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

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

data_proffuruta
_database_code_depnum_ccdc_archive 'CCDC 2076068'
loop_
_audit_author_name
_audit_author_address
'Shigeki Mori'
;Advanced Research Support Center, Ehime University
Japan
;
_audit_update_record             
;
2021-04-08 deposited with the CCDC.	2021-07-05 downloaded from the CCDC.
;
_audit_creation_date             2021-01-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Ru2-2
_chemical_formula_moiety         'C88 H54 N8 O3 Ru2, 5(C1 H1 Cl3)'
_chemical_formula_sum            'C93 H59 Cl15 N8 O3 Ru2'
_chemical_formula_weight         2070.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         C88H54N8O3Ru2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   13.0804(4)
_cell_length_b                   18.3767(5)
_cell_length_c                   18.7600(5)
_cell_angle_alpha                78.745(2)
_cell_angle_beta                 79.896(2)
_cell_angle_gamma                82.809(2)
_cell_volume                     4334.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    33302
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.1210
_cell_measurement_theta_min      1.7750
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.888
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0907
_diffrn_reflns_av_unetI/netI     0.0949
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            73409
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_min         1.730
_diffrn_ambient_temperature      100
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 7.111
_diffrn_detector_type            'Rigaku Saturn724+ area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00   0.00  360
  2  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00  90.00  360
  3  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00 180.00  360
  4  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00 270.00  360
;
_diffrn_measurement_device       .
_diffrn_measurement_device_type  'Rigaku Varimax with Saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0169651000
_diffrn_orient_matrix_UB_12      0.0259628000
_diffrn_orient_matrix_UB_13      -0.0318793000
_diffrn_orient_matrix_UB_21      -0.0096705000
_diffrn_orient_matrix_UB_22      -0.0244479000
_diffrn_orient_matrix_UB_23      -0.0225052000
_diffrn_orient_matrix_UB_31      -0.0517657000
_diffrn_orient_matrix_UB_32      0.0170552000
_diffrn_orient_matrix_UB_33      0.0002288000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'MicroMax 007'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14063
_reflns_number_total             20908
_reflns_odcompleteness_completeness 90.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.25
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_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, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.920
_refine_diff_density_min         -1.958
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1127
_refine_ls_number_reflns         20908
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.1172
_refine_ls_R_factor_gt           0.0750
_refine_ls_restrained_S_all      1.087
_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)+(0.0843P)²+8.4864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1764
_refine_ls_wR_factor_ref         0.1949
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 Cl4-C90 = Cl5-C90 = Cl6-C90
 1.78 with sigma of 0.02
 Cl34-C390 = Cl35-C390 = Cl36-C390
 1.78 with sigma of 0.02
 Cl4-Cl5 = Cl5-Cl6 = Cl6-Cl4
 2.85 with sigma of 0.04
 Cl34-Cl35 = Cl35-Cl36 = Cl36-Cl34
 2.85 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Cl4 \\sim Cl5 \\sim Cl6 \\sim C90: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04 within 2A
Cl34 \\sim Cl35 \\sim Cl36 \\sim C390: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
Uanis(Cl4) \\sim Ueq, Uanis(Cl5) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C90)
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(Cl34) \\sim Ueq, Uanis(Cl35) \\sim Ueq, Uanis(Cl36) \\sim Ueq,
Uanis(C390) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
4. Rigid body (RIGU) restrains
 Cl4, Cl5, Cl6, C90
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl34, Cl35, Cl36, C390
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(Cl34)=Sof(Cl35)=Sof(Cl36)=Sof(C390)=Sof(H390)=1-FVAR(1)
 Sof(Cl4)=Sof(Cl5)=Sof(Cl6)=Sof(C90)=Sof(H90)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C90(H90), C390(H390), C92(H92), C93(H93), C89(H89), C91(H91)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C19(H19), C22(H22),
 C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31),
  C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C40(H40),
 C41(H41), C42(H42), C43(H43), C44(H44), C46(H46), C47(H47), C51(H51), C52(H52),
  C56(H56), C57(H57), C61(H61), C66(H66), C67(H67), C68(H68), C69(H69),
 C70(H70), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C78(H78), C79(H79),
  C80(H80), C81(H81), C82(H82), C84(H84), C85(H85), C86(H86), C87(H87), C88(H88)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.89120(3) 0.76366(2) 0.24407(2) 0.01510(10) Uani 1 1 d . . . . .
Ru2 Ru 0.61772(3) 0.74619(2) 0.25670(2) 0.01781(11) Uani 1 1 d . . . . .
O1 O 1.0158(3) 0.79025(19) 0.28049(19) 0.0239(8) Uani 1 1 d . . . . .
O2 O 0.5016(3) 0.6915(2) 0.2449(2) 0.0312(9) Uani 1 1 d . . . . .
O3 O 0.7543(2) 0.75825(17) 0.24846(17) 0.0188(7) Uani 1 1 d . . . . .
N1 N 0.8946(3) 0.8672(2) 0.1754(2) 0.0192(9) Uani 1 1 d . . . . .
N2 N 0.9346(3) 0.7130(2) 0.1519(2) 0.0194(9) Uani 1 1 d . . . . .
N3 N 0.9185(3) 0.6610(2) 0.3107(2) 0.0174(8) Uani 1 1 d . . . . .
N4 N 0.8386(4) 0.8308(2) 0.4412(2) 0.0273(10) Uani 1 1 d . . . . .
N5 N 0.6060(3) 0.6800(2) 0.3608(2) 0.0209(9) Uani 1 1 d . . . . .
N6 N 0.5670(4) 0.8391(2) 0.3052(2) 0.0249(10) Uani 1 1 d . . . . .
N7 N 0.5959(3) 0.8102(2) 0.1557(2) 0.0211(9) Uani 1 1 d . . . . .
N8 N 0.6869(4) 0.5416(3) 0.1963(3) 0.0321(11) Uani 1 1 d . . . . .
C1 C 0.9038(4) 0.9354(3) 0.1927(3) 0.0200(10) Uani 1 1 d . . . . .
C2 C 0.9163(4) 0.9904(3) 0.1269(3) 0.0222(11) Uani 1 1 d . . . . .
H2 H 0.924994 1.041517 0.123585 0.027 Uiso 1 1 calc R U . . .
C3 C 0.9133(4) 0.9554(3) 0.0704(3) 0.0194(10) Uani 1 1 d . . . . .
H3 H 0.918613 0.977776 0.019966 0.023 Uiso 1 1 calc R U . . .
C4 C 0.9007(4) 0.8783(3) 0.1002(3) 0.0193(10) Uani 1 1 d . . . . .
C5 C 0.9007(4) 0.8241(3) 0.0573(3) 0.0185(10) Uani 1 1 d . . . . .
C6 C 0.9140(4) 0.7475(3) 0.0826(3) 0.0203(10) Uani 1 1 d . . . . .
C7 C 0.9075(4) 0.6909(3) 0.0407(3) 0.0207(10) Uani 1 1 d . . . . .
H7 H 0.893066 0.698924 -0.008299 0.025 Uiso 1 1 calc R U . . .
C8 C 0.9258(4) 0.6239(3) 0.0843(3) 0.0207(10) Uani 1 1 d . . . . .
H8 H 0.928043 0.576458 0.070830 0.025 Uiso 1 1 calc R U . . .
C9 C 0.9411(4) 0.6374(3) 0.1543(3) 0.0198(10) Uani 1 1 d . . . . .
C10 C 0.9559(4) 0.5816(3) 0.2148(3) 0.0198(10) Uani 1 1 d . . . . .
C11 C 0.9476(4) 0.5937(3) 0.2873(3) 0.0171(10) Uani 1 1 d . . . . .
C12 C 0.9728(4) 0.5375(3) 0.3486(3) 0.0250(11) Uani 1 1 d . . . . .
H12 H 0.995496 0.486492 0.347510 0.030 Uiso 1 1 calc R U . . .
C13 C 0.9580(4) 0.5710(3) 0.4075(3) 0.0259(11) Uani 1 1 d . . . . .
H13 H 0.967202 0.547373 0.456036 0.031 Uiso 1 1 calc R U . . .
C14 C 0.9259(4) 0.6483(3) 0.3849(3) 0.0205(10) Uani 1 1 d . . . . .
C15 C 0.9041(4) 0.7019(3) 0.4306(3) 0.0238(11) Uani 1 1 d . . . . .
C16 C 0.8946(4) 0.7779(3) 0.4009(3) 0.0256(11) Uani 1 1 d . . . . .
C17 C 0.9306(4) 0.8148(3) 0.3266(3) 0.0252(11) Uani 1 1 d . . . . .
C18 C 0.8919(4) 0.8925(3) 0.3252(3) 0.0241(11) Uani 1 1 d . . . . .
C19 C 0.8384(4) 0.8961(3) 0.3971(3) 0.0239(11) Uani 1 1 d . . . . .
H19 H 0.805640 0.940975 0.412034 0.029 Uiso 1 1 calc R U . . .
C20 C 0.8922(4) 0.9501(3) 0.2646(3) 0.0236(11) Uani 1 1 d . . . . .
C21 C 0.8891(4) 0.8513(3) -0.0217(3) 0.0215(11) Uani 1 1 d . . . . .
C22 C 0.9609(4) 0.8269(3) -0.0780(3) 0.0254(11) Uani 1 1 d . . . . .
H22 H 1.018443 0.792154 -0.066547 0.030 Uiso 1 1 calc R U . . .
C23 C 0.9487(5) 0.8534(3) -0.1513(3) 0.0330(14) Uani 1 1 d . . . . .
H23 H 0.996983 0.835765 -0.189699 0.040 Uiso 1 1 calc R U . . .
C24 C 0.8666(5) 0.9052(4) -0.1680(3) 0.0386(15) Uani 1 1 d . . . . .
H24 H 0.859721 0.924156 -0.217982 0.046 Uiso 1 1 calc R U . . .
C25 C 0.7949(5) 0.9295(3) -0.1129(3) 0.0377(14) Uani 1 1 d . . . . .
H25 H 0.737608 0.964287 -0.124654 0.045 Uiso 1 1 calc R U . . .
C26 C 0.8062(4) 0.9029(3) -0.0397(3) 0.0274(12) Uani 1 1 d . . . . .
H26 H 0.756859 0.920245 -0.001654 0.033 Uiso 1 1 calc R U . . .
C27 C 0.9831(4) 0.5039(3) 0.2001(3) 0.0223(11) Uani 1 1 d . . . . .
C28 C 1.0695(4) 0.4897(3) 0.1483(3) 0.0268(12) Uani 1 1 d . . . . .
H28 H 1.111921 0.528536 0.124912 0.032 Uiso 1 1 calc R U . . .
C29 C 1.0941(5) 0.4192(3) 0.1304(3) 0.0302(12) Uani 1 1 d . . . . .
H29 H 1.152852 0.410032 0.094424 0.036 Uiso 1 1 calc R U . . .
C30 C 1.0330(5) 0.3619(3) 0.1650(3) 0.0334(13) Uani 1 1 d . . . . .
H30 H 1.050003 0.313503 0.152925 0.040 Uiso 1 1 calc R U . . .
C31 C 0.9487(5) 0.3753(3) 0.2162(3) 0.0335(13) Uani 1 1 d . . . . .
H31 H 0.907594 0.335820 0.240056 0.040 Uiso 1 1 calc R U . . .
C32 C 0.9216(5) 0.4461(3) 0.2341(3) 0.0293(12) Uani 1 1 d . . . . .
H32 H 0.861767 0.454993 0.269171 0.035 Uiso 1 1 calc R U . . .
C33 C 0.8867(4) 0.6793(3) 0.5120(3) 0.0252(11) Uani 1 1 d . . . . .
C34 C 0.9363(5) 0.7143(3) 0.5544(3) 0.0361(14) Uani 1 1 d . . . . .
H34 H 0.980702 0.751953 0.531032 0.043 Uiso 1 1 calc R U . . .
C35 C 0.9210(5) 0.6942(3) 0.6308(3) 0.0390(15) Uani 1 1 d . . . . .
H35 H 0.955987 0.717595 0.659157 0.047 Uiso 1 1 calc R U . . .
C36 C 0.8554(5) 0.6406(3) 0.6652(3) 0.0379(15) Uani 1 1 d . . . . .
H36 H 0.844527 0.627473 0.717326 0.045 Uiso 1 1 calc R U . . .
C37 C 0.8057(5) 0.6062(3) 0.6242(3) 0.0359(14) Uani 1 1 d . . . . .
H37 H 0.760012 0.569420 0.648091 0.043 Uiso 1 1 calc R U . . .
C38 C 0.8219(4) 0.6249(3) 0.5478(3) 0.0285(12) Uani 1 1 d . . . . .
H38 H 0.788230 0.600001 0.519910 0.034 Uiso 1 1 calc R U . . .
C39 C 0.8726(4) 1.0283(3) 0.2779(3) 0.0270(12) Uani 1 1 d . . . . .
C40 C 0.9238(5) 1.0514(3) 0.3270(3) 0.0314(13) Uani 1 1 d . . . . .
H40 H 0.971615 1.017043 0.352175 0.038 Uiso 1 1 calc R U . . .
C41 C 0.9062(5) 1.1237(3) 0.3398(3) 0.0375(15) Uani 1 1 d . . . . .
H41 H 0.942527 1.138905 0.373200 0.045 Uiso 1 1 calc R U . . .
C42 C 0.8354(5) 1.1744(3) 0.3040(3) 0.0410(16) Uani 1 1 d . . . . .
H42 H 0.823081 1.224088 0.312927 0.049 Uiso 1 1 calc R U . . .
C43 C 0.7832(5) 1.1521(3) 0.2555(3) 0.0378(15) Uani 1 1 d . . . . .
H43 H 0.735169 1.186631 0.230669 0.045 Uiso 1 1 calc R U . . .
C44 C 0.8004(5) 1.0795(3) 0.2428(3) 0.0324(13) Uani 1 1 d . . . . .
H44 H 0.763010 1.064279 0.210052 0.039 Uiso 1 1 calc R U . . .
C45 C 0.6083(4) 0.6037(3) 0.3769(3) 0.0245(11) Uani 1 1 d . . . . .
C46 C 0.5793(4) 0.5807(3) 0.4548(3) 0.0259(12) Uani 1 1 d . . . . .
H46 H 0.575841 0.530742 0.480202 0.031 Uiso 1 1 calc R U . . .
C47 C 0.5578(4) 0.6423(3) 0.4853(3) 0.0262(11) Uani 1 1 d . . . . .
H47 H 0.535637 0.644099 0.535989 0.031 Uiso 1 1 calc R U . . .
C48 C 0.5748(4) 0.7051(3) 0.4264(3) 0.0247(11) Uani 1 1 d . . . . .
C49 C 0.5616(4) 0.7796(3) 0.4359(3) 0.0245(11) Uani 1 1 d . . . . .
C50 C 0.5681(4) 0.8408(3) 0.3781(3) 0.0256(11) Uani 1 1 d . . . . .
C51 C 0.5760(4) 0.9159(3) 0.3858(3) 0.0262(11) Uani 1 1 d . . . . .
H51 H 0.577322 0.932631 0.430385 0.031 Uiso 1 1 calc R U . . .
C52 C 0.5812(4) 0.9584(3) 0.3183(3) 0.0254(11) Uani 1 1 d . . . . .
H52 H 0.588429 1.010395 0.306387 0.030 Uiso 1 1 calc R U . . .
C53 C 0.5738(4) 0.9112(3) 0.2681(3) 0.0237(11) Uani 1 1 d . . . . .
C54 C 0.5705(4) 0.9346(3) 0.1922(3) 0.0248(11) Uani 1 1 d . . . . .
C55 C 0.5723(4) 0.8866(3) 0.1424(3) 0.0253(11) Uani 1 1 d . . . . .
C56 C 0.5461(4) 0.9106(3) 0.0701(3) 0.0313(13) Uani 1 1 d . . . . .
H56 H 0.526308 0.960310 0.048022 0.038 Uiso 1 1 calc R U . . .
C57 C 0.5548(4) 0.8490(3) 0.0391(3) 0.0330(13) Uani 1 1 d . . . . .
