(3) . . ?
F6 P1 F4 91.1(3) . . ?
F4 P1 F3 89.7(3) . . ?
F4 P1 F2 90.5(3) . . ?
F4 P1 F1 179.0(4) . . ?
F4 P1 F5 89.6(3) . . ?
C68 N11 C69 128.0(7) . . ?
C76 N11 C68 107.2(7) . . ?
C76 N11 C69 124.8(7) . . ?
C38 N4 Ru2 123.1(6) . . ?
C26 N4 Ru2 131.9(5) . . ?
C26 N4 C38 104.9(7) . . ?
C95 N1 Ru1 117.2(5) . . ?
C95 N1 C60 105.6(7) . . ?
C60 N1 Ru1 137.0(5) . . ?
C33 N5 C27 123.6(7) . . ?
C26 N5 C33 108.3(7) . . ?
C26 N5 C27 128.1(7) . . ?
C81 N2 Ru1 123.5(5) . . ?
C68 N2 Ru1 130.8(6) . . ?
C68 N2 C81 105.7(7) . . ?
O6 N9 O5 121.2(7) . . ?
O6 N9 C72 120.3(7) . . ?
O5 N9 C72 118.5(7) . . ?
C95 N8 C96 129.9(7) . . ?
C95 N8 C55 107.0(7) . . ?
C55 N8 C96 123.0(7) . . ?
C7 N7 Ru2 116.5(5) . . ?
C7 N7 C19 107.5(7) . . ?
C19 N7 Ru2 135.8(6) . . ?
N4 C38 C33 109.4(7) . . ?
C37 C38 N4 130.8(8) . . ?
C37 C38 C33 119.8(7) . . ?
O7 N12 C64 117.1(8) . . ?
O8 N12 O7 124.0(9) . . ?
O8 N12 C64 118.9(8) . . ?
C76 C81 N2 108.6(7) . . ?
C76 C81 C80 119.7(7) . . ?
C80 C81 N2 131.7(8) . . ?
C2 C50 Ru2 128.5(6) . . ?
C2 C50 C6 116.0(7) . . ?
C6 C50 Ru2 115.4(6) . . ?
N11 C68 C67 119.7(7) . . ?
N2 C68 N11 111.6(7) . . ?
N2 C68 C67 128.6(7) . . ?
C78 C79 H79 118.9 . . ?
C80 C79 H79 118.9 . . ?
C80 C79 C78 122.1(8) . . ?
C37 C36 H36 118.8 . . ?
C37 C36 C35 122.4(9) . . ?
C35 C36 H36 118.8 . . ?
N11 C76 C81 106.9(7) . . ?
N11 C76 C77 129.7(8) . . ?
C81 C76 C77 123.4(8) . . ?
C7 N10 C8 129.0(7) . . ?
C7 N10 C14 108.3(7) . . ?
C14 N10 C8 122.6(7) . . ?
C38 C37 C36 117.1(8) . . ?
C38 C37 H37 121.5 . . ?
C36 C37 H37 121.5 . . ?
C1 C61 H61 120.4 . . ?
C72 C61 H61 120.4 . . ?
C72 C61 C1 119.1(8) . . ?
C79 C78 H78 119.6 . . ?
C77 C78 C79 120.9(8) . . ?
C77 C78 H78 119.6 . . ?
C61 C1 Ru1 126.7(6) . . ?
C61 C1 C94 117.6(7) . . ?
C94 C1 Ru1 115.7(6) . . ?
N5 C33 C38 105.9(7) . . ?
N5 C33 C34 131.5(8) . . ?
C38 C33 C34 122.6(8) . . ?
O1 N3 C3 117.6(8) . . ?
O2 N3 O1 124.3(9) . . ?
O2 N3 C3 118.0(7) . . ?
C76 C77 H77 121.7 . . ?
C78 C77 C76 116.7(8) . . ?
C78 C77 H77 121.7 . . ?
C62 C67 C68 121.1(7) . . ?
C62 C67 C66 119.2(8) . . ?
C66 C67 C68 119.4(7) . . ?
C67 C62 H62 119.7 . . ?
C63 C62 C67 120.7(8) . . ?
C63 C62 H62 119.7 . . ?
C50 C2 H2 119.3 . . ?
C50 C2 C3 121.5(8) . . ?
C3 C2 H2 119.3 . . ?
C86 C87 Ru1 71.3(4) . . ?
C86 C87 C91 116.3(7) . . ?
C86 C87 C88 123.4(8) . . ?
C91 C87 Ru1 70.6(5) . . ?
C91 C87 C88 120.3(8) . . ?
C88 C87 Ru1 130.5(6) . . ?
C60 C59 H59 120.9 . . ?
C58 C59 H59 120.9 . . ?
C58 C59 C60 118.1(9) . . ?
C1 C94 C95 112.6(7) . . ?
C93 C94 C1 121.5(7) . . ?
C93 C94 C95 126.0(7) . . ?
N1 C95 N8 112.3(7) . . ?
N1 C95 C94 116.9(7) . . ?
N8 C95 C94 130.6(7) . . ?
Ru1 C86 H86 127.3 . . ?
C87 C86 Ru1 70.9(4) . . ?
C87 C86 H86 119.1 . . ?
C87 C86 C85 121.8(8) . . ?
C85 C86 Ru1 74.8(5) . . ?
C85 C86 H86 119.1 . . ?
C36 C35 H35 119.5 . . ?
C34 C35 C36 121.0(8) . . ?
C34 C35 H35 119.5 . . ?
C75 C69 N11 120.8(8) . . ?
C75 C69 C70 121.0(9) . . ?
C70 C69 N11 118.1(8) . . ?
C32 C27 N5 121.6(8) . . ?
C32 C27 C28 121.2(9) . . ?
C28 C27 N5 117.2(8) . . ?
C20 C25 C26 120.6(7) . . ?
C24 C25 C26 120.9(7) . . ?
C24 C25 C20 118.0(8) . . ?
N4 C26 N5 111.5(7) . . ?
N4 C26 C25 126.8(7) . . ?
N5 C26 C25 121.6(8) . . ?
C93 C83 H83 120.5 . . ?
C93 C83 C72 118.9(7) . . ?
C72 C83 H83 120.5 . . ?
C94 C93 H93 120.2 . . ?
C83 C93 C94 119.6(7) . . ?
C83 C93 H93 120.2 . . ?
C61 C72 N9 118.7(7) . . ?
C61 C72 C83 123.3(8) . . ?
C83 C72 N9 118.0(7) . . ?
Ru1 C91 H91 129.6 . . ?
C87 C91 Ru1 71.2(5) . . ?
C87 C91 H91 119.4 . . ?
C92 C91 Ru1 72.3(5) . . ?
C92 C91 C87 121.2(8) . . ?
C92 C91 H91 119.4 . . ?
C62 C63 H63 120.9 . . ?
C64 C63 C62 118.2(8) . . ?
C64 C63 H63 120.9 . . ?
O4 N6 O3 123.6(10) . . ?
O4 N6 C22 118.8(9) . . ?
O3 N6 C22 117.5(9) . . ?
C97 C96 N8 120.5(8) . . ?
C54 C96 N8 118.3(8) . . ?
C54 C96 C97 121.2(8) . . ?
C53 C52 H52 119.3 . . ?
C51 C52 H52 119.3 . . ?
C51 C52 C53 121.3(9) . . ?
C96 C97 H97 121.2 . . ?
C96 C97 C51 117.5(9) . . ?
C51 C97 H97 121.2 . . ?
C69 C75 H75 120.0 . . ?
C74 C75 C69 120.1(9) . . ?
C74 C75 H75 120.0 . . ?
Ru1 C85 H85 132.4 . . ?
C86 C85 Ru1 68.1(4) . . ?
C86 C85 H85 119.9 . . ?
C84 C85 Ru1 72.6(5) . . ?
C84 C85 C86 120.3(8) . . ?
C84 C85 H85 119.9 . . ?
C81 C80 H80 121.4 . . ?
C79 C80 C81 117.3(8) . . ?
C79 C80 H80 121.4 . . ?
C59 C60 N1 131.3(8) . . ?
C59 C60 C55 119.7(8) . . ?
C55 C60 N1 109.0(7) . . ?
N7 C7 N10 111.0(7) . . ?
N7 C7 C6 117.0(7) . . ?
N10 C7 C6 131.1(7) . . ?
C85 C84 Ru1 71.9(5) . . ?
C85 C84 C82 120.2(8) . . ?
C92 C84 Ru1 68.9(4) . . ?
C92 C84 C85 119.3(8) . . ?
C92 C84 C82 120.3(8) . . ?
C82 C84 Ru1 127.6(6) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
C5 C4 C3 117.9(7) . . ?
C2 C3 N3 118.9(8) . . ?
C2 C3 C4 122.7(8) . . ?
C4 C3 N3 118.3(7) . . ?
C50 C6 C7 113.2(7) . . ?
C5 C6 C50 121.4(8) . . ?
C5 C6 C7 125.4(8) . . ?
C52 C53 H53 120.6 . . ?
C52 C53 C54 118.7(10) . . ?
C54 C53 H53 120.6 . . ?
C27 C32 H32 119.9 . . ?
C27 C32 C31 120.2(10) . . ?
C31 C32 H32 119.9 . . ?
Ru2 C41 H41 131.6 . . ?
C42 C41 Ru2 67.6(5) . . ?
C42 C41 H41 119.7 . . ?
C40 C41 Ru2 73.9(5) . . ?
C40 C41 H41 119.7 . . ?
C40 C41 C42 120.6(9) . . ?
C9 C8 N10 118.9(9) . . ?
C9 C8 C13 122.9(10) . . ?
C13 C8 N10 118.2(9) . . ?
C42 C43 Ru2 70.4(5) . . ?
C42 C43 C44 121.6(9) . . ?
C47 C43 Ru2 71.5(6) . . ?
C47 C43 C42 117.3(9) . . ?
C47 C43 C44 121.1(9) . . ?
C44 C43 Ru2 127.5(6) . . ?
N7 C19 C18 132.8(8) . . ?
N7 C19 C14 107.9(7) . . ?
C18 C19 C14 119.3(8) . . ?
C60 C55 N8 106.1(7) . . ?
C56 C55 N8 131.3(8) . . ?
C56 C55 C60 122.6(8) . . ?
C25 C20 H20 119.7 . . ?
C21 C20 C25 120.7(8) . . ?
C21 C20 H20 119.7 . . ?
C63 C64 N12 117.9(8) . . ?
C63 C64 C65 122.4(8) . . ?
C65 C64 N12 119.7(8) . . ?
C52 C51 C97 121.2(9) . . ?
C52 C51 H51 119.4 . . ?
C97 C51 H51 119.4 . . ?
C19 C18 H18 120.9 . . ?
C19 C18 C17 118.3(9) . . ?
C17 C18 H18 120.9 . . ?
Ru2 C42 H42 125.9 . . ?
C41 C42 Ru2 74.8(5) . . ?
C41 C42 C43 119.9(9) . . ?
C41 C42 H42 120.1 . . ?
C43 C42 Ru2 71.1(5) . . ?
C43 C42 H42 120.1 . . ?
C67 C66 H66 120.1 . . ?
C65 C66 C67 119.8(8) . . ?
C65 C66 H66 120.1 . . ?
C33 C34 H34 121.4 . . ?
C35 C34 C33 117.1(8) . . ?
C35 C34 H34 121.4 . . ?
C96 C54 C53 120.0(9) . . ?
C96 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C59 C58 H58 119.1 . . ?
C59 C58 C57 121.7(8) . . ?
C57 C58 H58 119.1 . . ?
Ru2 C47 H47 129.2 . . ?
C43 C47 Ru2 71.6(6) . . ?
C43 C47 H47 119.2 . . ?
C48 C47 Ru2 72.5(6) . . ?
C48 C47 C43 121.6(9) . . ?
C48 C47 H47 119.2 . . ?
C75 C74 H74 120.3 . . ?
C73 C74 C75 119.4(10) . . ?
C73 C74 H74 120.3 . . ?
C55 C56 H56 121.8 . . ?
C57 C56 C55 116.3(9) . . ?
C57 C56 H56 121.8 . . ?
C4 C5 C6 120.3(8) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C41 C40 Ru2 71.0(5) . . ?
C41 C40 C48 117.8(9) . . ?
C41 C40 C39 121.0(9) . . ?
C48 C40 Ru2 67.8(5) . . ?
C48 C40 C39 121.1(8) . . ?
C39 C40 Ru2 129.4(6) . . ?
C18 C17 H17 119.5 . . ?
C18 C17 C16 121.1(9) . . ?
C16 C17 H17 119.5 . . ?
C64 C65 H65 120.3 . . ?
C66 C65 C64 119.5(8) . . ?
C66 C65 H65 120.3 . . ?