H57 H 0.542276 0.847573 -0.008997 0.040 Uiso 1 1 calc R U . . .
C58 C 0.5861(4) 0.7867(3) 0.0914(3) 0.0240(11) Uani 1 1 d . . . . .
C59 C 0.6079(4) 0.7119(3) 0.0803(3) 0.0262(12) Uani 1 1 d . . . . .
C60 C 0.6217(4) 0.6532(3) 0.1367(3) 0.0271(12) Uani 1 1 d . . . . .
C61 C 0.6784(4) 0.5837(3) 0.1314(3) 0.0253(11) Uani 1 1 d . . . . .
H61 H 0.707496 0.568492 0.085996 0.030 Uiso 1 1 calc R U . . .
C62 C 0.5897(4) 0.6520(3) 0.2157(3) 0.0244(11) Uani 1 1 d . . . . .
C63 C 0.6354(4) 0.5802(3) 0.2510(3) 0.0267(12) Uani 1 1 d . . . . .
C64 C 0.6352(4) 0.5546(3) 0.3258(3) 0.0256(11) Uani 1 1 d . . . . .
C65 C 0.5354(4) 0.7960(3) 0.5119(3) 0.0264(12) Uani 1 1 d . . . . .
C66 C 0.5972(5) 0.7675(3) 0.5652(3) 0.0299(12) Uani 1 1 d . . . . .
H66 H 0.659771 0.736931 0.553620 0.036 Uiso 1 1 calc R U . . .
C67 C 0.5680(5) 0.7837(3) 0.6364(3) 0.0322(13) Uani 1 1 d . . . . .
H67 H 0.609472 0.762572 0.673512 0.039 Uiso 1 1 calc R U . . .
C68 C 0.4789(5) 0.8303(3) 0.6528(3) 0.0353(14) Uani 1 1 d . . . . .
H68 H 0.459515 0.841589 0.700912 0.042 Uiso 1 1 calc R U . . .
C69 C 0.4181(5) 0.8602(3) 0.5992(3) 0.0351(14) Uani 1 1 d . . . . .
H69 H 0.357625 0.892941 0.610239 0.042 Uiso 1 1 calc R U . . .
C70 C 0.4447(4) 0.8429(3) 0.5292(3) 0.0266(12) Uani 1 1 d . . . . .
H70 H 0.401536 0.862751 0.492884 0.032 Uiso 1 1 calc R U . . .
C71 C 0.5626(4) 1.0162(3) 0.1649(3) 0.0258(11) Uani 1 1 d . . . . .
C72 C 0.6393(5) 1.0481(3) 0.1097(3) 0.0321(13) Uani 1 1 d . . . . .
H72 H 0.693957 1.017201 0.086900 0.038 Uiso 1 1 calc R U . . .
C73 C 0.6350(5) 1.1245(4) 0.0887(3) 0.0417(16) Uani 1 1 d . . . . .
H73 H 0.687943 1.145878 0.051998 0.050 Uiso 1 1 calc R U . . .
C74 C 0.5553(6) 1.1706(3) 0.1200(3) 0.0434(17) Uani 1 1 d . . . . .
H74 H 0.553500 1.223122 0.105147 0.052 Uiso 1 1 calc R U . . .
C75 C 0.4785(5) 1.1397(3) 0.1729(3) 0.0395(15) Uani 1 1 d . . . . .
H75 H 0.422798 1.170886 0.194307 0.047 Uiso 1 1 calc R U . . .
C76 C 0.4823(5) 1.0635(3) 0.1949(3) 0.0304(12) Uani 1 1 d . . . . .
H76 H 0.428686 1.042748 0.231389 0.037 Uiso 1 1 calc R U . . .
C77 C 0.6239(4) 0.6967(3) 0.0036(3) 0.0318(13) Uani 1 1 d . . . . .
C78 C 0.6868(5) 0.7374(3) -0.0546(3) 0.0336(13) Uani 1 1 d . . . . .
H78 H 0.719059 0.777858 -0.046251 0.040 Uiso 1 1 calc R U . . .
C79 C 0.7027(5) 0.7197(4) -0.1245(3) 0.0412(15) Uani 1 1 d . . . . .
H79 H 0.746959 0.747456 -0.163059 0.049 Uiso 1 1 calc R U . . .
C80 C 0.6555(6) 0.6626(4) -0.1390(4) 0.0476(18) Uani 1 1 d . . . . .
H80 H 0.666160 0.650943 -0.187100 0.057 Uiso 1 1 calc R U . . .
C81 C 0.5924(6) 0.6226(5) -0.0822(4) 0.059(2) Uani 1 1 d . . . . .
H81 H 0.558979 0.583158 -0.091485 0.070 Uiso 1 1 calc R U . . .
C82 C 0.5764(5) 0.6387(4) -0.0115(4) 0.0450(16) Uani 1 1 d . . . . .
H82 H 0.532870 0.609965 0.026819 0.054 Uiso 1 1 calc R U . . .
C83 C 0.6643(4) 0.4741(3) 0.3541(3) 0.0281(12) Uani 1 1 d . . . . .
C84 C 0.7305(4) 0.4534(3) 0.4063(3) 0.0329(13) Uani 1 1 d . . . . .
H84 H 0.758500 0.490753 0.423524 0.039 Uiso 1 1 calc R U . . .
C85 C 0.7565(5) 0.3790(3) 0.4336(3) 0.0415(15) Uani 1 1 d . . . . .
H85 H 0.802463 0.365603 0.469021 0.050 Uiso 1 1 calc R U . . .
C86 C 0.7153(6) 0.3244(3) 0.4093(4) 0.0457(17) Uani 1 1 d . . . . .
H86 H 0.731823 0.273330 0.428762 0.055 Uiso 1 1 calc R U . . .
C87 C 0.6503(5) 0.3438(3) 0.3569(4) 0.0412(16) Uani 1 1 d . . . . .
H87 H 0.623284 0.306027 0.339605 0.049 Uiso 1 1 calc R U . . .
C88 C 0.6236(5) 0.4191(3) 0.3289(3) 0.0365(14) Uani 1 1 d . . . . .
H88 H 0.578177 0.432342 0.293159 0.044 Uiso 1 1 calc R U . . .
Cl4 Cl 0.8522(4) 0.4357(2) 0.0391(2) 0.0454(12) Uani 0.499(6) 1 d D U P A 1
Cl5 Cl 0.6350(5) 0.4206(5) 0.0760(7) 0.166(5) Uani 0.499(6) 1 d D U P A 1
Cl6 Cl 0.7847(5) 0.3042(2) 0.1290(3) 0.086(2) Uani 0.499(6) 1 d D U P A 1
C90 C 0.7527(10) 0.3989(8) 0.1069(10) 0.056(4) Uani 0.499(6) 1 d D U P A 1
H90 H 0.749855 0.421578 0.151584 0.067 Uiso 0.499(6) 1 calc R U P A 1
Cl34 Cl 0.8618(6) 0.3910(9) 0.0419(5) 0.178(5) Uani 0.501(6) 1 d D U P A 2
Cl35 Cl 0.6688(6) 0.4483(4) 0.0113(5) 0.142(4) Uani 0.501(6) 1 d D U P A 2
Cl36 Cl 0.6772(7) 0.3426(5) 0.1389(4) 0.141(4) Uani 0.501(6) 1 d D U P A 2
C390 C 0.7363(12) 0.4159(11) 0.0815(10) 0.106(8) Uani 0.501(6) 1 d D U P A 2
H390 H 0.737064 0.456596 0.109703 0.127 Uiso 0.501(6) 1 calc R U P A 2
Cl10 Cl 0.3151(2) 0.7692(2) 0.37260(18) 0.1102(11) Uani 1 1 d . . . . .
Cl11 Cl 0.1261(2) 0.85219(17) 0.42538(15) 0.0937(8) Uani 1 1 d . . . . .
Cl12 Cl 0.2510(5) 0.91169(18) 0.29440(19) 0.182(2) Uani 1 1 d . . . . .
C92 C 0.2084(6) 0.8305(4) 0.3463(4) 0.0540(19) Uani 1 1 d . . . . .
H92 H 0.169051 0.806572 0.317315 0.065 Uiso 1 1 calc R U . . .
Cl13 Cl 0.34321(17) 0.55234(13) 0.37861(12) 0.0719(6) Uani 1 1 d . . . . .
Cl14 Cl 0.3678(3) 0.53785(16) 0.22618(14) 0.1097(11) Uani 1 1 d . . . . .
Cl15 Cl 0.19106(18) 0.6307(2) 0.29014(19) 0.1374(16) Uani 1 1 d . . . . .
C93 C 0.3231(6) 0.5982(5) 0.2896(5) 0.065(2) Uani 1 1 d . . . . .
H93 H 0.364965 0.642187 0.275512 0.078 Uiso 1 1 calc R U . . .
Cl1 Cl 0.77494(17) 0.87261(12) 0.67472(10) 0.0609(5) Uani 1 1 d . . . . .
Cl2 Cl 0.89421(17) 0.95097(14) 0.54552(11) 0.0702(6) Uani 1 1 d . . . . .
Cl3 Cl 0.66805(16) 0.96913(11) 0.56420(11) 0.0605(5) Uani 1 1 d . . . . .
C89 C 0.7811(6) 0.9070(4) 0.5816(4) 0.057(2) Uani 1 1 d . . . . .
H89 H 0.782130 0.864007 0.555948 0.068 Uiso 1 1 calc R U . . .
Cl7 Cl 1.32237(13) 0.77049(12) 0.15957(11) 0.0600(5) Uani 1 1 d . . . . .
Cl8 Cl 1.17220(17) 0.88322(12) 0.09737(13) 0.0715(6) Uani 1 1 d . . . . .
Cl9 Cl 1.19112(16) 0.73453(14) 0.06497(12) 0.0691(6) Uani 1 1 d . . . . .
C91 C 1.1990(5) 0.7881(4) 0.1313(4) 0.0498(18) Uani 1 1 d . . . . .
H91 H 1.145318 0.773386 0.175086 0.060 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 O1 2.021(3) . ?
Ru1 O3 1.792(3) . ?
Ru1 N1 2.080(4) . ?
Ru1 N2 2.082(4) . ?
Ru1 N3 2.078(4) . ?
Ru1 C17 2.124(5) . ?
Ru2 O2 1.988(4) . ?
Ru2 O3 1.804(3) . ?
Ru2 N5 2.081(4) . ?
Ru2 N6 2.072(4) . ?
Ru2 N7 2.071(4) . ?
Ru2 C62 2.121(5) . ?
O1 C17 1.372(6) . ?
O2 C62 1.371(6) . ?
N1 C1 1.380(6) . ?
N1 C4 1.375(6) . ?
N2 C6 1.386(6) . ?
N2 C9 1.374(6) . ?
N3 C11 1.380(6) . ?
N3 C14 1.386(6) . ?
N4 C16 1.402(7) . ?
N4 C19 1.318(6) . ?
N5 C45 1.372(6) . ?
N5 C48 1.376(6) . ?
N6 C50 1.377(6) . ?
N6 C53 1.376(6) . ?
N7 C55 1.382(7) . ?
N7 C58 1.391(6) . ?
N8 C61 1.322(7) . ?
N8 C63 1.389(7) . ?
C1 C2 1.434(6) . ?
C1 C20 1.405(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.350(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.436(6) . ?
C4 C5 1.397(7) . ?
C5 C6 1.396(7) . ?
C5 C21 1.497(6) . ?
C6 C7 1.439(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.358(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.433(7) . ?
C9 C10 1.397(7) . ?
C10 C11 1.403(6) . ?
C10 C27 1.495(7) . ?
C11 C12 1.444(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.340(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.433(7) . ?
C14 C15 1.400(7) . ?
C15 C16 1.398(7) . ?
C15 C33 1.488(7) . ?
C16 C17 1.451(7) . ?
C17 C18 1.450(7) . ?
C18 C19 1.416(7) . ?
C18 C20 1.394(7) . ?
C19 H19 0.9500 . ?
C20 C39 1.489(7) . ?
C21 C22 1.389(7) . ?
C21 C26 1.391(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.397(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.379(9) . ?
C24 H24 0.9500 . ?
C24 C25 1.373(9) . ?
C25 H25 0.9500 . ?
C25 C26 1.392(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(7) . ?
C27 C32 1.396(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.387(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.390(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.361(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.395(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.397(8) . ?
C33 C38 1.385(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.392(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.375(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.372(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.391(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.384(8) . ?
C39 C44 1.401(8) . ?
C40 H40 0.9500 . ?
C40 C41 1.380(8) . ?
C41 H41 0.9500 . ?
C41 C42 1.391(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.376(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.384(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.437(7) . ?
C45 C64 1.412(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.343(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.444(7) . ?
C48 C49 1.400(7) . ?
C49 C50 1.402(7) . ?
C49 C65 1.486(7) . ?
C50 C51 1.432(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.348(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.421(7) . ?
C53 C54 1.412(7) . ?
C54 C55 1.400(7) . ?
C54 C71 1.483(7) . ?
C55 C56 1.430(7) . ?
C56 H56 0.9500 . ?
C56 C57 1.356(8) . ?
C57 H57 0.9500 . ?
C57 C58 1.423(8) . ?
C58 C59 1.417(7) . ?
C59 C60 1.374(8) . ?
C59 C77 1.493(7) . ?
C60 C61 1.407(8) . ?
C60 C62 1.464(7) . ?
C61 H61 0.9500 . ?
C62 C63 1.461(8) . ?
C63 C64 1.391(8) . ?
C64 C83 1.496(7) . ?
C65 C66 1.379(8) . ?
C65 C70 1.405(8) . ?
C66 H66 0.9500 . ?
C66 C67 1.403(7) . ?
C67 H67 0.9500 . ?
C67 C68 1.383(9) . ?
C68 H68 0.9500 . ?
C68 C69 1.379(8) . ?
C69 H69 0.9500 . ?
C69 C70 1.386(7) . ?
C70 H70 0.9500 . ?
C71 C72 1.404(8) . ?
C71 C76 1.389(8) . ?
C72 H72 0.9500 . ?
C72 C73 1.379(8) . ?
C73 H73 0.9500 . ?
C73 C74 1.382(10) . ?
C74 H74 0.9500 . ?
C74 C75 1.374(9) . ?
C75 H75 0.9500 . ?
C75 C76 1.378(8) . ?
C76 H76 0.9500 . ?
C77 C78 1.396(8) . ?
C77 C82 1.396(8) . ?
C78 H78 0.9500 . ?
C78 C79 1.387(8) . ?
C79 H79 0.9500 . ?
C79 C80 1.374(9) . ?
C80 H80 0.9500 . ?
C80 C81 1.377(10) . ?
C81 H81 0.9500 . ?
C81 C82 1.388(9) . ?
C82 H82 0.9500 . ?
C83 C84 1.387(8) . ?
C83 C88 1.392(8) . ?
C84 H84 0.9500 . ?
C84 C85 1.385(8) . ?
C85 H85 0.9500 . ?
C85 C86 1.380(9) . ?
C86 H86 0.9500 . ?
C86 C87 1.378(10) . ?
C87 H87 0.9500 . ?
C87 C88 1.404(8) . ?
C88 H88 0.9500 . ?
Cl4 C90 1.752(14) . ?
Cl5 C90 1.713(14) . ?
Cl6 C90 1.724(14) . ?
C90 H90 1.0000 . ?
Cl34 C390 1.724(16) . ?
Cl35 C390 1.684(17) . ?
Cl36 C390 1.723(17) . ?
C390 H390 1.0000 . ?
Cl10 C92 1.759(8) . ?
Cl11 C92 1.756(8) . ?
Cl12 C92 1.714(8) . ?
C92 H92 1.0000 . ?
Cl13 C93 1.766(8) . ?
Cl14 C93 1.759(10) . ?
Cl15 C93 1.754(8) . ?
C93 H93 1.0000 . ?
Cl1 C89 1.730(8) . ?
Cl2 C89 1.741(8) . ?
Cl3 C89 1.788(8) . ?
C89 H89 1.0000 . ?
Cl7 C91 1.758(7) . ?
Cl8 C91 1.754(8) . ?
Cl9 C91 1.754(8) . ?
C91 H91 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
O1 Ru1 N1 86.18(15) . . ?
O1 Ru1 N2 112.09(15) . . ?
O1 Ru1 N3 84.28(15) . . ?
O1 Ru1 C17 38.56(17) . . ?
O3 Ru1 O1 153.36(14) . . ?
O3 Ru1 N1 95.24(15) . . ?
O3 Ru1 N2 94.54(15) . . ?
O3 Ru1 N3 95.74(15) . . ?
O3 Ru1 C17 114.83(18) . . ?
N1 Ru1 N2 89.18(15) . . ?
N1 Ru1 C17 87.68(17) . . ?
N2 Ru1 C17 150.63(19) . . ?
N3 Ru1 N1 169.01(16) . . ?
N3 Ru1 N2 89.35(15) . . ?
N3 Ru1 C17 88.27(18) . . ?
O2 Ru2 N5 84.06(16) . . ?
O2 Ru2 N6 113.17(17) . . ?
O2 Ru2 N7 85.54(16) . . ?
O2 Ru2 C62 38.81(17) . . ?
O3 Ru2 O2 152.33(15) . . ?
O3 Ru2 N5 95.89(15) . . ?
O3 Ru2 N6 94.48(16) . . ?
O3 Ru2 N7 96.22(15) . . ?
O3 Ru2 C62 113.54(17) . . ?
N5 Ru2 C62 87.84(18) . . ?
N6 Ru2 N5 89.29(16) . . ?
N6 Ru2 C62 151.98(19) . . ?
N7 Ru2 N5 167.88(16) . . ?
N7 Ru2 N6 89.09(17) . . ?
N7 Ru2 C62 87.97(19) . . ?
C17 O1 Ru1 74.8(3) . . ?
C62 O2 Ru2 75.8(3) . . ?
Ru1 O3 Ru2 175.9(2) . . ?
C1 N1 Ru1 128.5(3) . . ?
C4 N1 Ru1 124.7(3) . . ?
C4 N1 C1 106.3(4) . . ?
C6 N2 Ru1 122.6(3) . . ?
C9 N2 Ru1 123.9(3) . . ?
C9 N2 C6 107.5(4) . . ?
C11 N3 Ru1 126.2(3) . . ?
C11 N3 C14 106.5(4) . . ?
C14 N3 Ru1 126.7(3) . . ?
C19 N4 C16 107.6(4) . . ?
C45 N5 Ru2 126.7(3) . . ?
C45 N5 C48 106.6(4) . . ?
C48 N5 Ru2 125.7(3) . . ?
C50 N6 Ru2 124.0(3) . . ?
C53 N6 Ru2 123.6(3) . . ?
C53 N6 C50 106.5(4) . . ?
C55 N7 Ru2 125.4(3) . . ?
C55 N7 C58 105.4(4) . . ?
C58 N7 Ru2 128.6(3) . . ?
C61 N8 C63 108.7(5) . . ?
N1 C1 C2 109.8(4) . . ?
N1 C1 C20 124.8(4) . . ?
C20 C1 C2 125.1(4) . . ?
C1 C2 H2 126.6 . . ?
C3 C2 C1 106.8(4) . . ?
C3 C2 H2 126.6 . . ?
C2 C3 H3 126.1 . . ?
C2 C3 C4 107.9(4) . . ?
C4 C3 H3 126.1 . . ?
N1 C4 C3 109.2(4) . . ?
N1 C4 C5 126.8(4) . . ?
C5 C4 C3 123.9(4) . . ?
C4 C5 C21 116.9(4) . . ?
C6 C5 C4 124.5(4) . . ?
C6 C5 C21 118.5(4) . . ?
N2 C6 C5 126.1(4) . . ?
N2 C6 C7 108.6(4) . . ?
C5 C6 C7 125.2(4) . . ?
C6 C7 H7 126.4 . . ?
C8 C7 C6 107.1(4) . . ?
C8 C7 H7 126.4 . . ?
C7 C8 H8 126.0 . . ?
C7 C8 C9 108.0(4) . . ?
C9 C8 H8 126.0 . . ?
N2 C9 C8 108.7(4) . . ?
N2 C9 C10 126.7(4) . . ?
C10 C9 C8 124.5(4) . . ?
C9 C10 C11 124.7(4) . . ?
C9 C10 C27 116.7(4) . . ?
C11 C10 C27 118.5(4) . . ?
N3 C11 C10 125.8(4) . . ?
N3 C11 C12 109.3(4) . . ?
C10 C11 C12 124.8(4) . . ?
C11 C12 H12 126.5 . . ?
C13 C12 C11 106.9(4) . . ?
C13 C12 H12 126.5 . . ?
C12 C13 H13 125.7 . . ?
C12 C13 C14 108.5(5) . . ?
C14 C13 H13 125.7 . . ?
N3 C14 C13 108.7(4) . . ?
N3 C14 C15 125.6(4) . . ?
C15 C14 C13 125.7(5) . . ?
C14 C15 C33 120.7(5) . . ?
C16 C15 C14 120.9(5) . . ?
C16 C15 C33 118.3(5) . . ?
N4 C16 C17 109.2(4) . . ?
C15 C16 N4 122.0(5) . . ?
C15 C16 C17 128.7(5) . . ?
O1 C17 Ru1 66.6(2) . . ?
O1 C17 C16 125.5(5) . . ?
O1 C17 C18 124.5(4) . . ?
C16 C17 Ru1 113.5(3) . . ?
C18 C17 Ru1 116.2(4) . . ?
C18 C17 C16 104.8(4) . . ?
C19 C18 C17 105.3(4) . . ?
C20 C18 C17 128.2(5) . . ?
C20 C18 C19 125.8(5) . . ?
N4 C19 C18 113.1(5) . . ?
N4 C19 H19 123.4 . . ?
C18 C19 H19 123.4 . . ?
C1 C20 C39 120.2(4) . . ?
C18 C20 C1 121.3(4) . . ?
C18 C20 C39 118.4(4) . . ?
C22 C21 C5 121.2(5) . . ?
C22 C21 C26 119.0(5) . . ?
C26 C21 C5 119.8(5) . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.1(5) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(5) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.4(5) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.9(6) . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 120.6(5) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C10 118.8(4) . . ?
C28 C27 C32 119.0(5) . . ?
C32 C27 C10 122.1(5) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.5(5) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0(5) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.8(5) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.5 . . ?
C30 C31 C32 121.0(5) . . ?
C32 C31 H31 119.5 . . ?
C27 C32 H32 120.2 . . ?
C31 C32 C27 119.6(5) . . ?
C31 C32 H32 120.2 . . ?
C34 C33 C15 119.3(5) . . ?
C38 C33 C15 122.3(5) . . ?
C38 C33 C34 118.4(5) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.4(6) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(6) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0(5) . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 119.9 . . ?
C36 C37 C38 120.2(6) . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 120.8(6) . . ?
C33 C38 H38 119.6 . . ?
C37 C38 H38 119.6 . . ?
C40 C39 C20 120.4(5) . . ?
C40 C39 C44 118.4(5) . . ?
C44 C39 C20 121.2(5) . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 120.9(6) . . ?
C41 C40 H40 119.5 . . ?
C40 C41 H41 119.9 . . ?
C40 C41 C42 120.2(6) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.6(5) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.3(6) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 H44 119.7 . . ?
C43 C44 C39 120.6(6) . . ?
C43 C44 H44 119.7 . . ?
N5 C45 C46 109.3(4) . . ?
N5 C45 C64 126.2(5) . . ?
C64 C45 C46 124.5(5) . . ?
C45 C46 H46 126.1 . . ?
C47 C46 C45 107.8(5) . . ?
C47 C46 H46 126.1 . . ?
C46 C47 H47 126.5 . . ?
C46 C47 C48 106.9(5) . . ?
C48 C47 H47 126.5 . . ?
N5 C48 C47 109.4(4) . . ?
N5 C48 C49 126.2(5) . . ?
C49 C48 C47 124.5(5) . . ?
C48 C49 C50 124.4(5) . . ?
C48 C49 C65 118.7(5) . . ?
C50 C49 C65 116.9(5) . . ?
N6 C50 C49 125.9(5) . . ?
N6 C50 C51 108.9(4) . . ?
C49 C50 C51 125.2(5) . . ?
C50 C51 H51 126.2 . . ?
C52 C51 C50 107.7(5) . . ?
C52 C51 H51 126.2 . . ?
C51 C52 H52 126.4 . . ?
C51 C52 C53 107.3(5) . . ?
C53 C52 H52 126.4 . . ?
N6 C53 C52 109.7(4) . . ?
N6 C53 C54 124.9(5) . . ?
C54 C53 C52 125.4(5) . . ?
C53 C54 C71 116.5(5) . . ?
C55 C54 C53 124.7(5) . . ?
C55 C54 C71 118.8(5) . . ?
N7 C55 C54 126.0(5) . . ?
N7 C55 C56 110.2(5) . . ?
C54 C55 C56 123.8(5) . . ?
C55 C56 H56 126.6 . . ?
C57 C56 C55 106.9(5) . . ?
C57 C56 H56 126.6 . . ?
C56 C57 H57 126.1 . . ?
C56 C57 C58 107.8(5) . . ?
C58 C57 H57 126.1 . . ?
N7 C58 C57 109.7(5) . . ?
N7 C58 C59 124.0(5) . . ?
C59 C58 C57 126.3(5) . . ?
C58 C59 C77 118.7(5) . . ?
C60 C59 C58 122.6(5) . . ?
C60 C59 C77 118.6(5) . . ?
C59 C60 C61 127.2(5) . . ?
C59 C60 C62 127.6(5) . . ?
C61 C60 C62 104.9(5) . . ?
N8 C61 C60 113.1(5) . . ?
N8 C61 H61 123.5 . . ?
C60 C61 H61 123.5 . . ?
O2 C62 Ru2 65.3(2) . . ?
O2 C62 C60 123.6(5) . . ?
O2 C62 C63 125.5(5) . . ?
C60 C62 Ru2 116.6(3) . . ?
C63 C62 Ru2 115.6(4) . . ?
C63 C62 C60 104.9(4) . . ?
N8 C63 C62 108.3(5) . . ?
N8 C63 C64 124.0(5) . . ?
C64 C63 C62 127.5(5) . . ?
C45 C64 C83 118.4(5) . . ?
C63 C64 C45 121.0(5) . . ?
C63 C64 C83 120.5(5) . . ?
C66 C65 C49 122.4(5) . . ?
C66 C65 C70 119.3(5) . . ?
C70 C65 C49 118.3(5) . . ?
C65 C66 H66 119.9 . . ?
C65 C66 C67 120.1(6) . . ?
C67 C66 H66 119.9 . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.1(5) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 119.9(5) . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 119.8 . . ?
C68 C69 C70 120.4(6) . . ?
C70 C69 H69 119.8 . . ?
C65 C70 H70 119.9 . . ?
C69 C70 C65 120.1(5) . . ?
C69 C70 H70 119.9 . . ?
C72 C71 C54 120.4(5) . . ?
C76 C71 C54 121.6(5) . . ?
C76 C71 C72 118.0(5) . . ?
C71 C72 H72 120.1 . . ?
C73 C72 C71 119.7(6) . . ?
C73 C72 H72 120.1 . . ?
C72 C73 H73 119.4 . . ?
C72 C73 C74 121.2(6) . . ?
C74 C73 H73 119.4 . . ?
C73 C74 H74 120.3 . . ?
C75 C74 C73 119.4(6) . . ?
C75 C74 H74 120.3 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 119.9(6) . . ?
C76 C75 H75 120.0 . . ?
C71 C76 H76 119.2 . . ?
C75 C76 C71 121.6(6) . . ?
C75 C76 H76 119.2 . . ?
C78 C77 C59 122.7(5) . . ?
C82 C77 C59 119.6(6) . . ?
C82 C77 C78 117.6(5) . . ?
C77 C78 H78 119.6 . . ?
C79 C78 C77 120.8(6) . . ?
C79 C78 H78 119.6 . . ?
C78 C79 H79 119.4 . . ?
C80 C79 C78 121.2(7) . . ?
C80 C79 H79 119.4 . . ?
C79 C80 H80 120.8 . . ?
C79 C80 C81 118.4(6) . . ?
C81 C80 H80 120.8 . . ?
C80 C81 H81 119.2 . . ?
C80 C81 C82 121.5(7) . . ?
C82 C81 H81 119.2 . . ?
C77 C82 H82 119.8 . . ?
C81 C82 C77 120.4(7) . . ?
C81 C82 H82 119.8 . . ?
C84 C83 C64 120.6(5) . . ?
C84 C83 C88 119.2(5) . . ?
C88 C83 C64 120.1(5) . . ?
C83 C84 H84 119.5 . . ?
C85 C84 C83 121.0(6) . . ?
C85 C84 H84 119.5 . . ?
C84 C85 H85 120.1 . . ?
C86 C85 C84 119.8(6) . . ?
C86 C85 H85 120.1 . . ?
C85 C86 H86 120.0 . . ?
C87 C86 C85 120.0(6) . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 119.8 . . ?
C86 C87 C88 120.5(6) . . ?
C88 C87 H87 119.8 . . ?
C83 C88 C87 119.4(6) . . ?
C83 C88 H88 120.3 . . ?
C87 C88 H88 120.3 . . ?
Cl4 C90 H90 108.7 . . ?
Cl5 C90 Cl4 110.0(10) . . ?
Cl5 C90 Cl6 112.8(9) . . ?
Cl5 C90 H90 108.7 . . ?
Cl6 C90 Cl4 107.7(8) . . ?
Cl6 C90 H90 108.7 . . ?
Cl34 C390 H390 109.3 . . ?
Cl35 C390 Cl34 106.1(10) . . ?
Cl35 C390 Cl36 109.4(11) . . ?
Cl35 C390 H390 109.3 . . ?
Cl36 C390 Cl34 113.3(12) . . ?
Cl36 C390 H390 109.3 . . ?
Cl10 C92 H92 109.8 . . ?
Cl11 C92 Cl10 109.2(4) . . ?
Cl11 C92 H92 109.8 . . ?
Cl12 C92 Cl10 110.0(5) . . ?
Cl12 C92 Cl11 108.1(5) . . ?
Cl12 C92 H92 109.8 . . ?
Cl13 C93 H93 108.2 . . ?
Cl14 C93 Cl13 109.6(5) . . ?
Cl14 C93 H93 108.2 . . ?
Cl15 C93 Cl13 109.8(4) . . ?
Cl15 C93 Cl14 112.5(5) . . ?
Cl15 C93 H93 108.2 . . ?
Cl1 C89 Cl2 111.7(4) . . ?
Cl1 C89 Cl3 110.6(4) . . ?
Cl1 C89 H89 107.9 . . ?
Cl2 C89 Cl3 110.6(4) . . ?
Cl2 C89 H89 107.9 . . ?
Cl3 C89 H89 107.9 . . ?
Cl7 C91 H91 108.2 . . ?
Cl8 C91 Cl7 110.8(4) . . ?
Cl8 C91 H91 108.2 . . ?
Cl9 C91 Cl7 110.7(4) . . ?
Cl9 C91 Cl8 110.7(4) . . ?
Cl9 C91 H91 108.2 . . ?

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 O1 C17 C16 103.0(5) . . . . ?
Ru1 O1 C17 C18 -106.7(5) . . . . ?
Ru1 N1 C1 C2 172.5(3) . . . . ?
Ru1 N1 C1 C20 -13.3(8) . . . . ?
Ru1 N1 C4 C3 -173.5(3) . . . . ?
Ru1 N1 C4 C5 3.3(7) . . . . ?
Ru1 N2 C6 C5 25.9(7) . . . . ?
Ru1 N2 C6 C7 -153.6(3) . . . . ?
Ru1 N2 C9 C8 154.1(3) . . . . ?
Ru1 N2 C9 C10 -23.6(7) . . . . ?
Ru1 N3 C11 C10 -5.4(7) . . . . ?
Ru1 N3 C11 C12 172.2(3) . . . . ?
Ru1 N3 C14 C13 -172.9(3) . . . . ?