C27 C28 H28 121.1 . . ?
C27 C28 C29 117.8(10) . . ?
C29 C28 H28 121.1 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
Ru1 C92 H92 127.4 . . ?
C91 C92 Ru1 70.0(5) . . ?
C91 C92 H92 119.5 . . ?
C84 C92 Ru1 75.2(5) . . ?
C84 C92 C91 121.0(8) . . ?
C84 C92 H92 119.5 . . ?
C20 C21 H21 120.7 . . ?
C20 C21 C22 118.6(9) . . ?
C22 C21 H21 120.7 . . ?
C87 C88 C89 111.3(8) . . ?
C87 C88 H88 107.5 . . ?
C87 C88 C90 112.0(8) . . ?
C89 C88 H88 107.5 . . ?
C89 C88 C90 110.9(8) . . ?
C90 C88 H88 107.5 . . ?
C25 C24 H24 118.6 . . ?
C23 C24 C25 122.8(8) . . ?
C23 C24 H24 118.6 . . ?
C24 C23 H23 121.8 . . ?
C24 C23 C22 116.4(8) . . ?
C22 C23 H23 121.8 . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.1(11) . . ?
C10 C9 H9 119.9 . . ?
Ru2 C48 H48 126.2 . . ?
C47 C48 Ru2 71.0(5) . . ?
C47 C48 C40 122.7(9) . . ?
C47 C48 H48 118.6 . . ?
C40 C48 Ru2 76.1(5) . . ?
C40 C48 H48 118.6 . . ?
C8 C13 H13 120.5 . . ?
C12 C13 C8 119.0(11) . . ?
C12 C13 H13 120.5 . . ?
C70 C71 H71 119.7 . . ?
C73 C71 H71 119.7 . . ?
C73 C71 C70 120.6(10) . . ?
Cl15 C03P Cl16 109.5(7) . . ?
Cl15 C03P H03A 112.1 . . ?
Cl15 C03P H03P 104.7 . . ?
Cl15 C03P Cl17 111.1(6) . . ?
Cl14 C03P Cl15 112.5(6) . . ?
Cl14 C03P Cl16 97.6(7) . . ?
Cl14 C03P H03A 112.1 . . ?
Cl14 C03P H03P 104.7 . . ?
Cl14 C03P Cl17 117.8(7) . . ?
Cl16 C03P H03A 112.1 . . ?
Cl17 C03P H03P 104.7 . . ?
C69 C70 C71 117.0(10) . . ?
C69 C70 H70 121.5 . . ?
C71 C70 H70 121.5 . . ?
C21 C22 N6 118.7(9) . . ?
C21 C22 C23 123.4(9) . . ?
C23 C22 N6 117.7(9) . . ?
C13 C12 H12 120.9 . . ?
C13 C12 C11 118.1(11) . . ?
C11 C12 H12 120.9 . . ?
C32 C31 H31 120.2 . . ?
C30 C31 C32 119.6(11) . . ?
C30 C31 H31 120.2 . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C40 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C43 C44 H44 106.9 . . ?
C43 C44 C46 110.9(8) . . ?
C45 C44 C43 114.6(9) . . ?
C45 C44 H44 106.9 . . ?
C45 C44 C46 110.2(9) . . ?
C46 C44 H44 106.9 . . ?
C58 C57 H57 119.3 . . ?
C56 C57 C58 121.5(9) . . ?
C56 C57 H57 119.3 . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.8(9) . . ?
C16 C15 H15 120.6 . . ?
C28 C29 H29 120.3 . . ?
C30 C29 C28 119.5(10) . . ?
C30 C29 H29 120.3 . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
N10 C14 C19 105.3(7) . . ?
C15 C14 N10 132.8(9) . . ?
C15 C14 C19 121.9(8) . . ?
C84 C82 H82A 109.5 . . ?
C84 C82 H82B 109.5 . . ?
C84 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
Cl2 C042 H042 108.7 . . ?
Cl3 C042 Cl2 110.9(5) . . ?
Cl3 C042 Cl1 110.2(5) . . ?
Cl3 C042 H042 108.7 . . ?
Cl1 C042 Cl2 109.5(6) . . ?
Cl1 C042 H042 108.7 . . ?
Cl10 C043 Cl11 109.5(6) . . ?
Cl10 C043 Cl12 121.9(8) . . ?
Cl10 C043 H04A 105.0 . . ?
Cl10 C043 H043 111.3 . . ?
Cl10 C043 Cl13 102.8(6) . . ?
Cl11 C043 Cl12 109.0(9) . . ?
Cl11 C043 H04A 105.0 . . ?
Cl11 C043 H043 111.3 . . ?
Cl11 C043 Cl13 110.3(7) . . ?
Cl12 C043 H04A 105.0 . . ?
Cl13 C043 H043 111.3 . . ?
C74 C73 C71 121.9(10) . . ?
C74 C73 H73 119.0 . . ?
C71 C73 H73 119.0 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C12 C11 H11 118.9 . . ?
C10 C11 C12 122.1(11) . . ?
C10 C11 H11 118.9 . . ?
C9 C10 H10 121.2 . . ?
C11 C10 C9 117.6(12) . . ?
C11 C10 H10 121.2 . . ?
C31 C30 C29 121.6(11) . . ?
C31 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.6(9) . . ?
C15 C16 H16 119.7 . . ?
Cl5 C04A H04B 109.2 . . ?
Cl6 C04A Cl5 108.9(6) . . ?
Cl6 C04A H04B 109.2 . . ?
Cl4 C04A Cl5 110.4(6) . . ?
Cl4 C04A Cl6 109.7(7) . . ?
Cl4 C04A H04B 109.2 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
Cl8 C04C H04C 109.1 . . ?
Cl9 C04C Cl8 108.8(7) . . ?
Cl9 C04C Cl7 110.2(7) . . ?
Cl9 C04C H04C 109.1 . . ?
Cl7 C04C Cl8 110.6(8) . . ?
Cl7 C04C H04C 109.1 . . ?
Cl20 Cl20 C49 148.6(10) 2_657 . ?
Cl21 C3B H3B 110.4 . . ?
Cl19 C3B Cl21 108.5(6) . . ?
Cl19 C3B H3B 110.4 . . ?
Cl18 C3B Cl21 112.3(7) . . ?
Cl18 C3B Cl19 104.7(7) . . ?
Cl18 C3B H3B 110.4 . . ?
Cl21 C49 Cl19 109.7(7) . . ?
Cl21 C49 H49 109.8 . . ?
Cl19 C49 H49 109.8 . . ?
Cl20 C49 Cl21 109.3(7) . . ?
Cl20 C49 Cl19 108.5(7) . . ?
Cl20 C49 H49 109.8 . . ?

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 N1 C95 N8 -177.5(5) . . . . ?
Ru1 N1 C95 C94 -2.8(9) . . . . ?
Ru1 N1 C60 C59 -3.2(15) . . . . ?
Ru1 N1 C60 C55 175.7(6) . . . . ?
Ru1 N2 C81 C76 -179.2(5) . . . . ?
Ru1 N2 C81 C80 1.2(11) . . . . ?
Ru1 N2 C68 N11 179.3(5) . . . . ?
Ru1 N2 C68 C67 -3.9(11) . . . . ?
Ru1 C1 C94 C95 4.1(8) . . . . ?
Ru1 C1 C94 C93 -176.2(6) . . . . ?
Ru1 C87 C86 C85 57.2(7) . . . . ?
Ru1 C87 C91 C92 -54.5(7) . . . . ?
Ru1 C87 C88 C89 -170.8(7) . . . . ?
Ru1 C87 C88 C90 64.4(11) . . . . ?
Ru1 C86 C85 C84 52.6(7) . . . . ?
Ru1 C91 C92 C84 -57.5(7) . . . . ?
Ru1 C85 C84 C92 51.8(7) . . . . ?
Ru1 C85 C84 C82 -123.5(8) . . . . ?
Ru1 C84 C92 C91 55.1(7) . . . . ?
Ru2 N4 C38 C37 -1.3(11) . . . . ?
Ru2 N4 C38 C33 177.6(5) . . . . ?
Ru2 N4 C26 N5 -177.3(5) . . . . ?
Ru2 N4 C26 C25 4.3(11) . . . . ?
Ru2 N7 C7 N10 175.8(5) . . . . ?
Ru2 N7 C7 C6 5.4(10) . . . . ?
Ru2 N7 C19 C18 5.2(17) . . . . ?
Ru2 N7 C19 C14 -174.8(6) . . . . ?
Ru2 C50 C2 C3 -179.2(6) . . . . ?
Ru2 C50 C6 C7 -4.1(9) . . . . ?
Ru2 C50 C6 C5 176.2(6) . . . . ?
Ru2 C41 C42 C43 57.0(7) . . . . ?
Ru2 C41 C40 C48 -50.8(7) . . . . ?
Ru2 C41 C40 C39 125.2(8) . . . . ?
Ru2 C43 C42 C41 -58.9(7) . . . . ?
Ru2 C43 C47 C48 54.7(8) . . . . ?
Ru2 C43 C44 C45 -66.6(12) . . . . ?
Ru2 C43 C44 C46 167.8(8) . . . . ?
Ru2 C47 C48 C40 58.4(8) . . . . ?
Ru2 C40 C48 C47 -56.1(7) . . . . ?
N11 C68 C67 C62 -74.4(10) . . . . ?
N11 C68 C67 C66 99.3(9) . . . . ?
N11 C76 C77 C78 179.3(8) . . . . ?
N11 C69 C75 C74 176.0(8) . . . . ?
N11 C69 C70 C71 -176.3(8) . . . . ?
N4 C38 C37 C36 178.2(7) . . . . ?
N4 C38 C33 N5 0.4(8) . . . . ?
N4 C38 C33 C34 -178.0(7) . . . . ?
N1 C60 C55 N8 -0.3(9) . . . . ?
N1 C60 C55 C56 178.5(8) . . . . ?
N5 C33 C34 C35 -179.0(8) . . . . ?
N5 C27 C32 C31 -176.9(9) . . . . ?
N5 C27 C28 C29 174.5(8) . . . . ?
N2 C81 C76 N11 -0.4(8) . . . . ?
N2 C81 C76 C77 179.2(7) . . . . ?
N2 C81 C80 C79 -179.0(8) . . . . ?
N2 C68 C67 C62 109.0(9) . . . . ?
N2 C68 C67 C66 -77.3(11) . . . . ?
O6 N9 C72 C61 174.8(8) . . . . ?
O6 N9 C72 C83 -4.3(11) . . . . ?
O1 N3 C3 C2 -178.3(8) . . . . ?
O1 N3 C3 C4 -1.5(11) . . . . ?
N8 C96 C97 C51 -179.4(8) . . . . ?
N8 C96 C54 C53 179.5(8) . . . . ?
N8 C55 C56 C57 -178.6(9) . . . . ?
O7 N12 C64 C63 172.3(9) . . . . ?
O7 N12 C64 C65 -7.1(14) . . . . ?
N7 C7 C6 C50 -0.8(11) . . . . ?
N7 C7 C6 C5 178.8(8) . . . . ?
N7 C19 C18 C17 -179.2(10) . . . . ?
N7 C19 C14 N10 0.8(10) . . . . ?
N7 C19 C14 C15 -179.9(10) . . . . ?
C38 N4 C26 N5 0.7(8) . . . . ?
C38 N4 C26 C25 -177.6(7) . . . . ?
C38 C33 C34 C35 -1.0(12) . . . . ?
O5 N9 C72 C61 -4.9(12) . . . . ?
O5 N9 C72 C83 175.9(8) . . . . ?
N12 C64 C65 C66 176.6(8) . . . . ?
O8 N12 C64 C63 -6.9(14) . . . . ?
O8 N12 C64 C65 173.6(9) . . . . ?
C81 N2 C68 N11 -0.3(8) . . . . ?
C81 N2 C68 C67 176.5(7) . . . . ?
C81 C76 C77 C78 -0.1(12) . . . . ?
C50 C2 C3 N3 178.7(7) . . . . ?
C50 C2 C3 C4 2.0(13) . . . . ?
C50 C6 C5 C4 3.5(13) . . . . ?
C68 N11 C76 C81 0.2(8) . . . . ?
C68 N11 C76 C77 -179.3(8) . . . . ?
C68 N11 C69 C75 79.8(11) . . . . ?
C68 N11 C69 C70 -103.1(10) . . . . ?
C68 N2 C81 C76 0.4(8) . . . . ?
C68 N2 C81 C80 -179.2(8) . . . . ?
C68 C67 C62 C63 173.0(8) . . . . ?
C68 C67 C66 C65 -172.1(8) . . . . ?
C79 C78 C77 C76 1.0(12) . . . . ?
C36 C35 C34 C33 0.6(12) . . . . ?
O2 N3 C3 C2 1.3(12) . . . . ?
O2 N3 C3 C4 178.1(8) . . . . ?
C76 N11 C68 N2 0.1(8) . . . . ?
C76 N11 C68 C67 -177.1(7) . . . . ?
C76 N11 C69 C75 -101.7(10) . . . . ?
C76 N11 C69 C70 75.4(10) . . . . ?
C76 C81 C80 C79 1.5(11) . . . . ?
N10 C7 C6 C50 -169.0(9) . . . . ?
N10 C7 C6 C5 10.7(15) . . . . ?
N10 C8 C9 C10 -177.9(9) . . . . ?
N10 C8 C13 C12 179.5(8) . . . . ?
C37 C38 C33 N5 179.5(7) . . . . ?
C37 C38 C33 C34 1.0(11) . . . . ?
C37 C36 C35 C34 -0.2(13) . . . . ?
C61 C1 C94 C95 -177.5(7) . . . . ?
C61 C1 C94 C93 2.2(11) . . . . ?
C78 C79 C80 C81 -0.5(12) . . . . ?
C1 C61 C72 N9 -176.7(7) . . . . ?
C1 C61 C72 C83 2.5(12) . . . . ?
C1 C94 C95 N1 -0.9(10) . . . . ?
C1 C94 C95 N8 172.7(8) . . . . ?
C1 C94 C93 C83 -1.2(12) . . . . ?
C33 N5 C27 C32 104.4(10) . . . . ?
C33 N5 C27 C28 -72.8(10) . . . . ?
C33 N5 C26 N4 -0.5(8) . . . . ?
C33 N5 C26 C25 178.0(7) . . . . ?
C33 C38 C37 C36 -0.5(11) . . . . ?
C67 C62 C63 C64 -1.9(13) . . . . ?
C67 C66 C65 C64 -0.1(13) . . . . ?
C62 C67 C66 C65 1.8(12) . . . . ?
C62 C63 C64 N12 -175.7(8) . . . . ?
C62 C63 C64 C65 3.8(14) . . . . ?
C2 C50 C6 C7 174.2(7) . . . . ?
C2 C50 C6 C5 -5.5(12) . . . . ?
C87 C86 C85 Ru1 -55.4(7) . . . . ?
C87 C86 C85 C84 -2.8(12) . . . . ?
C87 C91 C92 Ru1 54.0(7) . . . . ?
C87 C91 C92 C84 -3.5(12) . . . . ?
C59 C60 C55 N8 178.7(8) . . . . ?
C59 C60 C55 C56 -2.4(14) . . . . ?
C59 C58 C57 C56 -0.9(15) . . . . ?
C95 N1 C60 C59 -177.6(9) . . . . ?
C95 N1 C60 C55 1.3(9) . . . . ?
C95 N8 C96 C97 -76.0(11) . . . . ?
C95 N8 C96 C54 106.3(10) . . . . ?
C95 N8 C55 C60 -0.7(9) . . . . ?
C95 N8 C55 C56 -179.5(9) . . . . ?
C95 C94 C93 C83 178.4(8) . . . . ?
C86 C87 C91 Ru1 56.4(6) . . . . ?
C86 C87 C91 C92 2.0(11) . . . . ?
C86 C87 C88 C89 95.8(11) . . . . ?
C86 C87 C88 C90 -29.0(12) . . . . ?
C86 C85 C84 Ru1 -50.6(7) . . . . ?
C86 C85 C84 C92 1.2(12) . . . . ?
C86 C85 C84 C82 -174.1(7) . . . . ?
C35 C36 C37 C38 0.1(12) . . . . ?
C69 N11 C68 N2 178.8(7) . . . . ?
C69 N11 C68 C67 1.7(11) . . . . ?
C69 N11 C76 C81 -178.6(7) . . . . ?
C69 N11 C76 C77 1.9(13) . . . . ?
C69 C75 C74 C73 0.4(14) . . . . ?
O4 N6 C22 C21 178.2(11) . . . . ?
O4 N6 C22 C23 -4.8(17) . . . . ?
C27 N5 C33 C38 178.4(7) . . . . ?
C27 N5 C33 C34 -3.4(13) . . . . ?
C27 N5 C26 N4 -178.7(7) . . . . ?
C27 N5 C26 C25 -0.3(12) . . . . ?
C27 C32 C31 C30 3.3(16) . . . . ?
C27 C28 C29 C30 2.0(15) . . . . ?
C25 C20 C21 C22 1.8(14) . . . . ?
C25 C24 C23 C22 -0.3(14) . . . . ?
C26 N4 C38 C37 -179.6(8) . . . . ?
C26 N4 C38 C33 -0.7(8) . . . . ?
C26 N5 C33 C38 0.0(8) . . . . ?
C26 N5 C33 C34 178.3(8) . . . . ?
C26 N5 C27 C32 -77.6(11) . . . . ?
C26 N5 C27 C28 105.2(10) . . . . ?
C26 C25 C20 C21 -174.4(9) . . . . ?
C26 C25 C24 C23 173.6(9) . . . . ?
O3 N6 C22 C21 -4.4(17) . . . . ?
O3 N6 C22 C23 172.6(11) . . . . ?
C93 C94 C95 N1 179.5(8) . . . . ?
C93 C94 C95 N8 -7.0(14) . . . . ?
C93 C83 C72 N9 177.7(7) . . . . ?
C93 C83 C72 C61 -1.4(12) . . . . ?
C72 C61 C1 Ru1 175.5(6) . . . . ?
C72 C61 C1 C94 -2.7(11) . . . . ?
C72 C83 C93 C94 0.7(12) . . . . ?
C91 C87 C86 Ru1 -56.1(6) . . . . ?
C91 C87 C86 C85 1.1(11) . . . . ?
C91 C87 C88 C89 -81.3(10) . . . . ?
C91 C87 C88 C90 154.0(9) . . . . ?
C63 C64 C65 C66 -2.8(14) . . . . ?
C96 N8 C95 N1 178.8(8) . . . . ?
C96 N8 C95 C94 5.0(15) . . . . ?
C96 N8 C55 C60 -178.1(8) . . . . ?
C96 N8 C55 C56 3.1(15) . . . . ?
C96 C97 C51 C52 0.3(14) . . . . ?
C52 C53 C54 C96 -0.4(14) . . . . ?
C97 C96 C54 C53 1.7(13) . . . . ?
C75 C69 C70 C71 0.9(13) . . . . ?
C75 C74 C73 C71 0.6(15) . . . . ?
C85 C84 C92 Ru1 -53.2(7) . . . . ?
C85 C84 C92 C91 1.9(12) . . . . ?
C80 C81 C76 N11 179.3(7) . . . . ?
C80 C81 C76 C77 -1.2(12) . . . . ?
C80 C79 C78 C77 -0.7(12) . . . . ?
C60 N1 C95 N8 -1.8(9) . . . . ?
C60 N1 C95 C94 172.9(7) . . . . ?
C60 C59 C58 C57 1.4(15) . . . . ?
C60 C55 C56 C57 2.9(14) . . . . ?
C7 N7 C19 C18 179.2(10) . . . . ?
C7 N7 C19 C14 -0.8(10) . . . . ?
C7 N10 C8 C9 -95.2(12) . . . . ?
C7 N10 C8 C13 87.1(11) . . . . ?
C7 N10 C14 C19 -0.5(10) . . . . ?
C7 N10 C14 C15 -179.6(12) . . . . ?
C7 C6 C5 C4 -176.1(8) . . . . ?
C3 C4 C5 C6 1.3(12) . . . . ?
C6 C50 C2 C3 2.8(12) . . . . ?
C53 C52 C51 C97 1.0(15) . . . . ?
C32 C27 C28 C29 -2.7(14) . . . . ?
C32 C31 C30 C29 -4.1(17) . . . . ?
C41 C40 C48 Ru2 52.3(7) . . . . ?
C41 C40 C48 C47 -3.8(12) . . . . ?
C8 N10 C7 N7 -176.6(8) . . . . ?
C8 N10 C7 C6 -8.0(16) . . . . ?
C8 N10 C14 C19 176.4(8) . . . . ?
C8 N10 C14 C15 -2.7(18) . . . . ?
C8 C9 C10 C11 -1.4(16) . . . . ?
C8 C13 C12 C11 -1.6(14) . . . . ?
C43 C47 C48 Ru2 -54.3(8) . . . . ?
C43 C47 C48 C40 4.1(13) . . . . ?
C19 N7 C7 N10 0.5(10) . . . . ?
C19 N7 C7 C6 -169.9(7) . . . . ?
C19 C18 C17 C16 0.2(16) . . . . ?
C55 N8 C95 N1 1.6(10) . . . . ?
C55 N8 C95 C94 -172.1(8) . . . . ?
C55 N8 C96 C97 100.8(10) . . . . ?
C55 N8 C96 C54 -77.0(11) . . . . ?
C55 C56 C57 C58 -1.2(14) . . . . ?
C20 C25 C26 N4 -110.2(9) . . . . ?
C20 C25 C26 N5 71.7(10) . . . . ?
C20 C25 C24 C23 1.0(13) . . . . ?
C20 C21 C22 N6 175.7(10) . . . . ?
C20 C21 C22 C23 -1.1(16) . . . . ?
C51 C52 C53 C54 -0.9(15) . . . . ?
C18 C19 C14 N10 -179.2(9) . . . . ?
C18 C19 C14 C15 0.1(16) . . . . ?
C18 C17 C16 C15 -2.1(18) . . . . ?
C42 C41 C40 Ru2 50.9(7) . . . . ?
C42 C41 C40 C48 0.1(13) . . . . ?
C42 C41 C40 C39 176.1(8) . . . . ?
C42 C43 C47 Ru2 -55.2(7) . . . . ?
C42 C43 C47 C48 -0.5(13) . . . . ?
C42 C43 C44 C45 22.0(13) . . . . ?
C42 C43 C44 C46 -103.6(11) . . . . ?
C66 C67 C62 C63 -0.8(12) . . . . ?
C54 C96 C97 C51 -1.7(13) . . . . ?
C58 C59 C60 N1 179.0(9) . . . . ?
C58 C59 C60 C55 0.2(13) . . . . ?
C47 C43 C42 Ru2 55.8(7) . . . . ?
C47 C43 C42 C41 -3.1(13) . . . . ?
C47 C43 C44 C45 -156.4(9) . . . . ?
C47 C43 C44 C46 78.0(12) . . . . ?
C5 C4 C3 N3 179.2(8) . . . . ?
C5 C4 C3 C2 -4.2(13) . . . . ?
C40 C41 C42 Ru2 -53.7(8) . . . . ?
C40 C41 C42 C43 3.3(13) . . . . ?
C28 C27 C32 C31 0.2(15) . . . . ?
C28 C29 C30 C31 1.4(17) . . . . ?
C88 C87 C86 Ru1 126.8(8) . . . . ?
C88 C87 C86 C85 -176.0(8) . . . . ?
C88 C87 C91 Ru1 -126.3(8) . . . . ?
C88 C87 C91 C92 179.2(8) . . . . ?
C24 C25 C26 N4 77.4(11) . . . . ?
C24 C25 C26 N5 -100.8(10) . . . . ?
C24 C25 C20 C21 -1.7(13) . . . . ?
C24 C23 C22 N6 -176.5(9) . . . . ?
C24 C23 C22 C21 0.3(15) . . . . ?
C9 C8 C13 C12 1.9(14) . . . . ?
C13 C8 C9 C10 -0.3(15) . . . . ?
C13 C12 C11 C10 -0.1(16) . . . . ?
C70 C69 C75 C74 -1.1(14) . . . . ?
C70 C71 C73 C74 -0.9(16) . . . . ?
C12 C11 C10 C9 1.7(17) . . . . ?
C39 C40 C48 Ru2 -123.7(8) . . . . ?
C39 C40 C48 C47 -179.8(8) . . . . ?
C44 C43 C42 Ru2 -122.7(9) . . . . ?
C44 C43 C42 C41 178.4(8) . . . . ?
C44 C43 C47 Ru2 123.3(9) . . . . ?
C44 C43 C47 C48 178.0(8) . . . . ?
C14 N10 C7 N7 0.0(10) . . . . ?
C14 N10 C7 C6 168.7(9) . . . . ?
C14 N10 C8 C9 88.6(11) . . . . ?
C14 N10 C8 C13 -89.1(11) . . . . ?
C14 C19 C18 C17 0.8(15) . . . . ?
C14 C15 C16 C17 2.9(19) . . . . ?
C82 C84 C92 Ru1 122.1(7) . . . . ?
C82 C84 C92 C91 177.2(8) . . . . ?
C73 C71 C70 C69 0.1(14) . . . . ?
C16 C15 C14 N10 177.1(11) . . . . ?