Ru1 N3 C14 C15 8.0(7) . . . . ?
Ru1 C17 C18 C19 126.8(4) . . . . ?
Ru1 C17 C18 C20 -44.3(7) . . . . ?
Ru2 O2 C62 C60 -106.7(5) . . . . ?
Ru2 O2 C62 C63 104.8(5) . . . . ?
Ru2 N5 C45 C46 -169.7(3) . . . . ?
Ru2 N5 C45 C64 10.6(8) . . . . ?
Ru2 N5 C48 C47 169.4(3) . . . . ?
Ru2 N5 C48 C49 -11.0(8) . . . . ?
Ru2 N6 C50 C49 -27.2(8) . . . . ?
Ru2 N6 C50 C51 153.3(4) . . . . ?
Ru2 N6 C53 C52 -152.5(4) . . . . ?
Ru2 N6 C53 C54 29.4(7) . . . . ?
Ru2 N7 C55 C54 7.6(7) . . . . ?
Ru2 N7 C55 C56 -170.6(4) . . . . ?
Ru2 N7 C58 C57 170.3(4) . . . . ?
Ru2 N7 C58 C59 -11.7(7) . . . . ?
Ru2 C62 C63 N8 -131.9(4) . . . . ?
Ru2 C62 C63 C64 44.2(7) . . . . ?
O1 C17 C18 C19 -154.7(5) . . . . ?
O1 C17 C18 C20 34.2(8) . . . . ?
O2 C62 C63 N8 151.2(5) . . . . ?
O2 C62 C63 C64 -32.6(8) . . . . ?
N1 C1 C2 C3 0.7(6) . . . . ?
N1 C1 C20 C18 13.9(8) . . . . ?
N1 C1 C20 C39 -162.0(5) . . . . ?
N1 C4 C5 C6 -12.6(8) . . . . ?
N1 C4 C5 C21 169.5(5) . . . . ?
N2 C6 C7 C8 -1.0(6) . . . . ?
N2 C9 C10 C11 12.4(8) . . . . ?
N2 C9 C10 C27 -167.2(5) . . . . ?
N3 C11 C12 C13 0.5(6) . . . . ?
N3 C14 C15 C16 -14.5(8) . . . . ?
N3 C14 C15 C33 163.3(5) . . . . ?
N4 C16 C17 Ru1 -128.2(4) . . . . ?
N4 C16 C17 O1 154.6(5) . . . . ?
N4 C16 C17 C18 -0.4(6) . . . . ?
N5 C45 C46 C47 1.1(6) . . . . ?
N5 C45 C64 C63 -17.6(8) . . . . ?
N5 C45 C64 C83 162.1(5) . . . . ?
N5 C48 C49 C50 7.0(9) . . . . ?
N5 C48 C49 C65 -175.2(5) . . . . ?
N6 C50 C51 C52 -0.9(6) . . . . ?
N6 C53 C54 C55 -7.9(9) . . . . ?
N6 C53 C54 C71 170.8(5) . . . . ?
N7 C55 C56 C57 -0.6(6) . . . . ?
N7 C58 C59 C60 12.8(8) . . . . ?
N7 C58 C59 C77 -162.8(5) . . . . ?
N8 C63 C64 C45 161.7(5) . . . . ?
N8 C63 C64 C83 -18.0(8) . . . . ?
C1 N1 C4 C3 -0.4(6) . . . . ?
C1 N1 C4 C5 176.4(5) . . . . ?
C1 C2 C3 C4 -0.9(6) . . . . ?
C1 C20 C39 C40 -137.5(6) . . . . ?
C1 C20 C39 C44 44.2(7) . . . . ?
C2 C1 C20 C18 -172.9(5) . . . . ?
C2 C1 C20 C39 11.3(8) . . . . ?
C2 C3 C4 N1 0.9(6) . . . . ?
C2 C3 C4 C5 -176.0(5) . . . . ?
C3 C4 C5 C6 163.7(5) . . . . ?
C3 C4 C5 C21 -14.2(7) . . . . ?
C4 N1 C1 C2 -0.2(6) . . . . ?
C4 N1 C1 C20 174.0(5) . . . . ?
C4 C5 C6 N2 -3.7(8) . . . . ?
C4 C5 C6 C7 175.7(5) . . . . ?
C4 C5 C21 C22 125.8(5) . . . . ?
C4 C5 C21 C26 -52.9(6) . . . . ?
C5 C6 C7 C8 179.5(5) . . . . ?
C5 C21 C22 C23 -179.6(5) . . . . ?
C5 C21 C26 C25 179.2(5) . . . . ?
C6 N2 C9 C8 1.0(5) . . . . ?
C6 N2 C9 C10 -176.7(5) . . . . ?
C6 C5 C21 C22 -52.2(7) . . . . ?
C6 C5 C21 C26 129.0(5) . . . . ?
C6 C7 C8 C9 1.5(6) . . . . ?
C7 C8 C9 N2 -1.6(6) . . . . ?
C7 C8 C9 C10 176.2(5) . . . . ?
C8 C9 C10 C11 -165.0(5) . . . . ?
C8 C9 C10 C27 15.4(7) . . . . ?
C9 N2 C6 C5 179.5(5) . . . . ?
C9 N2 C6 C7 0.0(5) . . . . ?
C9 C10 C11 N3 3.6(8) . . . . ?
C9 C10 C11 C12 -173.6(5) . . . . ?
C9 C10 C27 C28 55.5(7) . . . . ?
C9 C10 C27 C32 -121.3(6) . . . . ?
C10 C11 C12 C13 178.1(5) . . . . ?
C10 C27 C28 C29 -176.7(5) . . . . ?
C10 C27 C32 C31 177.6(5) . . . . ?
C11 N3 C14 C13 -1.4(5) . . . . ?
C11 N3 C14 C15 179.6(5) . . . . ?
C11 C10 C27 C28 -124.2(5) . . . . ?
C11 C10 C27 C32 59.1(7) . . . . ?
C11 C12 C13 C14 -1.3(6) . . . . ?
C12 C13 C14 N3 1.7(6) . . . . ?
C12 C13 C14 C15 -179.2(5) . . . . ?
C13 C14 C15 C16 166.6(5) . . . . ?
C13 C14 C15 C33 -15.6(8) . . . . ?
C14 N3 C11 C10 -177.0(5) . . . . ?
C14 N3 C11 C12 0.6(5) . . . . ?
C14 C15 C16 N4 157.0(5) . . . . ?
C14 C15 C16 C17 -18.2(9) . . . . ?
C14 C15 C33 C34 133.9(6) . . . . ?
C14 C15 C33 C38 -46.8(8) . . . . ?
C15 C16 C17 Ru1 47.5(7) . . . . ?
C15 C16 C17 O1 -29.7(9) . . . . ?
C15 C16 C17 C18 175.3(5) . . . . ?
C15 C33 C34 C35 179.8(5) . . . . ?
C15 C33 C38 C37 -178.6(5) . . . . ?
C16 N4 C19 C18 0.5(6) . . . . ?
C16 C15 C33 C34 -48.3(7) . . . . ?
C16 C15 C33 C38 131.1(6) . . . . ?
C16 C17 C18 C19 0.7(6) . . . . ?
C16 C17 C18 C20 -170.4(5) . . . . ?
C17 C18 C19 N4 -0.8(6) . . . . ?
C17 C18 C20 C1 18.9(9) . . . . ?
C17 C18 C20 C39 -165.2(5) . . . . ?
C18 C20 C39 C40 46.6(7) . . . . ?
C18 C20 C39 C44 -131.7(6) . . . . ?
C19 N4 C16 C15 -176.1(5) . . . . ?
C19 N4 C16 C17 0.0(6) . . . . ?
C19 C18 C20 C1 -150.5(5) . . . . ?
C19 C18 C20 C39 25.4(8) . . . . ?
C20 C1 C2 C3 -173.4(5) . . . . ?
C20 C18 C19 N4 170.6(5) . . . . ?
C20 C39 C40 C41 -179.9(5) . . . . ?
C20 C39 C44 C43 -179.8(5) . . . . ?
C21 C5 C6 N2 174.2(5) . . . . ?
C21 C5 C6 C7 -6.4(7) . . . . ?
C21 C22 C23 C24 1.5(8) . . . . ?
C22 C21 C26 C25 0.4(8) . . . . ?
C22 C23 C24 C25 -1.8(9) . . . . ?
C23 C24 C25 C26 1.4(9) . . . . ?
C24 C25 C26 C21 -0.7(8) . . . . ?
C26 C21 C22 C23 -0.8(7) . . . . ?
C27 C10 C11 N3 -176.8(4) . . . . ?
C27 C10 C11 C12 6.0(7) . . . . ?
C27 C28 C29 C30 -0.7(9) . . . . ?
C28 C27 C32 C31 0.8(8) . . . . ?
C28 C29 C30 C31 0.3(9) . . . . ?
C29 C30 C31 C32 0.7(9) . . . . ?
C30 C31 C32 C27 -1.3(9) . . . . ?
C32 C27 C28 C29 0.2(8) . . . . ?
C33 C15 C16 N4 -20.8(8) . . . . ?
C33 C15 C16 C17 164.0(5) . . . . ?
C33 C34 C35 C36 -1.2(10) . . . . ?
C34 C33 C38 C37 0.8(8) . . . . ?
C34 C35 C36 C37 0.7(10) . . . . ?
C35 C36 C37 C38 0.5(9) . . . . ?
C36 C37 C38 C33 -1.2(9) . . . . ?
C38 C33 C34 C35 0.4(9) . . . . ?
C39 C40 C41 C42 0.8(8) . . . . ?
C40 C39 C44 C43 1.9(8) . . . . ?
C40 C41 C42 C43 -0.2(9) . . . . ?
C41 C42 C43 C44 0.5(9) . . . . ?
C42 C43 C44 C39 -1.3(9) . . . . ?
C44 C39 C40 C41 -1.6(8) . . . . ?
C45 N5 C48 C47 0.4(6) . . . . ?
C45 N5 C48 C49 -180.0(5) . . . . ?
C45 C46 C47 C48 -0.8(6) . . . . ?
C45 C64 C83 C84 -44.1(7) . . . . ?
C45 C64 C83 C88 134.9(5) . . . . ?
C46 C45 C64 C63 162.7(5) . . . . ?
C46 C45 C64 C83 -17.6(8) . . . . ?
C46 C47 C48 N5 0.3(6) . . . . ?
C46 C47 C48 C49 -179.4(5) . . . . ?
C47 C48 C49 C50 -173.4(5) . . . . ?
C47 C48 C49 C65 4.4(8) . . . . ?
C48 N5 C45 C46 -0.9(6) . . . . ?
C48 N5 C45 C64 179.4(5) . . . . ?
C48 C49 C50 N6 13.9(9) . . . . ?
C48 C49 C50 C51 -166.7(5) . . . . ?
C48 C49 C65 C66 57.0(7) . . . . ?
C48 C49 C65 C70 -123.6(5) . . . . ?
C49 C50 C51 C52 179.6(5) . . . . ?
C49 C65 C66 C67 -178.8(5) . . . . ?
C49 C65 C70 C69 -179.3(5) . . . . ?
C50 N6 C53 C52 1.1(6) . . . . ?
C50 N6 C53 C54 -177.1(5) . . . . ?
C50 C49 C65 C66 -125.1(6) . . . . ?
C50 C49 C65 C70 54.3(7) . . . . ?
C50 C51 C52 C53 1.5(6) . . . . ?
C51 C52 C53 N6 -1.7(6) . . . . ?
C51 C52 C53 C54 176.5(5) . . . . ?
C52 C53 C54 C55 174.2(5) . . . . ?
C52 C53 C54 C71 -7.1(8) . . . . ?
C53 N6 C50 C49 179.3(5) . . . . ?
C53 N6 C50 C51 -0.2(6) . . . . ?
C53 C54 C55 N7 -12.3(9) . . . . ?
C53 C54 C55 C56 165.6(5) . . . . ?
C53 C54 C71 C72 121.3(6) . . . . ?
C53 C54 C71 C76 -55.9(7) . . . . ?
C54 C55 C56 C57 -178.9(5) . . . . ?
C54 C71 C72 C73 -175.2(5) . . . . ?
C54 C71 C76 C75 175.7(5) . . . . ?
C55 N7 C58 C57 -0.9(6) . . . . ?
C55 N7 C58 C59 177.2(5) . . . . ?
C55 C54 C71 C72 -59.9(7) . . . . ?
C55 C54 C71 C76 122.8(6) . . . . ?
C55 C56 C57 C58 0.1(6) . . . . ?
C56 C57 C58 N7 0.5(6) . . . . ?
C56 C57 C58 C59 -177.5(5) . . . . ?
C57 C58 C59 C60 -169.5(5) . . . . ?
C57 C58 C59 C77 14.9(8) . . . . ?
C58 N7 C55 C54 179.1(5) . . . . ?
C58 N7 C55 C56 0.9(6) . . . . ?
C58 C59 C60 C61 -155.1(5) . . . . ?
C58 C59 C60 C62 18.3(9) . . . . ?
C58 C59 C77 C78 45.8(8) . . . . ?
C58 C59 C77 C82 -135.4(6) . . . . ?
C59 C60 C61 N8 173.1(5) . . . . ?
C59 C60 C62 Ru2 -43.3(7) . . . . ?
C59 C60 C62 O2 33.6(8) . . . . ?
C59 C60 C62 C63 -172.6(5) . . . . ?
C59 C77 C78 C79 177.6(5) . . . . ?
C59 C77 C82 C81 -178.5(6) . . . . ?
C60 C59 C77 C78 -129.9(6) . . . . ?
C60 C59 C77 C82 48.8(8) . . . . ?
C60 C62 C63 N8 -2.0(6) . . . . ?
C60 C62 C63 C64 174.1(5) . . . . ?
C61 N8 C63 C62 1.2(6) . . . . ?
C61 N8 C63 C64 -175.2(5) . . . . ?
C61 C60 C62 Ru2 131.3(4) . . . . ?
C61 C60 C62 O2 -151.8(5) . . . . ?
C61 C60 C62 C63 2.1(5) . . . . ?
C62 C60 C61 N8 -1.5(6) . . . . ?
C62 C63 C64 C45 -14.0(8) . . . . ?
C62 C63 C64 C83 166.4(5) . . . . ?
C63 N8 C61 C60 0.2(6) . . . . ?
C63 C64 C83 C84 135.6(6) . . . . ?
C63 C64 C83 C88 -45.5(7) . . . . ?
C64 C45 C46 C47 -179.2(5) . . . . ?
C64 C83 C84 C85 178.9(5) . . . . ?
C64 C83 C88 C87 -178.9(5) . . . . ?
C65 C49 C50 N6 -163.9(5) . . . . ?
C65 C49 C50 C51 15.5(8) . . . . ?
C65 C66 C67 C68 -2.2(8) . . . . ?
C66 C65 C70 C69 0.1(8) . . . . ?
C66 C67 C68 C69 0.7(8) . . . . ?
C67 C68 C69 C70 1.2(8) . . . . ?
C68 C69 C70 C65 -1.6(8) . . . . ?
C70 C65 C66 C67 1.8(8) . . . . ?
C71 C54 C55 N7 169.0(5) . . . . ?
C71 C54 C55 C56 -13.1(8) . . . . ?
C71 C72 C73 C74 -1.3(9) . . . . ?
C72 C71 C76 C75 -1.6(8) . . . . ?
C72 C73 C74 C75 -0.3(9) . . . . ?
C73 C74 C75 C76 0.8(9) . . . . ?
C74 C75 C76 C71 0.1(9) . . . . ?
C76 C71 C72 C73 2.2(8) . . . . ?
C77 C59 C60 C61 20.5(8) . . . . ?
C77 C59 C60 C62 -166.1(5) . . . . ?
C77 C78 C79 C80 1.4(9) . . . . ?
C78 C77 C82 C81 0.3(10) . . . . ?
C78 C79 C80 C81 -0.6(10) . . . . ?
C79 C80 C81 C82 -0.3(11) . . . . ?
C80 C81 C82 C77 0.5(12) . . . . ?
C82 C77 C78 C79 -1.2(9) . . . . ?