C16 C15 C14 C19 -1.9(18) . . . . ?
Cl20 Cl20 C49 Cl21 8(2) 2_657 . . . ?
Cl20 Cl20 C49 Cl19 127.6(16) 2_657 . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: CDCl3'
####################################################################### 
# 
# 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_ml-sm10
_database_code_depnum_ccdc_archive 'CCDC 1987942'
loop_
_audit_author_name
_audit_author_address
'Stanislav Bezzubov'
;Kurnakov Institute of General and Inorganic Chemistry of Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-03-03 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_audit_creation_date             2020-03-03
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
bezzubov@igic.ras.ru
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '1.5(C47 H37 N6 O8 Ru), 1.5(F6 P), C H2 Cl2'
_chemical_formula_sum            'C71.50 H57.50 Cl2 F9 N9 O12 P1.50 Ru1.50'
_chemical_formula_weight         1674.72
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   53.215(3)
_cell_length_b                   12.7933(6)
_cell_length_c                   21.3714(9)
_cell_angle_alpha                90
_cell_angle_beta                 102.3941(15)
_cell_angle_gamma                90
_cell_volume                     14210.4(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    150
_cell_measurement_theta_max      30.34
_cell_measurement_theta_min      2.48
_shelx_estimated_absorpt_T_max   0.959
_shelx_estimated_absorpt_T_min   0.911
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0752 before and 0.0544 after correction. The Ratio of minimum to maximum transmission is 0.8198. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6792
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       62
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            55769
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.500
_diffrn_reflns_theta_max         24.500
_diffrn_reflns_theta_min         1.639
_diffrn_ambient_temperature      150
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10659
_reflns_number_total             11798
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing.bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker AXS, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.085
_refine_diff_density_min         -1.440
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     951
_refine_ls_number_reflns         11798
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0735
_refine_ls_restrained_S_all      1.192
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+169.6408P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1610
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Ru2-Ru2_$1
 0.3 with sigma of 0.02
 Cl2-C81 \\sim Cl3-C81
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N7) = Uanis(C66)
Uanis(Cl3) = Uanis(Cl2)
Uanis(C63) = Uanis(C64) = Uanis(C65) = Uanis(C66) = Uanis(C61) = Uanis(C62) =
Uanis(N8) = Uanis(C54) = Uanis(N7)
Uanis(C53) = Uanis(C52) = Uanis(C51) = Uanis(C50) = Uanis(C49) = Uanis(C48)
Uanis(C60) = Uanis(C58) = Uanis(C57) = Uanis(C56) = Uanis(C55)
Uanis(C59) = Uanis(C60) = Uanis(C55) = Uanis(C57) = Uanis(C58)
Uanis(Cl3) = Uanis(Cl2) = Uanis(Cl1)
4. Others
 Fixed Sof: Ru2(0.5) Cl3(0.5) H81C(0.5) H81D(0.5) H81A(0.5) H81B(0.5) C61(0.5)
 C50(0.5) H50(0.5) C64(0.5) H64(0.5) N7(0.5) C56(0.5) H56(0.5) N8(0.5) C66(0.5)
 C51(0.5) H51(0.5) C63(0.5) H63(0.5) C55(0.5) C53(0.5) C48(0.5) C62(0.5)
 H62(0.5) C60(0.5) H60(0.5) C49(0.5) H49(0.5) Cl2(0.5) C52(0.5) H52(0.5)
 C65(0.5) H65(0.5) C58(0.5) H58(0.5) C57(0.5) H57(0.5) C59(0.5) H59(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C81(H81C,H81D), C81(H81A,H81B)
5.b Aromatic/amide H refined with riding coordinates:
 C73(H73), C37(H37), C23(H23), C21(H21), C42(H42), C35(H35), C26(H26),
 C18(H18), C29(H29), C5(H5), C28(H28), C70(H70), C2(H2), C20(H20), C68(H68),
 C43(H43), C75(H75), C40(H40), C17(H17), C34(H34), C76(H76), C9(H9), C16(H16),
 C3(H3), C67(H67), C15(H15), C11(H11), C12(H12), C13(H13), C4(H4), C10(H10),
 C50(H50), C64(H64), C56(H56), C51(H51), C63(H63), C62(H62), C60(H60), C49(H49),
  C52(H52), C65(H65), C58(H58), C57(H57), C59(H59)
5.c Idealised Me refined as rotating group:
 C45(H45A,H45B,H45C), C31(H31A,H31B,H31C), C80(H80A,H80B,H80C), C78(H78A,H78B,
 H78C), C47(H47A,H47B,H47C), C33(H33A,H33B,H33C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.34944(2) 0.16715(3) 0.43783(2) 0.02254(13) Uani 1 1 d . . . . .
Ru2 Ru 0.49591(6) 0.35385(6) 0.7477(3) 0.0213(6) Uani 0.5 1 d D . P A -1
P1 P 0.66884(3) 0.50262(14) 0.34155(8) 0.0414(4) Uani 1 1 d . . . . .
P2 P 0.500000 0.000000 0.500000 0.0451(6) Uani 1 2 d S . P . .
Cl3 Cl 0.2760(2) 0.7996(7) 0.0772(4) 0.1132(10) Uani 0.5 1 d D . P B 2
Cl1 Cl 0.28958(6) 0.8723(3) 0.21348(15) 0.1132(10) Uani 1 1 d . . . . .
O1 O 0.32941(8) 0.1207(3) 0.10028(18) 0.0369(10) Uani 1 1 d . . . . .
O10 O 0.44946(8) 0.2250(3) 0.43500(17) 0.0341(10) Uani 1 1 d . . . . .
F9 F 0.52059(8) -0.0419(3) 0.4615(2) 0.0563(11) Uani 1 1 d . . . . .
O2 O 0.29380(7) 0.2009(3) 0.11693(17) 0.0322(9) Uani 1 1 d . . . . .
F2 F 0.69269(8) 0.4873(4) 0.3093(2) 0.0594(11) Uani 1 1 d . . . . .
O8 O 0.39471(7) 0.2908(3) 0.75610(17) 0.0314(9) Uani 1 1 d . . . . .
O7 O 0.36672(9) 0.1687(4) 0.77252(18) 0.0453(12) Uani 1 1 d . . . . .
N5 N 0.37621(8) 0.2815(3) 0.45155(19) 0.0201(9) Uani 1 1 d . . . . .
N3 N 0.34195(8) 0.1681(3) 0.33959(19) 0.0204(9) Uani 1 1 d . . . . .
O9 O 0.47895(9) 0.3374(4) 0.41285(19) 0.0454(11) Uani 1 1 d . . . . .
N1 N 0.32644(9) 0.0349(4) 0.4298(2) 0.0268(10) Uani 1 1 d . . . . .
N2 N 0.32183(9) -0.1375(4) 0.4141(2) 0.0291(11) Uani 1 1 d . . . . .
N6 N 0.35643(8) 0.1814(3) 0.53401(19) 0.0211(9) Uani 1 1 d . . . . .
F6 F 0.66148(10) 0.6067(4) 0.3008(2) 0.0714(14) Uani 1 1 d . . . . .
O4 O 0.26126(8) 0.5412(4) 0.29000(19) 0.0429(11) Uani 1 1 d . . . . .
O6 O 0.43654(9) 0.5587(4) 0.55295(19) 0.0423(11) Uani 1 1 d . . . . .
O12 O 0.41032(8) -0.0291(4) 0.63435(19) 0.0424(11) Uani 1 1 d . . . . .
F5 F 0.64486(9) 0.5181(4) 0.3739(2) 0.0745(14) Uani 1 1 d . . . . .
N9 N 0.47138(9) 0.2414(4) 0.7377(2) 0.0279(10) Uani 1 1 d . . . . .
N4 N 0.31961(8) 0.2805(3) 0.41563(19) 0.0219(9) Uani 1 1 d . . . . .
C7 C 0.33943(10) -0.0569(4) 0.4281(2) 0.0191(11) Uani 1 1 d . . . . .
N10 N 0.49052(10) 0.3433(3) 0.6529(2) 0.0338(12) Uani 1 1 d . . . . .
O3 O 0.26132(10) 0.5916(4) 0.3902(2) 0.0502(13) Uani 1 1 d . . . . .
C24 C 0.32283(10) 0.2347(4) 0.3092(2) 0.0199(11) Uani 1 1 d . . . . .
O11 O 0.40889(10) -0.0542(5) 0.7368(2) 0.0596(15) Uani 1 1 d . . . . .
O5 O 0.44057(10) 0.5679(4) 0.4516(2) 0.0595(15) Uani 1 1 d . . . . .
C38 C 0.37434(10) 0.2536(4) 0.5606(2) 0.0215(11) Uani 1 1 d . . . . .
F7 F 0.50476(11) 0.1139(4) 0.4777(3) 0.0875(17) Uani 1 1 d . . . . .
C39 C 0.38511(10) 0.3134(4) 0.5135(2) 0.0210(11) Uani 1 1 d . . . . .
C72 C 0.47161(11) 0.2728(4) 0.6280(3) 0.0283(13) Uani 1 1 d . . . . .
F8 F 0.52188(9) 0.0141(5) 0.5622(2) 0.0894(18) Uani 1 1 d . . . . .
C73 C 0.46390(11) 0.2569(4) 0.5626(3) 0.0285(12) Uani 1 1 d . . . . .
H73 H 0.450578 0.208333 0.546409 0.034 Uiso 1 1 calc R U . . .
C37 C 0.38148(10) 0.2687(4) 0.6262(2) 0.0212(11) Uani 1 1 d . . . . .
H37 H 0.393964 0.319945 0.643491 0.025 Uiso 1 1 calc R U . . .
F1 F 0.68584(10) 0.5681(5) 0.3969(2) 0.0859(16) Uani 1 1 d . . . . .
C23 C 0.31486(10) 0.2359(4) 0.2432(2) 0.0204(11) Uani 1 1 d . . . . .
H23 H 0.301485 0.281670 0.223138 0.025 Uiso 1 1 calc R U . . .
C71 C 0.46122(11) 0.2135(4) 0.6758(3) 0.0274(12) Uani 1 1 d . . . . .
C25 C 0.31142(10) 0.3013(4) 0.3519(2) 0.0201(11) Uani 1 1 d . . . . .
C44 C 0.37656(11) 0.2190(4) 0.7373(3) 0.0279(12) Uani 1 1 d . . . . .
F4 F 0.65183(9) 0.4383(4) 0.2833(3) 0.0823(15) Uani 1 1 d . . . . .
C22 C 0.32652(10) 0.1696(4) 0.2061(2) 0.0229(11) Uani 1 1 d . . . . .
C36 C 0.37016(10) 0.2080(4) 0.6660(2) 0.0230(11) Uani 1 1 d . . . . .
C21 C 0.34659(10) 0.1072(4) 0.2367(2) 0.0249(12) Uani 1 1 d . . . . .
H21 H 0.355511 0.064172 0.212480 0.030 Uiso 1 1 calc R U . . .
F3 F 0.67575(12) 0.3980(4) 0.3799(3) 0.0929(19) Uani 1 1 d . . . . .
C42 C 0.40363(11) 0.4066(4) 0.4174(2) 0.0260(12) Uani 1 1 d . . . . .
H42 H 0.410065 0.437137 0.383429 0.031 Uiso 1 1 calc R U . . .
C35 C 0.35161(11) 0.1356(4) 0.6391(3) 0.0259(12) Uani 1 1 d . . . . .
H35 H 0.343214 0.094783 0.665602 0.031 Uiso 1 1 calc R U . . .
C74 C 0.47555(11) 0.3115(4) 0.5210(3) 0.0262(12) Uani 1 1 d . . . . .
C30 C 0.31730(10) 0.1613(4) 0.1351(2) 0.0241(12) Uani 1 1 d . . . . .
C26 C 0.29406(10) 0.3798(4) 0.3297(2) 0.0235(11) Uani 1 1 d . . . . .
H26 H 0.288511 0.392263 0.285013 0.028 Uiso 1 1 calc R U . . .
C6 C 0.36678(11) -0.0530(4) 0.4393(3) 0.0270(12) Uani 1 1 d . . . . .
C79 C 0.46870(11) 0.2933(4) 0.4505(3) 0.0296(13) Uani 1 1 d . . . . .
C18 C 0.27912(11) 0.0749(4) 0.4163(3) 0.0284(12) Uani 1 1 d . . . . .
H18 H 0.280688 0.148152 0.423442 0.034 Uiso 1 1 calc R U . . .
C69 C 0.43492(11) 0.0817(5) 0.7092(3) 0.0297(13) Uani 1 1 d . . . . .
C1 C 0.37669(11) 0.0487(5) 0.4487(2) 0.0285(13) Uani 1 1 d . . . . .