C83 C84 C85 C86 -0.6(9) . . . . ?
C84 C83 C88 C87 0.1(8) . . . . ?
C84 C85 C86 C87 1.3(9) . . . . ?
C85 C86 C87 C88 -1.3(9) . . . . ?
C86 C87 C88 C83 0.6(9) . . . . ?
C88 C83 C84 C85 -0.1(8) . . . . ?

_olex2_exptl_crystal_mounting_method loop
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.764
_oxdiff_exptl_absorpt_empirical_full_min 0.751
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CHCl3/hexane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_proffuruta_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2076069'
loop_
_audit_author_name
_audit_author_address
'Shigeki Mori'
;Advanced Research Support Center, Ehime University
Japan
;
_audit_update_record             
;
2021-04-08 deposited with the CCDC.	2021-07-05 downloaded from the CCDC.
;
_audit_creation_date             2021-02-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Ru2-3
_chemical_formula_moiety         'C88 H53 N8 O3 Ru2, 5(C1 H1 Cl3)'
_chemical_formula_sum            'C93 H58 Cl15 N8 O3 Ru2'
_chemical_formula_weight         2069.36
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C88 H54 N8 O3 Ru2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   13.0869(3)
_cell_length_b                   18.3474(4)
_cell_length_c                   18.8229(4)
_cell_angle_alpha                78.272(2)
_cell_angle_beta                 79.906(2)
_cell_angle_gamma                82.497(2)
_cell_volume                     4335.54(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    42586
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.3420
_cell_measurement_theta_min      1.8350
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.958
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2078
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            74535
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.588
_diffrn_ambient_temperature      100
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 7.111
_diffrn_detector_type            'Rigaku Saturn724+ area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00  90.00  360
  2  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00 180.00  360
  3  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00 270.00  360
  4  ω   -110.00  70.00   0.50    4.00    --  -20.00  45.00   0.00  360
;
_diffrn_measurement_device       .
_diffrn_measurement_device_type  'Rigaku Varimax with Saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0315171000
_diffrn_orient_matrix_UB_12      0.0343577000
_diffrn_orient_matrix_UB_13      -0.0072921000
_diffrn_orient_matrix_UB_21      -0.0442862000
_diffrn_orient_matrix_UB_22      -0.0198158000
_diffrn_orient_matrix_UB_23      0.0038036000
_diffrn_orient_matrix_UB_31      -0.0102835000
_diffrn_orient_matrix_UB_32      0.0010600000
_diffrn_orient_matrix_UB_33      0.0380678000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'MicroMax 007'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16163
_reflns_number_total             20907
_reflns_odcompleteness_completeness 90.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     31.25
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_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, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.459
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1201
_refine_ls_number_reflns         20907
_refine_ls_number_restraints     378
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0557
_refine_ls_restrained_S_all      1.050
_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)+(0.0445P)²+13.6878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1236
_refine_ls_wR_factor_ref         0.1318
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Shared sites
{N4, C119}
{C19, N104}
{N8, C163}
{C63, N108}
3. Restrained distances
 Cl4-C90 = Cl5-C90 = Cl6-C90
 1.78 with sigma of 0.02
 Cl1-C89 = Cl2-C89 = Cl3-C89
 1.78 with sigma of 0.02
 Cl34-C190 = Cl35-C190 = Cl36-C190
 1.78 with sigma of 0.02
 Cl31-C189 = Cl32-C189 = Cl33-C189
 1.78 with sigma of 0.02
 Cl10-C92 = Cl11-C92 = Cl12-C92
 1.78 with sigma of 0.02
 Cl40-C192 = Cl41-C192 = Cl42-C192
 1.78 with sigma of 0.02
 Cl1-Cl2 = Cl2-Cl3 = Cl3-Cl1
 2.85 with sigma of 0.04
 Cl4-Cl5 = Cl5-Cl6 = Cl6-Cl4
 2.85 with sigma of 0.04
 Cl34-Cl35 = Cl35-Cl36 = Cl36-Cl34
 2.85 with sigma of 0.04
 Cl31-Cl32 = Cl32-Cl33 = Cl33-Cl31
 2.85 with sigma of 0.04
 Cl10-Cl11 = Cl11-Cl12 = Cl12-Cl10
 2.85 with sigma of 0.04
 Cl40-Cl41 = Cl41-Cl42 = Cl42-Cl40
 2.85 with sigma of 0.04
4. Uiso/Uaniso restraints and constraints
Cl1 \\sim Cl2 \\sim Cl3 \\sim C89: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04 within 2A
Cl4 \\sim Cl5 \\sim Cl6 \\sim C90: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04 within 2A
Cl31 \\sim Cl32 \\sim Cl33 \\sim C189: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
Cl34 \\sim Cl35 \\sim Cl36 \\sim C190: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
Cl10 \\sim Cl11 \\sim Cl12 \\sim C92: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
Cl40 \\sim Cl41 \\sim Cl42 \\sim C192: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
Uanis(Cl4) \\sim Ueq, Uanis(Cl5) \\sim Ueq, Uanis(Cl6) \\sim Ueq, Uanis(C90)
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(Cl1) \\sim Ueq, Uanis(Cl2) \\sim Ueq, Uanis(Cl3) \\sim Ueq, Uanis(C89)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl34) \\sim Ueq, Uanis(Cl35) \\sim Ueq, Uanis(Cl36) \\sim Ueq,
Uanis(C190) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl31) \\sim Ueq, Uanis(Cl32) \\sim Ueq, Uanis(Cl33) \\sim Ueq,
Uanis(C189) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl10) \\sim Ueq, Uanis(Cl11) \\sim Ueq, Uanis(Cl12) \\sim Ueq, Uanis(C92)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(Cl40) \\sim Ueq, Uanis(Cl41) \\sim Ueq, Uanis(Cl42) \\sim Ueq,
Uanis(C192) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N4) = Uanis(C119)
Uanis(C19) = Uanis(N104)
Uanis(C63) = Uanis(N108)
Uanis(N8) = Uanis(C163)
5. Rigid body (RIGU) restrains
 Cl4, Cl5, Cl6, C90
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl1, Cl2, Cl3, C89
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl31, Cl32, Cl33, C189
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl34, Cl35, Cl36, C190
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl10, Cl11, Cl12, C92
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl40, Cl41, Cl42, C192
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(N104)=Sof(C119)=Sof(H119)=Sof(Cl31)=Sof(Cl32)=Sof(Cl33)=Sof(C189)=
 Sof(H189)=1-FVAR(1)
 Sof(N4)=Sof(C19)=Sof(H19)=Sof(Cl1)=Sof(Cl2)=Sof(Cl3)=Sof(C89)=Sof(H89)=FVAR(1)
 Sof(N108)=Sof(C163)=Sof(H163)=Sof(Cl34)=Sof(Cl35)=Sof(Cl36)=Sof(C190)=
 Sof(H190)=1-FVAR(2)
 Sof(N8)=Sof(C63)=Sof(H63)=Sof(Cl4)=Sof(Cl5)=Sof(Cl6)=Sof(C90)=Sof(H90)=FVAR(2)
 Sof(Cl40)=Sof(Cl41)=Sof(Cl42)=Sof(C192)=Sof(H192)=1-FVAR(3)
 Sof(Cl10)=Sof(Cl11)=Sof(Cl12)=Sof(C92)=Sof(H92)=FVAR(3)
7.a Ternary CH refined with riding coordinates:
 C90(H90), C190(H190), C89(H89), C189(H189), C92(H92), C192(H192), C93(H93),
 C91(H91)
7.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C12(H12), C13(H13), C22(H22), C23(H23),
 C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32),
  C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C40(H40), C41(H41),
 C42(H42), C43(H43), C44(H44), C46(H46), C47(H47), C51(H51), C52(H52), C56(H56),
  C57(H57), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72), C73(H73),
 C74(H74), C75(H75), C76(H76), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82),
  C84(H84), C85(H85), C86(H86), C87(H87), C88(H88), C19(H19), C119(H119),
 C63(H63), C163(H163)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.89071(2) 0.76337(2) 0.24481(2) 0.01258(7) Uani 1 1 d . . . . .
Ru2 Ru 0.61742(2) 0.74541(2) 0.25852(2) 0.01313(7) Uani 1 1 d . . . . .
O1 O 1.01510(19) 0.79010(14) 0.28069(14) 0.0201(5) Uani 1 1 d . . . . .
O2 O 0.50040(19) 0.69147(14) 0.24730(15) 0.0203(5) Uani 1 1 d . . . . .
O3 O 0.75355(18) 0.75760(13) 0.24997(13) 0.0140(5) Uani 1 1 d . . . . .
N1 N 0.8948(2) 0.86677(16) 0.17527(16) 0.0154(6) Uani 1 1 d . . . . .
N2 N 0.9332(2) 0.71262(16) 0.15357(16) 0.0173(6) Uani 1 1 d . . . . .
N3 N 0.9182(2) 0.66049(16) 0.31218(17) 0.0169(6) Uani 1 1 d . . . . .
N5 N 0.6057(2) 0.67916(16) 0.36260(17) 0.0164(6) Uani 1 1 d . . . . .
N6 N 0.5681(2) 0.83925(16) 0.30607(17) 0.0183(6) Uani 1 1 d . . . . .
N7 N 0.5960(2) 0.80972(16) 0.15681(16) 0.0170(6) Uani 1 1 d . . . . .
C1 C 0.9024(3) 0.9360(2) 0.1921(2) 0.0188(7) Uani 1 1 d . . . . .
C2 C 0.9156(3) 0.9905(2) 0.1261(2) 0.0193(7) Uani 1 1 d . . . . .
H2 H 0.924886 1.041705 0.122391 0.023 Uiso 1 1 calc R U . . .
C3 C 0.9124(3) 0.95596(19) 0.0700(2) 0.0180(7) Uani 1 1 d . . . . .
H3 H 0.917041 0.978595 0.019575 0.022 Uiso 1 1 calc R U . . .
C4 C 0.9007(3) 0.87822(18) 0.10055(19) 0.0149(7) Uani 1 1 d . . . . .
C5 C 0.9003(3) 0.82362(19) 0.05803(19) 0.0157(7) Uani 1 1 d . . . . .
C6 C 0.9122(3) 0.7465(2) 0.08469(19) 0.0161(7) Uani 1 1 d . . . . .
C7 C 0.9055(3) 0.6896(2) 0.0434(2) 0.0184(7) Uani 1 1 d . . . . .
H7 H 0.891198 0.697749 -0.005570 0.022 Uiso 1 1 calc R U . . .
C8 C 0.9231(3) 0.6229(2) 0.0871(2) 0.0184(7) Uani 1 1 d . . . . .
H8 H 0.924487 0.575245 0.074271 0.022 Uiso 1 1 calc R U . . .
C9 C 0.9394(3) 0.63649(19) 0.1565(2) 0.0168(7) Uani 1 1 d . . . . .
C10 C 0.9542(3) 0.58024(19) 0.2174(2) 0.0167(7) Uani 1 1 d . . . . .
C11 C 0.9476(3) 0.59258(19) 0.2893(2) 0.0176(7) Uani 1 1 d . . . . .
C12 C 0.9714(3) 0.5362(2) 0.3513(2) 0.0214(8) Uani 1 1 d . . . . .
H12 H 0.992916 0.484779 0.350888 0.026 Uiso 1 1 calc R U . . .
C13 C 0.9575(3) 0.5699(2) 0.4100(2) 0.0227(8) Uani 1 1 d . . . . .
H13 H 0.967238 0.546511 0.458510 0.027 Uiso 1 1 calc R U . . .
C14 C 0.9252(3) 0.6476(2) 0.3860(2) 0.0187(7) Uani 1 1 d . . . . .
C15 C 0.9040(3) 0.7015(2) 0.4310(2) 0.0204(8) Uani 1 1 d . . . . .
C16 C 0.8944(3) 0.7779(2) 0.4014(2) 0.0228(8) Uani 1 1 d . . . . .
C17 C 0.9310(3) 0.8146(2) 0.3262(2) 0.0191(7) Uani 1 1 d . . . . .
C18 C 0.8907(3) 0.8929(2) 0.3244(2) 0.0196(7) Uani 1 1 d . . . . .
C20 C 0.8909(3) 0.9505(2) 0.2639(2) 0.0195(7) Uani 1 1 d . . . . .
C21 C 0.8894(3) 0.85059(19) -0.0209(2) 0.0183(7) Uani 1 1 d . . . . .
C22 C 0.9617(3) 0.8259(2) -0.0769(2) 0.0241(8) Uani 1 1 d . . . . .
H22 H 1.019354 0.791032 -0.065047 0.029 Uiso 1 1 calc R U . . .
C23 C 0.9499(4) 0.8520(2) -0.1498(2) 0.0320(10) Uani 1 1 d . . . . .
H23 H 0.999300 0.834517 -0.187523 0.038 Uiso 1 1 calc R U . . .
C24 C 0.8671(4) 0.9031(3) -0.1680(2) 0.0351(11) Uani 1 1 d . . . . .
H24 H 0.860096 0.921279 -0.218036 0.042 Uiso 1 1 calc R U . . .
C25 C 0.7945(4) 0.9278(2) -0.1133(2) 0.0331(10) Uani 1 1 d . . . . .
H25 H 0.736935 0.962468 -0.125640 0.040 Uiso 1 1 calc R U . . .
C26 C 0.8055(3) 0.9020(2) -0.0401(2) 0.0232(8) Uani 1 1 d . . . . .
H26 H 0.755551 0.919463 -0.002635 0.028 Uiso 1 1 calc R U . . .
C27 C 0.9817(3) 0.5027(2) 0.2028(2) 0.0203(8) Uani 1 1 d . . . . .
C28 C 1.0679(3) 0.4885(2) 0.1502(2) 0.0227(8) Uani 1 1 d . . . . .
H28 H 1.109944 0.527555 0.126524 0.027 Uiso 1 1 calc R U . . .
C29 C 1.0926(3) 0.4181(2) 0.1322(2) 0.0270(9) Uani 1 1 d . . . . .
H29 H 1.150736 0.409394 0.095861 0.032 Uiso 1 1 calc R U . . .
C30 C 1.0328(4) 0.3606(2) 0.1668(2) 0.0299(9) Uani 1 1 d . . . . .
H30 H 1.050010 0.312321 0.154564 0.036 Uiso 1 1 calc R U . . .
C31 C 0.9475(3) 0.3736(2) 0.2198(2) 0.0276(9) Uani 1 1 d . . . . .
H31 H 0.906378 0.334066 0.243746 0.033 Uiso 1 1 calc R U . . .
C32 C 0.9223(3) 0.4440(2) 0.2378(2) 0.0241(8) Uani 1 1 d . . . . .
H32 H 0.864090 0.452392 0.274161 0.029 Uiso 1 1 calc R U . . .
C33 C 0.8875(3) 0.6785(2) 0.5122(2) 0.0236(8) Uani 1 1 d . . . . .
C34 C 0.9353(4) 0.7144(2) 0.5547(2) 0.0313(9) Uani 1 1 d . . . . .
H34 H 0.980103 0.751849 0.531063 0.038 Uiso 1 1 calc R U . . .
C35 C 0.9181(4) 0.6961(3) 0.6305(2) 0.0366(11) Uani 1 1 d . . . . .
H35 H 0.950884 0.721084 0.658576 0.044 Uiso 1 1 calc R U . . .
C36 C 0.8531(4) 0.6413(2) 0.6660(2) 0.0331(10) Uani 1 1 d . . . . .
H36 H 0.841805 0.628294 0.718018 0.040 Uiso 1 1 calc R U . . .
C37 C 0.8051(3) 0.6059(2) 0.6246(2) 0.0321(10) Uani 1 1 d . . . . .
H37 H 0.760098 0.568770 0.648548 0.038 Uiso 1 1 calc R U . . .
C38 C 0.8216(3) 0.6239(2) 0.5485(2) 0.0256(8) Uani 1 1 d . . . . .
H38 H 0.787994 0.598945 0.520866 0.031 Uiso 1 1 calc R U . . .
C39 C 0.8709(3) 1.0293(2) 0.2759(2) 0.0241(8) Uani 1 1 d . . . . .
C40 C 0.9214(4) 1.0523(2) 0.3257(2) 0.0280(9) Uani 1 1 d . . . . .
H40 H 0.969624 1.018053 0.351187 0.034 Uiso 1 1 calc R U . . .
C41 C 0.9010(4) 1.1256(2) 0.3381(2) 0.0336(10) Uani 1 1 d . . . . .
H41 H 0.935172 1.141296 0.372136 0.040 Uiso 1 1 calc R U . . .
C42 C 0.8303(4) 1.1759(2) 0.3005(2) 0.0353(11) Uani 1 1 d . . . . .
H42 H 0.817072 1.225938 0.308602 0.042 Uiso 1 1 calc R U . . .
C43 C 0.7801(4) 1.1536(2) 0.2520(2) 0.0322(10) Uani 1 1 d . . . . .
H43 H 0.732264 1.188146 0.226560 0.039 Uiso 1 1 calc R U . . .
C44 C 0.7987(3) 1.0809(2) 0.2399(2) 0.0266(9) Uani 1 1 d . . . . .
H44 H 0.762218 1.065611 0.206927 0.032 Uiso 1 1 calc R U . . .
C45 C 0.6084(3) 0.60296(19) 0.3803(2) 0.0176(7) Uani 1 1 d . . . . .
C46 C 0.5803(3) 0.5802(2) 0.4580(2) 0.0209(8) Uani 1 1 d . . . . .
H46 H 0.576692 0.530216 0.483936 0.025 Uiso 1 1 calc R U . . .
C47 C 0.5600(3) 0.6422(2) 0.4873(2) 0.0215(8) Uani 1 1 d . . . . .
H47 H 0.538880 0.644314 0.537820 0.026 Uiso 1 1 calc R U . . .
C48 C 0.5761(3) 0.7049(2) 0.4283(2) 0.0195(7) Uani 1 1 d . . . . .
C49 C 0.5634(3) 0.7800(2) 0.4368(2) 0.0194(7) Uani 1 1 d . . . . .
C50 C 0.5693(3) 0.8411(2) 0.3787(2) 0.0197(7) Uani 1 1 d . . . . .
C51 C 0.5767(3) 0.9163(2) 0.3857(2) 0.0223(8) Uani 1 1 d . . . . .
H51 H 0.578138 0.933059 0.430033 0.027 Uiso 1 1 calc R U . . .
C52 C 0.5813(3) 0.9592(2) 0.3180(2) 0.0217(8) Uani 1 1 d . . . . .
H52 H 0.587872 1.011444 0.305797 0.026 Uiso 1 1 calc R U . . .
C53 C 0.5745(3) 0.9110(2) 0.2680(2) 0.0194(7) Uani 1 1 d . . . . .
C54 C 0.5705(3) 0.9339(2) 0.1928(2) 0.0189(7) Uani 1 1 d . . . . .
C55 C 0.5722(3) 0.8860(2) 0.1434(2) 0.0185(7) Uani 1 1 d . . . . .
C56 C 0.5467(3) 0.9093(2) 0.0704(2) 0.0221(8) Uani 1 1 d . . . . .
H56 H 0.527662 0.959166 0.047363 0.026 Uiso 1 1 calc R U . . .
C57 C 0.5546(3) 0.8477(2) 0.0406(2) 0.0230(8) Uani 1 1 d . . . . .
H57 H 0.541661 0.846146 -0.007096 0.028 Uiso 1 1 calc R U . . .
C58 C 0.5861(3) 0.7851(2) 0.0935(2) 0.0190(7) Uani 1 1 d . . . . .
C59 C 0.6080(3) 0.7100(2) 0.0826(2) 0.0191(7) Uani 1 1 d . . . . .
C60 C 0.6203(3) 0.6510(2) 0.1407(2) 0.0189(7) Uani 1 1 d . . . . .
C61 C 0.5883(3) 0.6514(2) 0.2189(2) 0.0182(7) Uani 1 1 d . . . . .
C62 C 0.6328(3) 0.57911(19) 0.2544(2) 0.0187(7) Uani 1 1 d . . . . .
C64 C 0.6331(3) 0.55368(19) 0.3297(2) 0.0185(7) Uani 1 1 d . . . . .
C65 C 0.5370(3) 0.7970(2) 0.5125(2) 0.0222(8) Uani 1 1 d . . . . .
C66 C 0.5998(3) 0.7673(2) 0.5664(2) 0.0250(8) Uani 1 1 d . . . . .
C67 C 0.5712(3) 0.7845(2) 0.6366(2) 0.0278(9) Uani 1 1 d . . . . .
H67 H 0.613521 0.764368 0.673537 0.033 Uiso 1 1 calc R U . . .
C68 C 0.4813(4) 0.8309(2) 0.6525(2) 0.0299(9) Uani 1 1 d . . . . .
H68 H 0.462117 0.842328 0.700357 0.036 Uiso 1 1 calc R U . . .
C69 C 0.4191(3) 0.8607(2) 0.5993(2) 0.0264(9) Uani 1 1 d . . . . .
H69 H 0.357786 0.892804 0.610434 0.032 Uiso 1 1 calc R U . . .
C70 C 0.4468(3) 0.8435(2) 0.5295(2) 0.0240(8) Uani 1 1 d . . . . .
H70 H 0.403794 0.863625 0.493037 0.029 Uiso 1 1 calc R U . . .
C71 C 0.5626(3) 1.0164(2) 0.1636(2) 0.0208(8) Uani 1 1 d . . . . .
C72 C 0.6384(3) 1.0479(2) 0.1086(2) 0.0261(8) Uani 1 1 d . . . . .
H72 H 0.692786 1.016567 0.086181 0.031 Uiso 1 1 calc R U . . .
C73 C 0.6350(4) 1.1253(2) 0.0863(3) 0.0344(10) Uani 1 1 d . . . . .
H73 H 0.687682 1.146535 0.049375 0.041 Uiso 1 1 calc R U . . .
C74 C 0.5554(4) 1.1709(2) 0.1177(3) 0.0367(11) Uani 1 1 d . . . . .
H74 H 0.553370 1.223640 0.102623 0.044 Uiso 1 1 calc R U . . .
C75 C 0.4789(4) 1.1401(2) 0.1710(2) 0.0350(11) Uani 1 1 d . . . . .
H75 H 0.423692 1.171867 0.192110 0.042 Uiso 1 1 calc R U . . .
C76 C 0.4815(3) 1.0633(2) 0.1940(2) 0.0259(9) Uani 1 1 d . . . . .
H76 H 0.428029 1.042525 0.230593 0.031 Uiso 1 1 calc R U . . .
C77 C 0.6223(3) 0.6946(2) 0.0066(2) 0.0229(8) Uani 1 1 d . . . . .
C78 C 0.6862(3) 0.7349(2) -0.0510(2) 0.0255(8) Uani 1 1 d . . . . .
H78 H 0.720522 0.774033 -0.042243 0.031 Uiso 1 1 calc R U . . .
C79 C 0.7002(3) 0.7183(3) -0.1215(2) 0.0317(10) Uani 1 1 d . . . . .
H79 H 0.744221 0.745930 -0.160390 0.038 Uiso 1 1 calc R U . . .
C80 C 0.6502(4) 0.6618(3) -0.1345(2) 0.0369(11) Uani 1 1 d . . . . .
H80 H 0.660225 0.650218 -0.182336 0.044 Uiso 1 1 calc R U . . .
C81 C 0.5857(4) 0.6220(3) -0.0781(3) 0.0396(12) Uani 1 1 d . . . . .
H81 H 0.550576 0.583641 -0.087648 0.048 Uiso 1 1 calc R U . . .
C82 C 0.5714(3) 0.6374(2) -0.0074(2) 0.0295(9) Uani 1 1 d . . . . .
H82 H 0.527476 0.609375 0.031178 0.035 Uiso 1 1 calc R U . . .
C83 C 0.6622(3) 0.4729(2) 0.3583(2) 0.0218(8) Uani 1 1 d . . . . .
C84 C 0.7304(3) 0.4511(2) 0.4097(2) 0.0254(8) Uani 1 1 d . . . . .
H84 H 0.759308 0.488273 0.426380 0.030 Uiso 1 1 calc R U . . .
C85 C 0.7567(4) 0.3759(2) 0.4370(2) 0.0325(10) Uani 1 1 d . . . . .
H85 H 0.802675 0.361999 0.472470 0.039 Uiso 1 1 calc R U . . .
C86 C 0.7156(4) 0.3214(2) 0.4123(2) 0.0335(10) Uani 1 1 d . . . . .
H86 H 0.733208 0.269995 0.431012 0.040 Uiso 1 1 calc R U . . .
C87 C 0.6487(4) 0.3417(2) 0.3602(2) 0.0311(10) Uani 1 1 d . . . . .
H87 H 0.621489 0.304285 0.342814 0.037 Uiso 1 1 calc R U . . .
C88 C 0.6218(3) 0.4172(2) 0.3336(2) 0.0263(9) Uani 1 1 d . . . . .
H88 H 0.575489 0.430917 0.298404 0.032 Uiso 1 1 calc R U . . .
N4 N 0.8385(3) 0.83172(19) 0.43985(19) 0.0255(8) Uani 0.755(4) 1 d . . P A 1
C19 C 0.8381(3) 0.8979(2) 0.39548(19) 0.0216(8) Uani 0.755(4) 1 d . . P A 1
H19 H 0.806202 0.943229 0.409928 0.026 Uiso 0.755(4) 1 calc R U P A 1
N104 N 0.8381(3) 0.8979(2) 0.39548(19) 0.0216(8) Uani 0.245(4) 1 d . . P A 2
C119 C 0.8385(3) 0.83172(19) 0.43985(19) 0.0255(8) Uani 0.245(4) 1 d . . P A 2
H119 H 0.806015 0.822451 0.489645 0.031 Uiso 0.245(4) 1 calc R U P A 2
N8 N 0.6751(3) 0.58236(18) 0.13244(19) 0.0214(7) Uani 0.659(4) 1 d . . P B 3
C63 C 0.6832(3) 0.54127(19) 0.1981(2) 0.0204(7) Uani 0.659(4) 1 d . . P B 3
H63 H 0.718577 0.492394 0.206153 0.024 Uiso 0.659(4) 1 calc R U P B 3
N108 N 0.6832(3) 0.54127(19) 0.1981(2) 0.0204(7) Uani 0.341(4) 1 d . . P B 4
C163 C 0.6751(3) 0.58236(18) 0.13244(19) 0.0214(7) Uani 0.341(4) 1 d . . P B 4
H163 H 0.702373 0.567261 0.086906 0.026 Uiso 0.341(4) 1 calc R U P B 4
Cl4 Cl 0.8633(4) 0.4215(4) 0.0421(3) 0.130(2) Uani 0.659(4) 1 d D U P B 3
Cl5 Cl 0.68593(16) 0.43200(11) -0.02746(11) 0.0445(6) Uani 0.659(4) 1 d D U P B
3
Cl6 Cl 0.67479(19) 0.37181(13) 0.12914(12) 0.0550(7) Uani 0.659(4) 1 d D U P B
3
C90 C 0.7279(5) 0.4395(4) 0.0527(4) 0.0353(16) Uani 0.659(4) 1 d D U P B 3
H90 H 0.706931 0.491077 0.063212 0.042 Uiso 0.659(4) 1 calc R U P B 3
Cl34 Cl 0.6548(6) 0.4424(4) 0.0406(6) 0.143(4) Uani 0.341(4) 1 d D U P B 4
Cl35 Cl 0.7650(9) 0.3097(4) 0.1272(4) 0.148(4) Uani 0.341(4) 1 d D U P B 4
Cl36 Cl 0.8638(4) 0.43271(19) 0.0425(3) 0.0190(9) Uani 0.341(4) 1 d D U P B 4
C190 C 0.7490(10) 0.4049(8) 0.0991(9) 0.056(4) Uani 0.341(4) 1 d D U P B 4
H190 H 0.735696 0.429900 0.142778 0.067 Uiso 0.341(4) 1 calc R U P B 4
Cl1 Cl 0.89842(14) 0.94878(12) 0.54458(11) 0.0512(6) Uani 0.755(4) 1 d D U P A
1
Cl2 Cl 0.77574(15) 0.87452(10) 0.67495(10) 0.0476(5) Uani 0.755(4) 1 d D U P A
1
Cl3 Cl 0.6724(2) 0.96998(15) 0.56092(14) 0.0446(5) Uani 0.755(4) 1 d D U P A 1
C89 C 0.7804(5) 0.9067(4) 0.5798(4) 0.0427(16) Uani 0.755(4) 1 d D U P A 1
H89 H 0.780348 0.862881 0.555789 0.051 Uiso 0.755(4) 1 calc R U P A 1
Cl31 Cl 0.8180(10) 1.0619(8) 0.5254(6) 0.144(5) Uani 0.245(4) 1 d D U P A 2
Cl32 Cl 0.8403(13) 0.9027(9) 0.6029(8) 0.175(6) Uani 0.245(4) 1 d D U P A 2
Cl33 Cl 0.6528(12) 0.9795(10) 0.5844(10) 0.149(7) Uani 0.245(4) 1 d D U P A 2
C189 C 0.7824(17) 0.9718(11) 0.5353(14) 0.113(10) Uani 0.245(4) 1 d D U P A 2
H189 H 0.786472 0.955084 0.487421 0.136 Uiso 0.245(4) 1 calc R U P A 2
Cl10 Cl 0.3131(2) 0.7646(2) 0.37531(19) 0.0653(8) Uani 0.697(7) 1 d D U P C 5
Cl11 Cl 0.1267(2) 0.85512(18) 0.42458(18) 0.0638(9) Uani 0.697(7) 1 d D U P C 5
Cl12 Cl 0.2648(5) 0.91051(18) 0.29319(19) 0.1091(18) Uani 0.697(7) 1 d D U P C
5
C92 C 0.2085(5) 0.8308(4) 0.3466(4) 0.0335(17) Uani 0.697(7) 1 d D U P C 5
H92 H 0.168127 0.809066 0.316880 0.040 Uiso 0.697(7) 1 calc R U P C 5
Cl40 Cl 0.3335(5) 0.8042(7) 0.3443(6) 0.087(3) Uani 0.303(7) 1 d D U P C 6
Cl41 Cl 0.1325(7) 0.8026(10) 0.4250(5) 0.130(5) Uani 0.303(7) 1 d D U P C 6
Cl42 Cl 0.1808(6) 0.9148(3) 0.2916(3) 0.066(2) Uani 0.303(7) 1 d D U P C 6
C192 C 0.1999(14) 0.8205(13) 0.3350(12) 0.111(11) Uani 0.303(7) 1 d D U P C 6
H192 H 0.181785 0.786392 0.304842 0.134 Uiso 0.303(7) 1 calc R U P C 6
Cl13 Cl 0.34318(12) 0.55271(9) 0.37749(8) 0.0600(4) Uani 1 1 d . . . . .
Cl14 Cl 0.18909(11) 0.63226(14) 0.29051(13) 0.1097(9) Uani 1 1 d . . . . .
Cl15 Cl 0.36423(19) 0.53955(11) 0.22581(10) 0.0890(7) Uani 1 1 d . . . . .
C93 C 0.3210(4) 0.5998(3) 0.2889(3) 0.0516(15) Uani 1 1 d . . . . .
H93 H 0.362763 0.643899 0.274440 0.062 Uiso 1 1 calc R U . . .
Cl7 Cl 1.18655(12) 0.73943(9) 0.06655(9) 0.0613(4) Uani 1 1 d . . . . .
Cl8 Cl 1.17286(12) 0.88786(8) 0.09812(9) 0.0615(4) Uani 1 1 d . . . . .
Cl9 Cl 1.32187(9) 0.77215(8) 0.15942(8) 0.0538(4) Uani 1 1 d . . . . .
C91 C 1.1970(3) 0.7918(3) 0.1328(3) 0.0407(12) Uani 1 1 d . . . . .
H91 H 1.143685 0.777649 0.176922 0.049 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 O1 2.019(2) . ?
Ru1 O3 1.796(2) . ?
Ru1 N1 2.076(3) . ?