C27 C 0.28485(10) 0.4401(4) 0.3737(3) 0.0261(12) Uani 1 1 d . . . . .
C29 C 0.30970(10) 0.3372(4) 0.4575(2) 0.0240(11) Uani 1 1 d . . . . .
H29 H 0.314857 0.321697 0.501920 0.029 Uiso 1 1 calc R U . . .
C5 C 0.38301(11) -0.1384(5) 0.4426(3) 0.0322(13) Uani 1 1 d . . . . .
H5 H 0.375772 -0.206301 0.435199 0.039 Uiso 1 1 calc R U . . .
C28 C 0.29234(10) 0.4171(4) 0.4386(3) 0.0270(12) Uani 1 1 d . . . . .
H28 H 0.285629 0.455661 0.469282 0.032 Uiso 1 1 calc R U . . .
C70 C 0.44343(11) 0.1339(4) 0.6612(3) 0.0288(13) Uani 1 1 d . . . . .
H70 H 0.436987 0.114920 0.617704 0.035 Uiso 1 1 calc R U . . .
C2 C 0.40365(10) 0.0584(5) 0.4640(3) 0.0294(13) Uani 1 1 d . . . . .
H2 H 0.410846 0.126346 0.471875 0.035 Uiso 1 1 calc R U . . .
C20 C 0.35363(11) 0.1078(4) 0.3031(3) 0.0266(12) Uani 1 1 d . . . . .
H20 H 0.367299 0.063700 0.323555 0.032 Uiso 1 1 calc R U . . .
C68 C 0.44490(12) 0.1119(5) 0.7725(3) 0.0339(14) Uani 1 1 d . . . . .
H68 H 0.439318 0.078557 0.806826 0.041 Uiso 1 1 calc R U . . .
C43 C 0.38594(11) 0.3282(4) 0.4050(2) 0.0270(12) Uani 1 1 d . . . . .
H43 H 0.380193 0.305368 0.362000 0.032 Uiso 1 1 calc R U . . .
C75 C 0.49498(13) 0.3815(4) 0.5462(3) 0.0347(14) Uani 1 1 d . . . . .
H75 H 0.503581 0.418971 0.518631 0.042 Uiso 1 1 calc R U . . .
C8 C 0.32884(11) -0.2469(4) 0.4142(3) 0.0269(12) Uani 1 1 d . . . . .
C14 C 0.29735(10) -0.0991(4) 0.4065(2) 0.0214(11) Uani 1 1 d . . . . .
C46 C 0.43131(11) 0.5297(5) 0.4922(3) 0.0308(13) Uani 1 1 d . . . . .
C41 C 0.41228(10) 0.4421(4) 0.4800(2) 0.0245(12) Uani 1 1 d . . . . .
C19 C 0.30059(10) 0.0115(5) 0.4175(2) 0.0293(13) Uani 1 1 d . . . . .
C40 C 0.40261(10) 0.3943(4) 0.5283(2) 0.0232(11) Uani 1 1 d . . . . .
H40 H 0.408007 0.417127 0.571354 0.028 Uiso 1 1 calc R U . . .
C17 C 0.25532(12) 0.0252(5) 0.4039(3) 0.0384(15) Uani 1 1 d . . . . .
H17 H 0.240346 0.065718 0.403823 0.046 Uiso 1 1 calc R U . . .
C34 C 0.34547(11) 0.1234(4) 0.5739(3) 0.0267(12) Uani 1 1 d . . . . .
H34 H 0.333050 0.072232 0.556006 0.032 Uiso 1 1 calc R U . . .
C76 C 0.50178(14) 0.3967(4) 0.6116(3) 0.0381(15) Uani 1 1 d . . . . .
H76 H 0.514797 0.446224 0.628223 0.046 Uiso 1 1 calc R U . . .
C77 C 0.41669(11) -0.0074(5) 0.6963(3) 0.0357(14) Uani 1 1 d . . . . .
C9 C 0.33607(12) -0.2985(5) 0.4719(3) 0.0382(15) Uani 1 1 d . . . . .
H9 H 0.335573 -0.263263 0.510712 0.046 Uiso 1 1 calc R U . . .
C16 C 0.25257(12) -0.0820(5) 0.3917(3) 0.0415(16) Uani 1 1 d . . . . .
H16 H 0.235870 -0.112173 0.382030 0.050 Uiso 1 1 calc R U . . .
C32 C 0.26755(11) 0.5324(5) 0.3540(3) 0.0338(14) Uani 1 1 d . . . . .
C45 C 0.40199(13) 0.3096(6) 0.8245(3) 0.0440(17) Uani 1 1 d . . . . .
H45A H 0.416507 0.358448 0.833503 0.066 Uiso 1 1 calc R U . . .
H45B H 0.407027 0.243439 0.846767 0.066 Uiso 1 1 calc R U . . .
H45C H 0.387372 0.339587 0.839365 0.066 Uiso 1 1 calc R U . . .
C3 C 0.42012(13) -0.0253(5) 0.4682(3) 0.0422(16) Uani 1 1 d . . . . .
H3 H 0.438233 -0.015534 0.478654 0.051 Uiso 1 1 calc R U . . .
C67 C 0.46288(12) 0.1904(4) 0.7844(3) 0.0341(14) Uani 1 1 d . . . . .
H67 H 0.469674 0.209711 0.827605 0.041 Uiso 1 1 calc R U . . .
C15 C 0.27348(11) -0.1433(5) 0.3936(3) 0.0324(13) Uani 1 1 d . . . . .
H15 H 0.271535 -0.216350 0.385949 0.039 Uiso 1 1 calc R U . . .
C11 C 0.34398(12) -0.4518(5) 0.4151(3) 0.0410(16) Uani 1 1 d . . . . .
H11 H 0.348906 -0.523125 0.414845 0.049 Uiso 1 1 calc R U . . .
C31 C 0.28236(12) 0.1936(6) 0.0489(3) 0.0436(17) Uani 1 1 d . . . . .
H31A H 0.289801 0.247469 0.025676 0.065 Uiso 1 1 calc R U . . .
H31B H 0.263732 0.204188 0.042021 0.065 Uiso 1 1 calc R U . . .
H31C H 0.285850 0.124420 0.033011 0.065 Uiso 1 1 calc R U . . .
C12 C 0.33693(12) -0.4003(5) 0.3586(3) 0.0385(16) Uani 1 1 d . . . . .
H12 H 0.337489 -0.435339 0.319779 0.046 Uiso 1 1 calc R U . . .
C13 C 0.32889(12) -0.2965(5) 0.3569(3) 0.0362(14) Uani 1 1 d . . . . .
H13 H 0.323573 -0.260810 0.317281 0.043 Uiso 1 1 calc R U . . .
C80 C 0.44226(13) 0.1957(6) 0.3683(3) 0.0463(17) Uani 1 1 d . . . . .
H80A H 0.439129 0.258783 0.341783 0.069 Uiso 1 1 calc R U . . .
H80B H 0.426575 0.153247 0.361224 0.069 Uiso 1 1 calc R U . . .
H80C H 0.456199 0.155121 0.356675 0.069 Uiso 1 1 calc R U . . .
C4 C 0.40928(12) -0.1274(6) 0.4563(3) 0.0417(16) Uani 1 1 d . . . . .
H4 H 0.420091 -0.186857 0.457935 0.050 Uiso 1 1 calc R U . . .
C78 C 0.39269(13) -0.1154(6) 0.6147(3) 0.0512(19) Uani 1 1 d . . . . .
H78A H 0.392588 -0.133890 0.570149 0.077 Uiso 1 1 calc R U . . .
H78B H 0.375330 -0.094633 0.618314 0.077 Uiso 1 1 calc R U . . .
H78C H 0.398239 -0.175853 0.642361 0.077 Uiso 1 1 calc R U . . .
C10 C 0.34418(12) -0.4031(5) 0.4732(3) 0.0414(16) Uani 1 1 d . . . . .
H10 H 0.349617 -0.439351 0.512591 0.050 Uiso 1 1 calc R U . . .
C47 C 0.45443(14) 0.6436(6) 0.5692(3) 0.0492(18) Uani 1 1 d . . . . .
H47A H 0.452754 0.690993 0.532483 0.074 Uiso 1 1 calc R U . . .
H47B H 0.471997 0.615899 0.580135 0.074 Uiso 1 1 calc R U . . .
H47C H 0.450735 0.681739 0.605919 0.074 Uiso 1 1 calc R U . . .
C33 C 0.24433(17) 0.6264(7) 0.2656(3) 0.071(3) Uani 1 1 d . . . . .
H33A H 0.238671 0.619758 0.219048 0.106 Uiso 1 1 calc R U . . .
H33B H 0.253466 0.692830 0.275937 0.106 Uiso 1 1 calc R U . . .
H33C H 0.229307 0.624799 0.285315 0.106 Uiso 1 1 calc R U . . .
C81 C 0.2887(2) 0.7740(9) 0.1575(5) 0.087(3) Uani 1 1 d D . . . .
H81C H 0.278769 0.715207 0.170298 0.105 Uiso 0.5 1 calc R U P B 2
H81D H 0.306527 0.748902 0.161068 0.105 Uiso 0.5 1 calc R U P B 2
H81A H 0.277288 0.716376 0.165166 0.105 Uiso 0.5 1 calc R U P B 1
H81B H 0.306120 0.745615 0.159235 0.105 Uiso 0.5 1 calc R U P B 1
C54 C 0.500000 0.5799(6) 0.750000 0.0259(8) Uani 1 2 d S T P . .
C61 C 0.5433(4) 0.6358(15) 0.7679(9) 0.0259(8) Uani 0.5 1 d . . P A -1
C50 C 0.4228(2) 0.5232(10) 0.7273(6) 0.0252(11) Uani 0.5 1 d . . P A -1
H50 H 0.405024 0.506936 0.721624 0.030 Uiso 0.5 1 calc R U P A -1
C64 C 0.5876(2) 0.5238(10) 0.7816(6) 0.0259(8) Uani 0.5 1 d . . P A -1
H64 H 0.603433 0.486928 0.787218 0.031 Uiso 0.5 1 calc R U P A -1
N7 N 0.51658(17) 0.4930(7) 0.7544(4) 0.0259(8) Uani 0.5 1 d . . P A -1
C56 C 0.5025(2) 0.8209(9) 0.6965(5) 0.0260(11) Uani 0.5 1 d . . P A -1
H56 H 0.502553 0.778202 0.660157 0.031 Uiso 0.5 1 calc R U P A -1
N8 N 0.51755(17) 0.6667(7) 0.7610(4) 0.0259(8) Uani 0.5 1 d . . P A -1
C66 C 0.5421(2) 0.5250(9) 0.7641(5) 0.0259(8) Uani 0.5 1 d . . P A -1
C51 C 0.4309(2) 0.6296(10) 0.7306(5) 0.0252(11) Uani 0.5 1 d . . P A -1
H51 H 0.418872 0.685230 0.726416 0.030 Uiso 0.5 1 calc R U P A -1
C63 C 0.5881(2) 0.6325(8) 0.7844(5) 0.0259(8) Uani 0.5 1 d . . P A -1
H63 H 0.604141 0.667627 0.790553 0.031 Uiso 0.5 1 calc R U P A -1
C55 C 0.51000(19) 0.7775(8) 0.7564(5) 0.0260(11) Uani 0.5 1 d . . P A -1
C53 C 0.4748(2) 0.5684(9) 0.7451(5) 0.0252(11) Uani 0.5 1 d . . P A -1
C48 C 0.4666(2) 0.4624(9) 0.7414(5) 0.0252(11) Uani 0.5 1 d . . P A -1
C62 C 0.5659(2) 0.6903(9) 0.7785(5) 0.0259(8) Uani 0.5 1 d . . P A -1
H62 H 0.566321 0.764402 0.781608 0.031 Uiso 0.5 1 calc R U P A -1
C60 C 0.5109(2) 0.8330(9) 0.8119(5) 0.0260(11) Uani 0.5 1 d . . P A -1
H60 H 0.516170 0.803703 0.853469 0.031 Uiso 0.5 1 calc R U P A -1
C49 C 0.4405(2) 0.4444(10) 0.7324(7) 0.0252(11) Uani 0.5 1 d . . P A -1
H49 H 0.434572 0.374197 0.729578 0.030 Uiso 0.5 1 calc R U P A -1
Cl2 Cl 0.2763(2) 0.8351(7) 0.0820(4) 0.1132(10) Uani 0.5 1 d D . P B 1
C52 C 0.4572(4) 0.6490(15) 0.7400(8) 0.0252(11) Uani 0.5 1 d . . P A -1
H52 H 0.463173 0.719153 0.742967 0.030 Uiso 0.5 1 calc R U P A -1
C65 C 0.5649(3) 0.4681(11) 0.7708(7) 0.0259(8) Uani 0.5 1 d . . P A -1
H65 H 0.564830 0.393931 0.768074 0.031 Uiso 0.5 1 calc R U P A -1
C58 C 0.4963(2) 0.9848(7) 0.7419(7) 0.0260(11) Uani 0.5 1 d . . P A -1
H58 H 0.492538 1.057417 0.738357 0.031 Uiso 0.5 1 calc R U P A -1
C57 C 0.4948(3) 0.9249(13) 0.6868(8) 0.0260(11) Uani 0.5 1 d . . P A -1
H57 H 0.489008 0.953242 0.645107 0.031 Uiso 0.5 1 calc R U P A -1
C59 C 0.5029(3) 0.9398(13) 0.8005(8) 0.0260(11) Uani 0.5 1 d . . P A -1
H59 H 0.502279 0.982026 0.836655 0.031 Uiso 0.5 1 calc R U P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N5 2.019(4) . ?
Ru1 N3 2.051(4) . ?
Ru1 N1 2.074(5) . ?
Ru1 N6 2.017(4) . ?
Ru1 N4 2.127(4) . ?
Ru1 C1 2.075(6) . ?
Ru2 N9 1.923(5) . ?
Ru2 N10 1.989(8) . ?
Ru2 N7 2.082(9) . ?
Ru2 C48 2.070(12) . ?
P1 F2 1.582(4) . ?
P1 F6 1.594(4) . ?
P1 F5 1.589(4) . ?
P1 F1 1.568(5) . ?
P1 F4 1.601(5) . ?
P1 F3 1.572(5) . ?
P2 F9 1.598(4) 5_656 ?
P2 F9 1.598(4) . ?
P2 F7 1.570(5) 5_656 ?
P2 F7 1.571(5) . ?
P2 F8 1.579(5) . ?
P2 F8 1.579(5) 5_656 ?
Cl3 C81 1.736(13) . ?
Cl1 C81 1.729(10) . ?
O1 C30 1.203(6) . ?
O10 C79 1.333(7) . ?
O10 C80 1.444(7) . ?
O2 C30 1.327(6) . ?
O2 C31 1.454(6) . ?
O8 C44 1.331(7) . ?
O8 C45 1.449(6) . ?
O7 C44 1.193(7) . ?
N5 C39 1.369(6) . ?
N5 C43 1.355(7) . ?
N3 C24 1.378(7) . ?
N3 C20 1.341(7) . ?
O9 C79 1.205(7) . ?
N1 C7 1.367(7) . ?
N1 C19 1.377(7) . ?
N2 C7 1.382(7) . ?
N2 C8 1.448(7) . ?
N2 C14 1.369(7) . ?
N6 C38 1.362(7) . ?
N6 C34 1.353(7) . ?
O4 C32 1.341(7) . ?
O4 C33 1.439(8) . ?
O6 C46 1.321(7) . ?
O6 C47 1.437(7) . ?
O12 C77 1.323(7) . ?
O12 C78 1.451(8) . ?
N9 C71 1.365(7) . ?
N9 C67 1.348(7) . ?
N4 C25 1.364(6) . ?
N4 C29 1.346(7) . ?
C7 C6 1.424(8) . ?
N10 C72 1.371(8) . ?
N10 C76 1.353(8) . ?
O3 C32 1.181(7) . ?
C24 C23 1.384(7) . ?
C24 C25 1.471(7) . ?
O11 C77 1.198(7) . ?
O5 C46 1.192(7) . ?
C38 C39 1.476(7) . ?
C38 C37 1.383(7) . ?
C39 C40 1.382(7) . ?
C72 C73 1.386(8) . ?
C72 C71 1.472(8) . ?
C73 H73 0.9500 . ?
C73 C74 1.379(8) . ?
C37 H37 0.9500 . ?
C37 C36 1.382(7) . ?
C23 H23 0.9500 . ?
C23 C22 1.393(7) . ?
C71 C70 1.380(8) . ?
C25 C26 1.379(7) . ?
C44 C36 1.495(7) . ?
C22 C21 1.380(8) . ?
C22 C30 1.494(7) . ?
C36 C35 1.386(8) . ?
C21 H21 0.9500 . ?
C21 C20 1.388(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.363(8) . ?
C42 C41 1.395(7) . ?
C35 H35 0.9500 . ?
C35 C34 1.370(7) . ?
C74 C79 1.489(8) . ?
C74 C75 1.387(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.385(7) . ?
C6 C1 1.403(8) . ?
C6 C5 1.385(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(8) . ?
C18 C17 1.391(8) . ?
C69 C70 1.379(8) . ?
C69 C68 1.397(8) . ?
C69 C77 1.484(9) . ?
C1 C2 1.407(8) . ?
C27 C28 1.390(8) . ?
C27 C32 1.501(8) . ?
C29 H29 0.9500 . ?
C29 C28 1.378(8) . ?
C5 H5 0.9500 . ?
C5 C4 1.372(8) . ?
C28 H28 0.9500 . ?
C70 H70 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.375(9) . ?
C20 H20 0.9500 . ?
C68 H68 0.9500 . ?
C68 C67 1.372(8) . ?
C43 H43 0.9500 . ?
C75 H75 0.9500 . ?
C75 C76 1.380(8) . ?
C8 C9 1.378(8) . ?
C8 C13 1.379(8) . ?
C14 C19 1.439(8) . ?
C14 C15 1.363(8) . ?
C46 C41 1.495(8) . ?
C41 C40 1.389(7) . ?
C40 H40 0.9500 . ?
C17 H17 0.9500 . ?
C17 C16 1.398(9) . ?
C34 H34 0.9500 . ?
C76 H76 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.405(9) . ?
C16 H16 0.9500 . ?
C16 C15 1.355(9) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.428(10) . ?
C67 H67 0.9500 . ?
C15 H15 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.355(9) . ?
C11 C10 1.387(9) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C13 1.393(9) . ?
C13 H13 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C4 H4 0.9500 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C10 H10 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C81 H81C 0.9900 . ?
C81 H81D 0.9900 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 Cl2 1.787(13) . ?
C54 N7 1.409(11) . ?
C54 N8 1.438(10) . ?
C54 C53 1.332(11) . ?
C61 N8 1.40(2) . ?
C61 C66 1.42(2) . ?
C61 C62 1.37(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.426(17) . ?
C50 C49 1.368(17) . ?
C64 H64 0.9500 . ?
C64 C63 1.391(16) . ?
C64 C65 1.378(17) . ?
N7 C66 1.390(15) . ?
C56 H56 0.9500 . ?
C56 C55 1.373(15) . ?
C56 C57 1.39(2) . ?
N8 C55 1.472(14) . ?
C66 C65 1.399(18) . ?
C51 H51 0.9500 . ?
C51 C52 1.39(2) . ?
C63 H63 0.9500 . ?
C63 C62 1.374(16) . ?
C55 C60 1.374(16) . ?
C53 C48 1.419(16) . ?
C53 C52 1.38(2) . ?
C48 C49 1.382(17) . ?
C62 H62 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.436(18) . ?
C49 H49 0.9500 . ?
C52 H52 0.9500 . ?
C65 H65 0.9500 . ?
C58 H58 0.9500 . ?
C58 C57 1.393(19) . ?
C58 C59 1.354(19) . ?
C57 H57 0.9500 . ?
C59 H59 0.9500 . ?

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
N5 Ru1 N3 96.90(16) . . ?
N5 Ru1 N1 171.42(17) . . ?
N5 Ru1 N4 90.46(16) . . ?
N5 Ru1 C1 93.4(2) . . ?
N3 Ru1 N1 86.47(17) . . ?
N3 Ru1 N4 78.21(16) . . ?
N3 Ru1 C1 95.53(18) . . ?
N1 Ru1 N4 97.97(17) . . ?
N1 Ru1 C1 78.4(2) . . ?
N6 Ru1 N5 79.44(16) . . ?
N6 Ru1 N3 174.44(16) . . ?
N6 Ru1 N1 97.75(17) . . ?
N6 Ru1 N4 97.54(16) . . ?
N6 Ru1 C1 88.89(19) . . ?
C1 Ru1 N4 173.04(18) . . ?
N9 Ru2 N10 83.7(3) . . ?
N9 Ru2 N7 169.5(3) . . ?
N9 Ru2 C48 90.6(4) . . ?
N10 Ru2 N7 95.0(4) . . ?
N10 Ru2 C48 92.2(4) . . ?
C48 Ru2 N7 79.0(5) . . ?
F2 P1 F6 89.5(2) . . ?
F2 P1 F5 180.0(3) . . ?
F2 P1 F4 88.2(3) . . ?
F6 P1 F4 88.4(3) . . ?
F5 P1 F6 90.5(2) . . ?
F5 P1 F4 91.7(3) . . ?
F1 P1 F2 90.5(3) . . ?
F1 P1 F6 90.0(3) . . ?
F1 P1 F5 89.6(3) . . ?
F1 P1 F4 178.0(3) . . ?
F1 P1 F3 91.7(3) . . ?
F3 P1 F2 90.1(3) . . ?
F3 P1 F6 178.3(3) . . ?
F3 P1 F5 89.9(3) . . ?
F3 P1 F4 89.9(3) . . ?
F9 P2 F9 180.00(18) . 5_656 ?
F7 P2 F9 89.0(2) . . ?
F7 P2 F9 91.0(2) . 5_656 ?
F7 P2 F9 91.0(2) 5_656 . ?
F7 P2 F9 89.0(2) 5_656 5_656 ?
F7 P2 F7 180.0 5_656 . ?
F7 P2 F8 89.3(3) . 5_656 ?
F7 P2 F8 89.3(3) 5_656 . ?
F7 P2 F8 90.7(3) . . ?
F7 P2 F8 90.7(3) 5_656 5_656 ?
F8 P2 F9 90.5(2) 5_656 5_656 ?
F8 P2 F9 89.5(2) . 5_656 ?
F8 P2 F9 89.5(2) 5_656 . ?
F8 P2 F9 90.5(2) . . ?
F8 P2 F8 180.0 5_656 . ?
C79 O10 C80 116.3(5) . . ?
C30 O2 C31 115.8(4) . . ?
C44 O8 C45 116.0(4) . . ?
C39 N5 Ru1 116.3(3) . . ?
C43 N5 Ru1 125.6(3) . . ?
C43 N5 C39 118.1(4) . . ?
C24 N3 Ru1 116.6(3) . . ?
C20 N3 Ru1 125.4(4) . . ?
C20 N3 C24 118.0(4) . . ?
C7 N1 Ru1 114.2(3) . . ?
C7 N1 C19 107.4(5) . . ?
C19 N1 Ru1 137.8(4) . . ?
C7 N2 C8 124.0(5) . . ?
C14 N2 C7 109.9(4) . . ?
C14 N2 C8 125.8(5) . . ?
C38 N6 Ru1 116.5(3) . . ?
C34 N6 Ru1 125.6(4) . . ?
C34 N6 C38 117.8(4) . . ?
C32 O4 C33 115.6(5) . . ?
C46 O6 C47 116.0(5) . . ?
C77 O12 C78 117.4(5) . . ?
Ru2 N9 Ru2 8.22(12) . 2_656 ?
C71 N9 Ru2 116.1(4) . 2_656 ?
C71 N9 Ru2 114.9(4) . . ?
C67 N9 Ru2 127.4(4) . . ?
C67 N9 Ru2 125.8(4) . 2_656 ?
C67 N9 C71 117.6(5) . . ?
C25 N4 Ru1 114.8(3) . . ?
C29 N4 Ru1 126.9(3) . . ?
C29 N4 C25 118.2(4) . . ?
N1 C7 N2 108.9(4) . . ?
N1 C7 C6 118.1(4) . . ?
N2 C7 C6 133.1(5) . . ?
Ru2 N10 Ru2 11.58(19) . 2_656 ?
C72 N10 Ru2 120.0(4) . 2_656 ?
C72 N10 Ru2 111.9(4) . . ?
C76 N10 Ru2 130.0(4) . . ?
C76 N10 Ru2 121.6(4) . 2_656 ?
C76 N10 C72 118.0(5) . . ?
N3 C24 C23 121.4(5) . . ?
N3 C24 C25 115.3(4) . . ?
C23 C24 C25 123.4(5) . . ?
N6 C38 C39 113.9(4) . . ?
N6 C38 C37 122.2(5) . . ?
C37 C38 C39 123.8(5) . . ?
N5 C39 C38 113.7(4) . . ?
N5 C39 C40 121.4(5) . . ?
C40 C39 C38 124.9(5) . . ?
N10 C72 C73 121.4(5) . . ?
N10 C72 C71 115.1(5) . . ?
C73 C72 C71 123.4(5) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0(6) . . ?
C74 C73 H73 120.0 . . ?
C38 C37 H37 120.5 . . ?