Ru1 N2 2.075(3) . ?
Ru1 N3 2.076(3) . ?
Ru1 C17 2.124(4) . ?
Ru2 O2 1.991(2) . ?
Ru2 O3 1.800(2) . ?
Ru2 N5 2.077(3) . ?
Ru2 N6 2.077(3) . ?
Ru2 N7 2.078(3) . ?
Ru2 C61 2.115(3) . ?
O1 C17 1.359(5) . ?
O2 C61 1.369(4) . ?
N1 C1 1.391(4) . ?
N1 C4 1.369(4) . ?
N2 C6 1.376(5) . ?
N2 C9 1.379(4) . ?
N3 C11 1.386(4) . ?
N3 C14 1.379(5) . ?
N5 C45 1.367(4) . ?
N5 C48 1.388(5) . ?
N6 C50 1.378(5) . ?
N6 C53 1.370(4) . ?
N7 C55 1.374(4) . ?
N7 C58 1.389(5) . ?
C1 C2 1.427(5) . ?
C1 C20 1.409(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.346(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.443(5) . ?
C4 C5 1.405(5) . ?
C5 C6 1.400(5) . ?
C5 C21 1.494(5) . ?
C6 C7 1.442(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.347(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.435(5) . ?
C9 C10 1.401(5) . ?
C10 C11 1.402(5) . ?
C10 C27 1.490(5) . ?
C11 C12 1.444(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.346(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.435(5) . ?
C14 C15 1.400(5) . ?
C15 C16 1.397(5) . ?
C15 C33 1.486(5) . ?
C16 C17 1.464(5) . ?
C16 N4 1.397(5) . ?
C16 C119 1.397(5) . ?
C17 C18 1.459(5) . ?
C18 C20 1.387(5) . ?
C18 C19 1.408(5) . ?
C18 N104 1.408(5) . ?
C20 C39 1.492(5) . ?
C21 C22 1.394(5) . ?
C21 C26 1.397(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.379(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.400(5) . ?
C27 C32 1.395(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.384(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.381(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.391(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.400(6) . ?
C33 C38 1.398(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.384(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.380(7) . ?
C37 H37 0.9500 . ?
C37 C38 1.388(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.393(6) . ?
C39 C44 1.407(6) . ?
C40 H40 0.9500 . ?
C40 C41 1.396(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.397(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.364(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.381(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.432(5) . ?
C45 C64 1.413(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.340(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.437(5) . ?
C48 C49 1.403(5) . ?
C49 C50 1.398(5) . ?
C49 C65 1.491(5) . ?
C50 C51 1.429(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.351(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.439(5) . ?
C53 C54 1.401(5) . ?
C54 C55 1.398(5) . ?
C54 C71 1.498(5) . ?
C55 C56 1.439(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.345(5) . ?
C57 H57 0.9500 . ?
C57 C58 1.427(5) . ?
C58 C59 1.418(5) . ?
C59 C60 1.389(5) . ?
C59 C77 1.489(5) . ?
C60 C61 1.458(5) . ?
C60 N8 1.389(5) . ?
C60 C163 1.389(5) . ?
C61 C62 1.456(5) . ?
C62 C64 1.399(5) . ?
C62 C63 1.406(5) . ?
C62 N108 1.406(5) . ?
C64 C83 1.495(5) . ?
C65 C66 1.399(6) . ?
C65 C70 1.393(6) . ?
C66 C67 1.396(6) . ?
C67 H67 0.9500 . ?
C67 C68 1.385(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.382(6) . ?
C69 H69 0.9500 . ?
C69 C70 1.389(5) . ?
C70 H70 0.9500 . ?
C71 C72 1.392(6) . ?
C71 C76 1.394(5) . ?
C72 H72 0.9500 . ?
C72 C73 1.393(6) . ?
C73 H73 0.9500 . ?
C73 C74 1.375(7) . ?
C74 H74 0.9500 . ?
C74 C75 1.376(7) . ?
C75 H75 0.9500 . ?
C75 C76 1.387(6) . ?
C76 H76 0.9500 . ?
C77 C78 1.392(6) . ?
C77 C82 1.404(6) . ?
C78 H78 0.9500 . ?
C78 C79 1.397(6) . ?
C79 H79 0.9500 . ?
C79 C80 1.379(7) . ?
C80 H80 0.9500 . ?
C80 C81 1.380(7) . ?
C81 H81 0.9500 . ?
C81 C82 1.392(6) . ?
C82 H82 0.9500 . ?
C83 C84 1.395(6) . ?
C83 C88 1.400(5) . ?
C84 H84 0.9500 . ?
C84 C85 1.391(5) . ?
C85 H85 0.9500 . ?
C85 C86 1.388(6) . ?
C86 H86 0.9500 . ?
C86 C87 1.390(7) . ?
C87 H87 0.9500 . ?
C87 C88 1.395(5) . ?
C88 H88 0.9500 . ?
N4 C19 1.326(5) . ?
C19 H19 0.9500 . ?
N104 C119 1.326(5) . ?
C119 H119 0.9500 . ?
N8 C63 1.324(5) . ?
C63 H63 0.9500 . ?
N108 C163 1.324(5) . ?
C163 H163 0.9500 . ?
Cl4 C90 1.743(8) . ?
Cl5 C90 1.729(7) . ?
Cl6 C90 1.801(7) . ?
C90 H90 1.0000 . ?
Cl34 C190 1.775(14) . ?
Cl35 C190 1.716(13) . ?
Cl36 C190 1.753(14) . ?
C190 H190 1.0000 . ?
Cl1 C89 1.779(7) . ?
Cl2 C89 1.760(7) . ?
Cl3 C89 1.747(7) . ?
C89 H89 1.0000 . ?
Cl31 C189 1.741(18) . ?
Cl32 C189 1.798(18) . ?
Cl33 C189 1.786(19) . ?
C189 H189 1.0000 . ?
Cl10 C92 1.788(7) . ?
Cl11 C92 1.758(8) . ?
Cl12 C92 1.766(7) . ?
C92 H92 1.0000 . ?
Cl40 C192 1.769(19) . ?
Cl41 C192 1.755(19) . ?
Cl42 C192 1.763(19) . ?
C192 H192 1.0000 . ?
Cl13 C93 1.769(5) . ?
Cl14 C93 1.749(5) . ?
Cl15 C93 1.758(7) . ?
C93 H93 1.0000 . ?
Cl7 C91 1.755(6) . ?
Cl8 C91 1.758(5) . ?
Cl9 C91 1.763(5) . ?
C91 H91 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
O1 Ru1 N1 85.86(11) . . ?
O1 Ru1 N2 112.42(11) . . ?
O1 Ru1 N3 84.37(11) . . ?
O1 Ru1 C17 38.18(12) . . ?
O3 Ru1 O1 153.15(10) . . ?
O3 Ru1 N1 96.01(11) . . ?
O3 Ru1 N2 94.42(11) . . ?
O3 Ru1 N3 95.29(11) . . ?
O3 Ru1 C17 115.00(13) . . ?
N1 Ru1 N3 168.67(11) . . ?
N1 Ru1 C17 87.69(13) . . ?
N2 Ru1 N1 88.88(11) . . ?
N2 Ru1 N3 89.56(12) . . ?
N2 Ru1 C17 150.58(13) . . ?
N3 Ru1 C17 88.17(13) . . ?
O2 Ru2 N5 84.12(11) . . ?
O2 Ru2 N6 113.30(11) . . ?
O2 Ru2 N7 85.50(11) . . ?
O2 Ru2 C61 38.82(12) . . ?
O3 Ru2 O2 152.94(10) . . ?
O3 Ru2 N5 96.17(11) . . ?
O3 Ru2 N6 93.76(11) . . ?
O3 Ru2 N7 95.77(11) . . ?
O3 Ru2 C61 114.13(12) . . ?
N5 Ru2 N6 89.38(12) . . ?
N5 Ru2 N7 168.05(12) . . ?
N5 Ru2 C61 87.73(13) . . ?
N6 Ru2 N7 89.29(12) . . ?
N6 Ru2 C61 152.12(13) . . ?
N7 Ru2 C61 87.90(13) . . ?
C17 O1 Ru1 75.11(18) . . ?
C61 O2 Ru2 75.51(18) . . ?
Ru1 O3 Ru2 176.10(15) . . ?
C1 N1 Ru1 128.6(2) . . ?
C4 N1 Ru1 125.1(2) . . ?
C4 N1 C1 106.0(3) . . ?
C6 N2 Ru1 123.1(2) . . ?
C6 N2 C9 106.9(3) . . ?
C9 N2 Ru1 124.0(2) . . ?
C11 N3 Ru1 126.0(2) . . ?
C14 N3 Ru1 127.0(2) . . ?
C14 N3 C11 106.4(3) . . ?
C45 N5 Ru2 127.6(2) . . ?
C45 N5 C48 106.0(3) . . ?
C48 N5 Ru2 125.5(2) . . ?
C50 N6 Ru2 124.1(2) . . ?
C53 N6 Ru2 123.2(2) . . ?
C53 N6 C50 107.0(3) . . ?
C55 N7 Ru2 124.9(2) . . ?
C55 N7 C58 106.5(3) . . ?
C58 N7 Ru2 127.9(2) . . ?
N1 C1 C2 109.6(3) . . ?
N1 C1 C20 124.5(3) . . ?
C20 C1 C2 125.7(3) . . ?
C1 C2 H2 126.3 . . ?
C3 C2 C1 107.4(3) . . ?
C3 C2 H2 126.3 . . ?
C2 C3 H3 126.3 . . ?
C2 C3 C4 107.4(3) . . ?
C4 C3 H3 126.3 . . ?
N1 C4 C3 109.6(3) . . ?
N1 C4 C5 126.6(3) . . ?
C5 C4 C3 123.8(3) . . ?
C4 C5 C21 117.1(3) . . ?
C6 C5 C4 124.1(3) . . ?
C6 C5 C21 118.8(3) . . ?
N2 C6 C5 126.0(3) . . ?
N2 C6 C7 109.1(3) . . ?
C5 C6 C7 124.9(3) . . ?
C6 C7 H7 126.4 . . ?
C8 C7 C6 107.2(3) . . ?
C8 C7 H7 126.4 . . ?
C7 C8 H8 126.1 . . ?
C7 C8 C9 107.9(3) . . ?
C9 C8 H8 126.1 . . ?
N2 C9 C8 109.0(3) . . ?
N2 C9 C10 126.7(3) . . ?
C10 C9 C8 124.2(3) . . ?
C9 C10 C11 124.6(3) . . ?
C9 C10 C27 116.4(3) . . ?
C11 C10 C27 119.0(3) . . ?
N3 C11 C10 125.8(3) . . ?
N3 C11 C12 109.0(3) . . ?
C10 C11 C12 125.2(3) . . ?
C11 C12 H12 126.3 . . ?
C13 C12 C11 107.4(3) . . ?
C13 C12 H12 126.3 . . ?
C12 C13 H13 126.1 . . ?
C12 C13 C14 107.7(3) . . ?
C14 C13 H13 126.1 . . ?
N3 C14 C13 109.4(3) . . ?
N3 C14 C15 125.5(3) . . ?
C15 C14 C13 125.0(3) . . ?
C14 C15 C33 120.3(3) . . ?
C16 C15 C14 121.5(3) . . ?
C16 C15 C33 118.2(3) . . ?
C15 C16 C17 127.8(4) . . ?
N4 C16 C15 123.3(4) . . ?
N4 C16 C17 108.6(3) . . ?
C119 C16 C15 123.3(4) . . ?
C119 C16 C17 108.6(3) . . ?
O1 C17 Ru1 66.70(18) . . ?
O1 C17 C16 126.1(3) . . ?
O1 C17 C18 124.9(3) . . ?
C16 C17 Ru1 113.4(2) . . ?
C18 C17 Ru1 115.8(3) . . ?
C18 C17 C16 104.0(3) . . ?
C20 C18 C17 128.1(3) . . ?
C20 C18 C19 125.0(3) . . ?
C20 C18 N104 125.0(3) . . ?
C19 C18 C17 106.5(3) . . ?
N104 C18 C17 106.5(3) . . ?
C1 C20 C39 119.4(3) . . ?
C18 C20 C1 121.5(3) . . ?
C18 C20 C39 118.9(3) . . ?
C22 C21 C5 121.4(3) . . ?
C22 C21 C26 118.6(4) . . ?
C26 C21 C5 120.0(3) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(4) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0(4) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 H26 119.7 . . ?
C25 C26 C21 120.7(4) . . ?
C25 C26 H26 119.7 . . ?
C28 C27 C10 119.0(3) . . ?
C32 C27 C10 122.4(3) . . ?
C32 C27 C28 118.5(3) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 C27 120.7(4) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.8(4) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(4) . . ?
C32 C31 H31 119.9 . . ?
C27 C32 H32 119.7 . . ?
C31 C32 C27 120.5(4) . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C15 119.6(4) . . ?
C38 C33 C15 122.1(4) . . ?
C38 C33 C34 118.3(4) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 C33 120.8(4) . . ?
C35 C34 H34 119.6 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.4(4) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.4 . . ?
C37 C36 C35 119.2(4) . . ?
C37 C36 H36 120.4 . . ?
C36 C37 H37 119.5 . . ?
C36 C37 C38 121.0(4) . . ?
C38 C37 H37 119.5 . . ?
C33 C38 H38 119.8 . . ?
C37 C38 C33 120.3(4) . . ?
C37 C38 H38 119.8 . . ?
C40 C39 C20 119.9(4) . . ?
C40 C39 C44 118.7(4) . . ?
C44 C39 C20 121.3(4) . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 119.9(4) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.0(4) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.4(4) . . ?
C43 C42 H42 119.8 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.2(4) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 H44 119.6 . . ?
C43 C44 C39 120.8(4) . . ?
C43 C44 H44 119.6 . . ?
N5 C45 C46 110.0(3) . . ?
N5 C45 C64 125.3(3) . . ?
C64 C45 C46 124.7(3) . . ?
C45 C46 H46 126.3 . . ?
C47 C46 C45 107.5(3) . . ?
C47 C46 H46 126.3 . . ?
C46 C47 H47 126.3 . . ?
C46 C47 C48 107.4(3) . . ?
C48 C47 H47 126.3 . . ?
N5 C48 C47 109.1(3) . . ?
N5 C48 C49 126.2(3) . . ?
C49 C48 C47 124.7(3) . . ?
C48 C49 C65 118.7(3) . . ?
C50 C49 C48 124.4(3) . . ?
C50 C49 C65 116.8(3) . . ?
N6 C50 C49 126.1(3) . . ?
N6 C50 C51 108.9(3) . . ?
C49 C50 C51 125.0(3) . . ?
C50 C51 H51 126.1 . . ?
C52 C51 C50 107.8(3) . . ?
C52 C51 H51 126.1 . . ?
C51 C52 H52 126.5 . . ?
C51 C52 C53 107.0(3) . . ?
C53 C52 H52 126.5 . . ?
N6 C53 C52 109.2(3) . . ?
N6 C53 C54 125.2(3) . . ?
C54 C53 C52 125.6(3) . . ?
C53 C54 C71 117.0(3) . . ?
C55 C54 C53 125.2(3) . . ?
C55 C54 C71 117.9(3) . . ?
N7 C55 C54 126.1(3) . . ?
N7 C55 C56 109.1(3) . . ?
C54 C55 C56 124.7(3) . . ?
C55 C56 H56 126.3 . . ?
C57 C56 C55 107.4(3) . . ?
C57 C56 H56 126.3 . . ?
C56 C57 H57 126.1 . . ?
C56 C57 C58 107.9(3) . . ?
C58 C57 H57 126.1 . . ?
N7 C58 C57 109.0(3) . . ?
N7 C58 C59 125.1(3) . . ?
C59 C58 C57 125.8(3) . . ?
C58 C59 C77 119.1(3) . . ?
C60 C59 C58 121.5(3) . . ?
C60 C59 C77 119.4(3) . . ?
C59 C60 C61 127.5(3) . . ?
C59 C60 N8 123.6(3) . . ?
C59 C60 C163 123.6(3) . . ?
N8 C60 C61 108.6(3) . . ?