C36 C37 C38 118.9(5) . . ?
C36 C37 H37 120.5 . . ?
C24 C23 H23 120.1 . . ?
C24 C23 C22 119.8(5) . . ?
C22 C23 H23 120.1 . . ?
N9 C71 C72 114.1(5) . . ?
N9 C71 C70 121.6(5) . . ?
C70 C71 C72 124.3(5) . . ?
N4 C25 C24 114.9(4) . . ?
N4 C25 C26 122.2(5) . . ?
C26 C25 C24 122.9(5) . . ?
O8 C44 C36 111.4(5) . . ?
O7 C44 O8 124.7(5) . . ?
O7 C44 C36 123.9(5) . . ?
C23 C22 C30 122.1(5) . . ?
C21 C22 C23 118.4(5) . . ?
C21 C22 C30 119.5(5) . . ?
C37 C36 C44 122.7(5) . . ?
C37 C36 C35 119.1(5) . . ?
C35 C36 C44 118.2(5) . . ?
C22 C21 H21 120.2 . . ?
C22 C21 C20 119.5(5) . . ?
C20 C21 H21 120.2 . . ?
C43 C42 H42 120.1 . . ?
C43 C42 C41 119.8(5) . . ?
C41 C42 H42 120.1 . . ?
C36 C35 H35 120.3 . . ?
C34 C35 C36 119.5(5) . . ?
C34 C35 H35 120.3 . . ?
C73 C74 C79 121.8(5) . . ?
C73 C74 C75 118.5(5) . . ?
C75 C74 C79 119.7(5) . . ?
O1 C30 O2 125.4(5) . . ?
O1 C30 C22 123.8(5) . . ?
O2 C30 C22 110.7(4) . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.7(5) . . ?
C27 C26 H26 120.6 . . ?
C1 C6 C7 113.3(5) . . ?
C5 C6 C7 125.8(5) . . ?
C5 C6 C1 120.9(5) . . ?
O10 C79 C74 111.2(5) . . ?
O9 C79 O10 125.1(5) . . ?
O9 C79 C74 123.7(5) . . ?
C19 C18 H18 121.8 . . ?
C17 C18 H18 121.8 . . ?
C17 C18 C19 116.5(5) . . ?
C70 C69 C68 118.0(5) . . ?
C70 C69 C77 122.6(5) . . ?
C68 C69 C77 119.3(5) . . ?
C6 C1 Ru1 115.4(4) . . ?
C6 C1 C2 116.6(5) . . ?
C2 C1 Ru1 127.9(4) . . ?
C26 C27 C28 119.5(5) . . ?
C26 C27 C32 122.2(5) . . ?
C28 C27 C32 118.3(5) . . ?
N4 C29 H29 118.7 . . ?
N4 C29 C28 122.5(5) . . ?
C28 C29 H29 118.7 . . ?
C6 C5 H5 119.1 . . ?
C4 C5 C6 121.7(6) . . ?
C4 C5 H5 119.1 . . ?
C27 C28 H28 120.6 . . ?
C29 C28 C27 118.8(5) . . ?
C29 C28 H28 120.6 . . ?
C71 C70 H70 119.8 . . ?
C69 C70 C71 120.4(5) . . ?
C69 C70 H70 119.8 . . ?
C1 C2 H2 118.3 . . ?
C3 C2 C1 123.4(6) . . ?
C3 C2 H2 118.3 . . ?
N3 C20 C21 122.7(5) . . ?
N3 C20 H20 118.6 . . ?
C21 C20 H20 118.6 . . ?
C69 C68 H68 120.5 . . ?
C67 C68 C69 119.1(5) . . ?
C67 C68 H68 120.5 . . ?
N5 C43 C42 122.6(5) . . ?
N5 C43 H43 118.7 . . ?
C42 C43 H43 118.7 . . ?
C74 C75 H75 120.1 . . ?
C76 C75 C74 119.7(6) . . ?
C76 C75 H75 120.1 . . ?
C9 C8 N2 119.1(5) . . ?
C9 C8 C13 121.4(6) . . ?
C13 C8 N2 119.5(5) . . ?
N2 C14 C19 104.9(4) . . ?
C15 C14 N2 134.1(5) . . ?
C15 C14 C19 121.0(5) . . ?
O6 C46 C41 111.9(5) . . ?
O5 C46 O6 124.6(6) . . ?
O5 C46 C41 123.5(5) . . ?
C42 C41 C46 118.8(5) . . ?
C40 C41 C42 118.1(5) . . ?
C40 C41 C46 123.1(5) . . ?
N1 C19 C18 131.1(6) . . ?
N1 C19 C14 108.9(5) . . ?
C18 C19 C14 120.0(5) . . ?
C39 C40 C41 119.9(5) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C18 C17 H17 118.7 . . ?
C18 C17 C16 122.6(6) . . ?
C16 C17 H17 118.7 . . ?
N6 C34 C35 122.5(5) . . ?
N6 C34 H34 118.8 . . ?
C35 C34 H34 118.8 . . ?
N10 C76 C75 122.2(6) . . ?
N10 C76 H76 118.9 . . ?
C75 C76 H76 118.9 . . ?
O12 C77 C69 111.4(5) . . ?
O11 C77 O12 124.3(6) . . ?
O11 C77 C69 124.3(6) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.7(6) . . ?
C15 C16 H16 119.7 . . ?
O4 C32 C27 110.9(5) . . ?
O3 C32 O4 124.8(6) . . ?
O3 C32 C27 124.2(5) . . ?
O8 C45 H45A 109.5 . . ?
O8 C45 H45B 109.5 . . ?
O8 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C2 C3 H3 120.9 . . ?
C2 C3 C4 118.3(6) . . ?
C4 C3 H3 120.9 . . ?
N9 C67 C68 123.3(5) . . ?
N9 C67 H67 118.4 . . ?
C68 C67 H67 118.4 . . ?
C14 C15 H15 120.4 . . ?
C16 C15 C14 119.3(6) . . ?
C16 C15 H15 120.4 . . ?
C12 C11 H11 119.1 . . ?
C12 C11 C10 121.8(6) . . ?
C10 C11 H11 119.1 . . ?
O2 C31 H31A 109.5 . . ?
O2 C31 H31B 109.5 . . ?
O2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.8(6) . . ?
C13 C12 H12 119.6 . . ?
C8 C13 C12 118.3(6) . . ?
C8 C13 H13 120.9 . . ?
C12 C13 H13 120.9 . . ?
O10 C80 H80A 109.5 . . ?
O10 C80 H80B 109.5 . . ?
O10 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C5 C4 C3 119.0(6) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
O12 C78 H78A 109.5 . . ?
O12 C78 H78B 109.5 . . ?
O12 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C9 C10 H10 121.1 . . ?
C11 C10 C9 117.8(6) . . ?
C11 C10 H10 121.1 . . ?
O6 C47 H47A 109.5 . . ?
O6 C47 H47B 109.5 . . ?
O6 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O4 C33 H33A 109.5 . . ?
O4 C33 H33B 109.5 . . ?
O4 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Cl3 C81 H81C 107.4 . . ?
Cl3 C81 H81D 107.4 . . ?
Cl1 C81 Cl3 119.6(7) . . ?
Cl1 C81 H81C 107.4 . . ?
Cl1 C81 H81D 107.4 . . ?
Cl1 C81 H81A 110.8 . . ?
Cl1 C81 H81B 110.8 . . ?
Cl1 C81 Cl2 104.9(6) . . ?
H81C C81 H81D 107.0 . . ?
H81A C81 H81B 108.9 . . ?
Cl2 C81 H81A 110.8 . . ?
Cl2 C81 H81B 110.8 . . ?
N7 C54 N8 102.9(5) . . ?
C53 C54 N7 121.6(8) . . ?
C53 C54 N8 135.0(8) . . ?
N8 C61 C66 104.2(15) . . ?
C62 C61 N8 132.8(16) . . ?
C62 C61 C66 123.0(17) . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C49 C50 C51 120.1(11) . . ?
C63 C64 H64 119.0 . . ?
C65 C64 H64 119.0 . . ?
C65 C64 C63 122.1(12) . . ?
C54 N7 Ru2 110.8(6) . . ?
C66 N7 Ru2 138.3(8) . . ?
C66 N7 C54 110.8(8) . . ?
C55 C56 H56 118.6 . . ?
C55 C56 C57 122.8(12) . . ?
C57 C56 H56 118.6 . . ?
C54 N8 C55 125.1(8) . . ?
C61 N8 C54 112.6(10) . . ?
C61 N8 C55 121.7(11) . . ?
N7 C66 C61 109.4(13) . . ?
N7 C66 C65 131.4(12) . . ?
C65 C66 C61 119.2(13) . . ?
C50 C51 H51 121.2 . . ?
C52 C51 C50 117.6(13) . . ?
C52 C51 H51 121.2 . . ?
C64 C63 H63 119.1 . . ?
C62 C63 C64 121.8(11) . . ?
C62 C63 H63 119.1 . . ?
C56 C55 N8 118.1(10) . . ?
C56 C55 C60 123.0(10) . . ?
C60 C55 N8 118.9(10) . . ?
C54 C53 C48 113.6(10) . . ?
C54 C53 C52 125.3(13) . . ?
C52 C53 C48 121.0(12) . . ?
C53 C48 Ru2 114.9(8) . . ?
C49 C48 Ru2 128.2(9) . . ?
C49 C48 C53 116.9(11) . . ?
C61 C62 C63 116.6(13) . . ?
C61 C62 H62 121.7 . . ?
C63 C62 H62 121.7 . . ?
C55 C60 H60 123.5 . . ?
C55 C60 C59 113.0(12) . . ?
C59 C60 H60 123.5 . . ?
C50 C49 C48 123.0(12) . . ?
C50 C49 H49 118.5 . . ?
C48 C49 H49 118.5 . . ?
C51 C52 H52 119.3 . . ?
C53 C52 C51 121.4(16) . . ?
C53 C52 H52 119.3 . . ?
C64 C65 C66 117.3(13) . . ?
C64 C65 H65 121.4 . . ?
C66 C65 H65 121.4 . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C59 C58 C57 120.3(9) . . ?
C56 C57 H57 122.0 . . ?
C58 C57 C56 116.0(14) . . ?
C58 C57 H57 122.0 . . ?
C60 C59 H59 117.6 . . ?
C58 C59 C60 124.8(16) . . ?
C58 C59 H59 117.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N5 C39 C38 3.1(5) . . . . ?
Ru1 N5 C39 C40 -177.1(4) . . . . ?
Ru1 N5 C43 C42 178.6(4) . . . . ?
Ru1 N3 C24 C23 -175.0(4) . . . . ?
Ru1 N3 C24 C25 3.6(5) . . . . ?
Ru1 N3 C20 C21 175.7(4) . . . . ?
Ru1 N1 C7 N2 -172.1(3) . . . . ?
Ru1 N1 C7 C6 7.1(6) . . . . ?
Ru1 N1 C19 C18 -12.9(9) . . . . ?
Ru1 N1 C19 C14 169.0(4) . . . . ?
Ru1 N6 C38 C39 2.3(5) . . . . ?
Ru1 N6 C38 C37 -177.9(4) . . . . ?
Ru1 N6 C34 C35 178.4(4) . . . . ?
Ru1 N4 C25 C24 5.6(5) . . . . ?
Ru1 N4 C25 C26 -173.5(4) . . . . ?
Ru1 N4 C29 C28 172.7(4) . . . . ?
Ru1 C1 C2 C3 -177.9(5) . . . . ?
Ru2 N9 C71 C72 -7.2(6) 2_656 . . . ?
Ru2 N9 C71 C72 1.8(6) . . . . ?
Ru2 N9 C71 C70 179.8(4) . . . . ?
Ru2 N9 C71 C70 170.8(4) 2_656 . . . ?
Ru2 N9 C67 C68 178.8(5) . . . . ?
Ru2 N9 C67 C68 -171.1(5) 2_656 . . . ?
Ru2 N10 C72 C73 176.9(4) . . . . ?
Ru2 N10 C72 C73 -173.9(4) 2_656 . . . ?
Ru2 N10 C72 C71 3.7(6) 2_656 . . . ?
Ru2 N10 C72 C71 -5.5(6) . . . . ?
Ru2 N10 C76 C75 -177.7(5) . . . . ?
Ru2 N10 C76 C75 172.5(5) 2_656 . . . ?
Ru2 N7 C66 C61 -176.0(11) . . . . ?
Ru2 N7 C66 C65 3(2) . . . . ?
Ru2 C48 C49 C50 -178.2(10) . . . . ?
O8 C44 C36 C37 -2.0(7) . . . . ?
O8 C44 C36 C35 179.7(5) . . . . ?
O7 C44 C36 C37 178.7(6) . . . . ?
O7 C44 C36 C35 0.4(8) . . . . ?
N5 C39 C40 C41 -2.6(8) . . . . ?
N3 C24 C23 C22 -0.9(7) . . . . ?
N3 C24 C25 N4 -6.1(6) . . . . ?
N3 C24 C25 C26 173.0(5) . . . . ?
N1 C7 C6 C1 -2.1(7) . . . . ?
N1 C7 C6 C5 176.5(5) . . . . ?
N2 C7 C6 C1 176.8(5) . . . . ?
N2 C7 C6 C5 -4.6(10) . . . . ?
N2 C8 C9 C10 -176.8(5) . . . . ?
N2 C8 C13 C12 176.9(5) . . . . ?
N2 C14 C19 N1 1.2(6) . . . . ?
N2 C14 C19 C18 -177.2(5) . . . . ?
N2 C14 C15 C16 177.2(6) . . . . ?
N6 C38 C39 N5 -3.5(6) . . . . ?
N6 C38 C39 C40 176.7(5) . . . . ?
N6 C38 C37 C36 0.4(8) . . . . ?
O6 C46 C41 C42 176.3(5) . . . . ?
O6 C46 C41 C40 -3.3(8) . . . . ?
N9 C71 C70 C69 1.5(8) . . . . ?
N4 C25 C26 C27 0.7(8) . . . . ?
N4 C29 C28 C27 -0.2(8) . . . . ?
C7 N1 C19 C18 177.0(5) . . . . ?
C7 N1 C19 C14 -1.2(6) . . . . ?
C7 N2 C8 C9 77.7(7) . . . . ?
C7 N2 C8 C13 -100.4(7) . . . . ?
C7 N2 C14 C19 -0.8(6) . . . . ?
C7 N2 C14 C15 -178.9(6) . . . . ?
C7 C6 C1 Ru1 -4.0(6) . . . . ?
C7 C6 C1 C2 176.2(5) . . . . ?
C7 C6 C5 C4 -177.2(6) . . . . ?
N10 C72 C73 C74 0.9(8) . . . . ?
N10 C72 C71 N9 2.6(7) . . . . ?
N10 C72 C71 C70 -175.3(5) . . . . ?
C24 N3 C20 C21 -2.5(8) . . . . ?
C24 C23 C22 C21 -2.6(7) . . . . ?
C24 C23 C22 C30 175.0(5) . . . . ?
C24 C25 C26 C27 -178.4(5) . . . . ?
O5 C46 C41 C42 -3.9(9) . . . . ?
O5 C46 C41 C40 176.5(6) . . . . ?
C38 N6 C34 C35 0.6(8) . . . . ?
C38 C39 C40 C41 177.2(5) . . . . ?
C38 C37 C36 C44 -179.7(5) . . . . ?
C38 C37 C36 C35 -1.4(7) . . . . ?
C39 N5 C43 C42 -1.5(8) . . . . ?
C39 C38 C37 C36 -179.9(5) . . . . ?
C72 N10 C76 C75 -0.6(9) . . . . ?
C72 C73 C74 C79 177.1(5) . . . . ?
C72 C73 C74 C75 0.2(8) . . . . ?
C72 C71 C70 C69 179.3(5) . . . . ?
C73 C72 C71 N9 -179.9(5) . . . . ?
C73 C72 C71 C70 2.2(9) . . . . ?
C73 C74 C79 O10 4.0(7) . . . . ?
C73 C74 C79 O9 -177.9(6) . . . . ?
C73 C74 C75 C76 -1.4(8) . . . . ?
C37 C38 C39 N5 176.8(5) . . . . ?
C37 C38 C39 C40 -3.0(8) . . . . ?
C37 C36 C35 C34 2.0(8) . . . . ?
C23 C24 C25 N4 172.5(5) . . . . ?
C23 C24 C25 C26 -8.4(8) . . . . ?
C23 C22 C21 C20 3.5(8) . . . . ?
C23 C22 C30 O1 165.9(5) . . . . ?
C23 C22 C30 O2 -16.7(7) . . . . ?
C71 N9 C67 C68 0.7(9) . . . . ?
C71 C72 C73 C74 -176.4(5) . . . . ?
C25 N4 C29 C28 -2.1(8) . . . . ?
C25 C24 C23 C22 -179.4(5) . . . . ?
C25 C26 C27 C28 -3.0(8) . . . . ?
C25 C26 C27 C32 175.1(5) . . . . ?
C44 C36 C35 C34 -179.6(5) . . . . ?
C22 C21 C20 N3 -1.0(8) . . . . ?
C36 C35 C34 N6 -1.6(8) . . . . ?
C21 C22 C30 O1 -16.6(8) . . . . ?
C21 C22 C30 O2 160.9(5) . . . . ?
C42 C41 C40 C39 0.6(8) . . . . ?
C74 C75 C76 N10 1.7(9) . . . . ?
C30 C22 C21 C20 -174.2(5) . . . . ?
C26 C27 C28 C29 2.8(8) . . . . ?
C26 C27 C32 O4 4.5(8) . . . . ?
C26 C27 C32 O3 -172.3(6) . . . . ?
C6 C1 C2 C3 1.9(8) . . . . ?
C6 C5 C4 C3 0.7(9) . . . . ?
C79 C74 C75 C76 -178.5(5) . . . . ?
C18 C17 C16 C15 2.3(10) . . . . ?
C69 C68 C67 N9 0.7(9) . . . . ?
C1 C6 C5 C4 1.2(9) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
C29 N4 C25 C24 -179.0(4) . . . . ?
C29 N4 C25 C26 1.9(7) . . . . ?
C5 C6 C1 Ru1 177.4(4) . . . . ?
C5 C6 C1 C2 -2.4(8) . . . . ?
C28 C27 C32 O4 -177.4(5) . . . . ?
C28 C27 C32 O3 5.8(9) . . . . ?
C70 C69 C68 C67 -1.0(9) . . . . ?
C70 C69 C77 O12 0.7(8) . . . . ?
C70 C69 C77 O11 -179.8(6) . . . . ?
C2 C3 C4 C5 -1.3(9) . . . . ?
C20 N3 C24 C23 3.4(7) . . . . ?
C20 N3 C24 C25 -178.0(4) . . . . ?
C68 C69 C70 C71 -0.1(8) . . . . ?
C68 C69 C77 O12 -176.4(5) . . . . ?
C68 C69 C77 O11 3.1(10) . . . . ?
C43 N5 C39 C38 -176.8(4) . . . . ?
C43 N5 C39 C40 3.0(7) . . . . ?
C43 C42 C41 C46 -178.8(5) . . . . ?
C43 C42 C41 C40 0.8(8) . . . . ?
C75 C74 C79 O10 -179.1(5) . . . . ?
C75 C74 C79 O9 -1.0(9) . . . . ?
C8 N2 C7 N1 -174.1(5) . . . . ?
C8 N2 C7 C6 6.9(9) . . . . ?
C8 N2 C14 C19 173.3(5) . . . . ?
C8 N2 C14 C15 -4.8(10) . . . . ?
C8 C9 C10 C11 -1.5(9) . . . . ?
C14 N2 C7 N1 0.1(6) . . . . ?
C14 N2 C7 C6 -178.9(5) . . . . ?
C14 N2 C8 C9 -95.6(7) . . . . ?
C14 N2 C8 C13 86.4(7) . . . . ?
C46 C41 C40 C39 -179.8(5) . . . . ?
C41 C42 C43 N5 -0.4(8) . . . . ?
C19 N1 C7 N2 0.7(6) . . . . ?
C19 N1 C7 C6 179.8(4) . . . . ?
C19 C18 C17 C16 -1.6(9) . . . . ?
C19 C14 C15 C16 -0.6(8) . . . . ?
C17 C18 C19 N1 -178.1(6) . . . . ?
C17 C18 C19 C14 -0.1(8) . . . . ?
C17 C16 C15 C14 -1.1(9) . . . . ?
C34 N6 C38 C39 -179.7(4) . . . . ?
C34 N6 C38 C37 0.1(7) . . . . ?
C76 N10 C72 C73 -0.7(8) . . . . ?
C76 N10 C72 C71 176.8(5) . . . . ?
C77 C69 C70 C71 -177.3(5) . . . . ?
C77 C69 C68 C67 176.3(6) . . . . ?
C9 C8 C13 C12 -1.2(9) . . . . ?
C32 C27 C28 C29 -175.4(5) . . . . ?
C45 O8 C44 O7 -2.1(9) . . . . ?
C45 O8 C44 C36 178.6(5) . . . . ?
C67 N9 C71 C72 -179.8(5) . . . . ?
C67 N9 C71 C70 -1.8(8) . . . . ?
C15 C14 C19 N1 179.6(5) . . . . ?
C15 C14 C19 C18 1.2(8) . . . . ?
C11 C12 C13 C8 1.5(9) . . . . ?
C31 O2 C30 O1 -0.4(9) . . . . ?
C31 O2 C30 C22 -177.8(5) . . . . ?
C12 C11 C10 C9 1.8(9) . . . . ?
C13 C8 C9 C10 1.2(9) . . . . ?
C80 O10 C79 O9 6.0(9) . . . . ?
C80 O10 C79 C74 -176.0(5) . . . . ?
C78 O12 C77 O11 0.1(10) . . . . ?
C78 O12 C77 C69 179.6(5) . . . . ?
C10 C11 C12 C13 -1.8(10) . . . . ?
C47 O6 C46 O5 1.0(10) . . . . ?
C47 O6 C46 C41 -179.2(5) . . . . ?
C33 O4 C32 O3 -4.1(10) . . . . ?
C33 O4 C32 C27 179.1(6) . . . . ?
C54 N7 C66 C61 1.3(13) . . . . ?
C54 N7 C66 C65 -179.4(12) . . . . ?
C54 N8 C55 C56 -77.3(13) . . . . ?
C54 N8 C55 C60 103.1(11) . . . . ?
C54 C53 C48 Ru2 2.0(12) . . . . ?
C54 C53 C48 C49 -176.2(10) . . . . ?
C54 C53 C52 C51 175.4(11) . . . . ?
C61 N8 C55 C56 93.5(15) . . . . ?
C61 N8 C55 C60 -86.2(15) . . . . ?
C61 C66 C65 C64 0.7(19) . . . . ?
C50 C51 C52 C53 1(2) . . . . ?
C64 C63 C62 C61 -1.8(18) . . . . ?
N7 C54 N8 C61 3.4(11) . . . . ?
N7 C54 N8 C55 174.9(9) . . . . ?
N7 C54 C53 C48 -3.2(12) . . . . ?
N7 C54 C53 C52 -179.4(11) . . . . ?
N7 C66 C65 C64 -178.5(12) . . . . ?
C56 C55 C60 C59 0.6(16) . . . . ?
N8 C54 N7 Ru2 175.3(5) . . . . ?
N8 C54 N7 C66 -2.8(9) . . . . ?
N8 C54 C53 C48 -172.9(7) . . . . ?
N8 C54 C53 C52 10.9(17) . . . . ?
N8 C61 C66 N7 0.8(16) . . . . ?
N8 C61 C66 C65 -178.5(11) . . . . ?
N8 C61 C62 C63 178.3(16) . . . . ?
N8 C55 C60 C59 -179.8(11) . . . . ?
C66 C61 N8 C54 -2.7(15) . . . . ?
C66 C61 N8 C55 -174.5(10) . . . . ?
C66 C61 C62 C63 1(2) . . . . ?
C51 C50 C49 C48 0.7(19) . . . . ?
C63 C64 C65 C66 -1.4(19) . . . . ?
C55 C56 C57 C58 3(2) . . . . ?
C55 C60 C59 C58 -3(2) . . . . ?
C53 C54 N7 Ru2 2.8(9) . . . . ?
C53 C54 N7 C66 -175.3(8) . . . . ?
C53 C54 N8 C61 174.4(11) . . . . ?
C53 C54 N8 C55 -14.1(14) . . . . ?
C53 C48 C49 C50 -0.3(19) . . . . ?
C48 C53 C52 C51 0(2) . . . . ?
C62 C61 N8 C54 179.8(16) . . . . ?
C62 C61 N8 C55 8(3) . . . . ?
C62 C61 C66 N7 178.7(14) . . . . ?
C62 C61 C66 C65 -1(2) . . . . ?
C49 C50 C51 C52 -1.0(18) . . . . ?
C52 C53 C48 Ru2 178.4(11) . . . . ?
C52 C53 C48 C49 0.1(18) . . . . ?
C65 C64 C63 C62 2.0(19) . . . . ?
C57 C56 C55 N8 179.6(12) . . . . ?
C57 C56 C55 C60 -0.7(18) . . . . ?
C57 C58 C59 C60 5(3) . . . . ?
C59 C58 C57 C56 -5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, heptane'