C163 C60 C61 108.6(3) . . ?
O2 C61 Ru2 65.68(17) . . ?
O2 C61 C60 124.0(3) . . ?
O2 C61 C62 125.4(3) . . ?
C60 C61 Ru2 117.3(2) . . ?
C62 C61 Ru2 115.9(2) . . ?
C62 C61 C60 104.0(3) . . ?
C64 C62 C61 127.3(3) . . ?
C64 C62 C63 125.9(3) . . ?
C64 C62 N108 125.9(3) . . ?
C63 C62 C61 106.7(3) . . ?
N108 C62 C61 106.7(3) . . ?
C45 C64 C83 118.2(3) . . ?
C62 C64 C45 121.7(3) . . ?
C62 C64 C83 120.1(3) . . ?
C66 C65 C49 121.9(4) . . ?
C70 C65 C49 118.7(4) . . ?
C70 C65 C66 119.4(4) . . ?
C67 C66 C65 119.6(4) . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.1(4) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 119.7 . . ?
C69 C68 C67 120.6(4) . . ?
C69 C68 H68 119.7 . . ?
C68 C69 H69 120.2 . . ?
C68 C69 C70 119.6(4) . . ?
C70 C69 H69 120.2 . . ?
C65 C70 H70 119.7 . . ?
C69 C70 C65 120.6(4) . . ?
C69 C70 H70 119.7 . . ?
C72 C71 C54 120.9(3) . . ?
C72 C71 C76 118.9(4) . . ?
C76 C71 C54 120.1(4) . . ?
C71 C72 H72 119.8 . . ?
C71 C72 C73 120.4(4) . . ?
C73 C72 H72 119.8 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0(4) . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0(4) . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 119.7 . . ?
C74 C75 C76 120.6(4) . . ?
C76 C75 H75 119.7 . . ?
C71 C76 H76 120.0 . . ?
C75 C76 C71 120.0(4) . . ?
C75 C76 H76 120.0 . . ?
C78 C77 C59 121.6(3) . . ?
C78 C77 C82 119.0(4) . . ?
C82 C77 C59 119.4(4) . . ?
C77 C78 H78 119.7 . . ?
C77 C78 C79 120.6(4) . . ?
C79 C78 H78 119.7 . . ?
C78 C79 H79 120.0 . . ?
C80 C79 C78 119.9(4) . . ?
C80 C79 H79 120.0 . . ?
C79 C80 H80 119.9 . . ?
C79 C80 C81 120.1(4) . . ?
C81 C80 H80 119.9 . . ?
C80 C81 H81 119.7 . . ?
C80 C81 C82 120.7(4) . . ?
C82 C81 H81 119.7 . . ?
C77 C82 H82 120.1 . . ?
C81 C82 C77 119.7(4) . . ?
C81 C82 H82 120.1 . . ?
C84 C83 C64 121.0(3) . . ?
C84 C83 C88 118.5(4) . . ?
C88 C83 C64 120.5(4) . . ?
C83 C84 H84 119.4 . . ?
C85 C84 C83 121.1(4) . . ?
C85 C84 H84 119.4 . . ?
C84 C85 H85 120.2 . . ?
C86 C85 C84 119.7(4) . . ?
C86 C85 H85 120.2 . . ?
C85 C86 H86 119.9 . . ?
C85 C86 C87 120.2(4) . . ?
C87 C86 H86 119.9 . . ?
C86 C87 H87 120.1 . . ?
C86 C87 C88 119.8(4) . . ?
C88 C87 H87 120.1 . . ?
C83 C88 H88 119.7 . . ?
C87 C88 C83 120.6(4) . . ?
C87 C88 H88 119.7 . . ?
C19 N4 C16 108.8(3) . . ?
C18 C19 H19 124.0 . . ?
N4 C19 C18 112.0(3) . . ?
N4 C19 H19 124.0 . . ?
C119 N104 C18 112.0(3) . . ?
C16 C119 H119 125.6 . . ?
N104 C119 C16 108.8(3) . . ?
N104 C119 H119 125.6 . . ?
C63 N8 C60 109.2(3) . . ?
C62 C63 H63 124.3 . . ?
N8 C63 C62 111.4(3) . . ?
N8 C63 H63 124.3 . . ?
C163 N108 C62 111.4(3) . . ?
C60 C163 H163 125.4 . . ?
N108 C163 C60 109.2(3) . . ?
N108 C163 H163 125.4 . . ?
Cl4 C90 Cl6 107.4(5) . . ?
Cl4 C90 H90 109.7 . . ?
Cl5 C90 Cl4 108.9(4) . . ?
Cl5 C90 Cl6 111.3(4) . . ?
Cl5 C90 H90 109.7 . . ?
Cl6 C90 H90 109.7 . . ?
Cl34 C190 H190 109.7 . . ?
Cl35 C190 Cl34 118.1(10) . . ?
Cl35 C190 Cl36 108.1(8) . . ?
Cl35 C190 H190 109.7 . . ?
Cl36 C190 Cl34 101.1(8) . . ?
Cl36 C190 H190 109.7 . . ?
Cl1 C89 H89 108.6 . . ?
Cl2 C89 Cl1 108.9(4) . . ?
Cl2 C89 H89 108.6 . . ?
Cl3 C89 Cl1 110.8(4) . . ?
Cl3 C89 Cl2 111.2(4) . . ?
Cl3 C89 H89 108.6 . . ?
Cl31 C189 Cl32 115.3(16) . . ?
Cl31 C189 Cl33 102.1(13) . . ?
Cl31 C189 H189 113.3 . . ?
Cl32 C189 H189 113.3 . . ?
Cl33 C189 Cl32 98.1(13) . . ?
Cl33 C189 H189 113.3 . . ?
Cl10 C92 H92 110.3 . . ?
Cl11 C92 Cl10 109.1(4) . . ?
Cl11 C92 Cl12 109.8(4) . . ?
Cl11 C92 H92 110.3 . . ?
Cl12 C92 Cl10 107.1(4) . . ?
Cl12 C92 H92 110.3 . . ?
Cl40 C192 H192 110.9 . . ?
Cl41 C192 Cl40 105.1(12) . . ?
Cl41 C192 Cl42 113.2(14) . . ?
Cl41 C192 H192 110.9 . . ?
Cl42 C192 Cl40 105.6(12) . . ?
Cl42 C192 H192 110.9 . . ?
Cl13 C93 H93 108.4 . . ?
Cl14 C93 Cl13 109.9(3) . . ?
Cl14 C93 Cl15 112.3(3) . . ?
Cl14 C93 H93 108.4 . . ?
Cl15 C93 Cl13 109.3(3) . . ?
Cl15 C93 H93 108.4 . . ?
Cl7 C91 Cl8 110.1(3) . . ?
Cl7 C91 Cl9 110.3(3) . . ?
Cl7 C91 H91 108.7 . . ?
Cl8 C91 Cl9 110.3(3) . . ?
Cl8 C91 H91 108.7 . . ?
Cl9 C91 H91 108.7 . . ?

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 O1 C17 C16 102.8(3) . . . . ?
Ru1 O1 C17 C18 -106.1(4) . . . . ?
Ru1 N1 C1 C2 172.8(2) . . . . ?
Ru1 N1 C1 C20 -11.5(5) . . . . ?
Ru1 N1 C4 C3 -174.3(2) . . . . ?
Ru1 N1 C4 C5 3.1(5) . . . . ?
Ru1 N2 C6 C5 27.0(5) . . . . ?
Ru1 N2 C6 C7 -153.5(2) . . . . ?
Ru1 N2 C9 C8 153.8(2) . . . . ?
Ru1 N2 C9 C10 -23.3(5) . . . . ?
Ru1 N3 C11 C10 -6.5(5) . . . . ?
Ru1 N3 C11 C12 173.0(2) . . . . ?
Ru1 N3 C14 C13 -173.0(2) . . . . ?
Ru1 N3 C14 C15 7.1(5) . . . . ?
Ru1 C17 C18 C20 -45.6(5) . . . . ?
Ru1 C17 C18 C19 126.9(3) . . . . ?
Ru1 C17 C18 N104 126.9(3) . . . . ?
Ru2 O2 C61 C60 -107.6(3) . . . . ?
Ru2 O2 C61 C62 105.5(3) . . . . ?
Ru2 N5 C45 C46 -170.2(2) . . . . ?
Ru2 N5 C45 C64 8.5(5) . . . . ?
Ru2 N5 C48 C47 170.2(2) . . . . ?
Ru2 N5 C48 C49 -9.7(5) . . . . ?
Ru2 N6 C50 C49 -26.3(5) . . . . ?
Ru2 N6 C50 C51 154.1(3) . . . . ?
Ru2 N6 C53 C52 -153.7(3) . . . . ?
Ru2 N6 C53 C54 28.9(5) . . . . ?
Ru2 N7 C55 C54 8.1(5) . . . . ?
Ru2 N7 C55 C56 -170.7(2) . . . . ?
Ru2 N7 C58 C57 170.0(2) . . . . ?
Ru2 N7 C58 C59 -12.5(5) . . . . ?
Ru2 C61 C62 C64 43.5(5) . . . . ?
Ru2 C61 C62 C63 -132.0(3) . . . . ?
Ru2 C61 C62 N108 -132.0(3) . . . . ?
O1 C17 C18 C20 33.0(6) . . . . ?
O1 C17 C18 C19 -154.6(3) . . . . ?
O1 C17 C18 N104 -154.6(3) . . . . ?
O2 C61 C62 C64 -34.0(6) . . . . ?
O2 C61 C62 C63 150.5(3) . . . . ?
O2 C61 C62 N108 150.5(3) . . . . ?
N1 C1 C2 C3 2.1(4) . . . . ?
N1 C1 C20 C18 12.7(6) . . . . ?
N1 C1 C20 C39 -162.9(3) . . . . ?
N1 C4 C5 C6 -11.8(6) . . . . ?
N1 C4 C5 C21 170.0(3) . . . . ?
N2 C6 C7 C8 -0.5(4) . . . . ?
N2 C9 C10 C11 11.3(6) . . . . ?
N2 C9 C10 C27 -166.9(3) . . . . ?
N3 C11 C12 C13 -0.5(4) . . . . ?
N3 C14 C15 C16 -13.7(6) . . . . ?
N3 C14 C15 C33 164.2(3) . . . . ?
N5 C45 C46 C47 0.4(4) . . . . ?
N5 C45 C64 C62 -15.8(6) . . . . ?
N5 C45 C64 C83 162.8(3) . . . . ?
N5 C48 C49 C50 6.4(6) . . . . ?
N5 C48 C49 C65 -176.5(4) . . . . ?
N6 C50 C51 C52 -0.8(4) . . . . ?
N6 C53 C54 C55 -8.3(6) . . . . ?
N6 C53 C54 C71 171.0(3) . . . . ?
N7 C55 C56 C57 0.3(4) . . . . ?
N7 C58 C59 C60 14.3(6) . . . . ?
N7 C58 C59 C77 -163.3(3) . . . . ?
C1 N1 C4 C3 0.1(4) . . . . ?
C1 N1 C4 C5 177.5(3) . . . . ?
C1 C2 C3 C4 -1.9(4) . . . . ?
C1 C20 C39 C40 -138.5(4) . . . . ?
C1 C20 C39 C44 43.9(5) . . . . ?
C2 C1 C20 C18 -172.4(4) . . . . ?
C2 C1 C20 C39 12.0(6) . . . . ?
C2 C3 C4 N1 1.2(4) . . . . ?
C2 C3 C4 C5 -176.3(3) . . . . ?
C3 C4 C5 C6 165.2(3) . . . . ?
C3 C4 C5 C21 -13.0(5) . . . . ?
C4 N1 C1 C2 -1.3(4) . . . . ?
C4 N1 C1 C20 174.3(3) . . . . ?
C4 C5 C6 N2 -4.8(6) . . . . ?
C4 C5 C6 C7 175.8(3) . . . . ?
C4 C5 C21 C22 125.3(4) . . . . ?
C4 C5 C21 C26 -54.4(5) . . . . ?
C5 C6 C7 C8 178.9(3) . . . . ?
C5 C21 C22 C23 -179.8(3) . . . . ?
C5 C21 C26 C25 179.8(4) . . . . ?
C6 N2 C9 C8 0.7(4) . . . . ?
C6 N2 C9 C10 -176.5(3) . . . . ?
C6 C5 C21 C22 -53.0(5) . . . . ?
C6 C5 C21 C26 127.3(4) . . . . ?
C6 C7 C8 C9 0.9(4) . . . . ?
C7 C8 C9 N2 -1.1(4) . . . . ?
C7 C8 C9 C10 176.2(3) . . . . ?
C8 C9 C10 C11 -165.5(3) . . . . ?
C8 C9 C10 C27 16.4(5) . . . . ?
C9 N2 C6 C5 -179.5(3) . . . . ?
C9 N2 C6 C7 -0.1(4) . . . . ?
C9 C10 C11 N3 5.1(6) . . . . ?
C9 C10 C11 C12 -174.3(4) . . . . ?
C9 C10 C27 C28 54.6(5) . . . . ?
C9 C10 C27 C32 -123.0(4) . . . . ?
C10 C11 C12 C13 179.0(4) . . . . ?
C10 C27 C28 C29 -176.5(4) . . . . ?
C10 C27 C32 C31 176.6(4) . . . . ?
C11 N3 C14 C13 -1.1(4) . . . . ?
C11 N3 C14 C15 178.9(4) . . . . ?
C11 C10 C27 C28 -123.7(4) . . . . ?
C11 C10 C27 C32 58.7(5) . . . . ?
C11 C12 C13 C14 -0.2(4) . . . . ?
C12 C13 C14 N3 0.8(4) . . . . ?
C12 C13 C14 C15 -179.2(4) . . . . ?
C13 C14 C15 C16 166.4(4) . . . . ?
C13 C14 C15 C33 -15.7(6) . . . . ?
C14 N3 C11 C10 -178.5(3) . . . . ?
C14 N3 C11 C12 1.0(4) . . . . ?
C14 C15 C16 C17 -18.5(6) . . . . ?
C14 C15 C16 N4 156.1(4) . . . . ?
C14 C15 C16 C119 156.1(4) . . . . ?
C14 C15 C33 C34 135.7(4) . . . . ?
C14 C15 C33 C38 -47.3(5) . . . . ?
C15 C16 C17 Ru1 47.7(5) . . . . ?
C15 C16 C17 O1 -29.8(6) . . . . ?
C15 C16 C17 C18 174.4(4) . . . . ?
C15 C16 N4 C19 -175.9(4) . . . . ?
C15 C16 C119 N104 -175.9(4) . . . . ?
C15 C33 C34 C35 177.5(4) . . . . ?
C15 C33 C38 C37 -177.5(4) . . . . ?
C16 C15 C33 C34 -46.4(5) . . . . ?
C16 C15 C33 C38 130.6(4) . . . . ?
C16 C17 C18 C20 -170.8(4) . . . . ?
C16 C17 C18 C19 1.7(4) . . . . ?
C16 C17 C18 N104 1.7(4) . . . . ?
C16 N4 C19 C18 1.6(5) . . . . ?
C17 C16 N4 C19 -0.4(4) . . . . ?
C17 C16 C119 N104 -0.4(4) . . . . ?
C17 C18 C20 C1 19.8(6) . . . . ?
C17 C18 C20 C39 -164.5(4) . . . . ?
C17 C18 C19 N4 -2.1(4) . . . . ?
C17 C18 N104 C119 -2.1(4) . . . . ?
C18 C20 C39 C40 45.7(5) . . . . ?
C18 C20 C39 C44 -131.8(4) . . . . ?
C18 N104 C119 C16 1.6(5) . . . . ?
C20 C1 C2 C3 -173.5(4) . . . . ?
C20 C18 C19 N4 170.7(4) . . . . ?
C20 C18 N104 C119 170.7(4) . . . . ?
C20 C39 C40 C41 -178.6(4) . . . . ?
C20 C39 C44 C43 179.4(4) . . . . ?
C21 C5 C6 N2 173.4(3) . . . . ?
C21 C5 C6 C7 -6.0(5) . . . . ?
C21 C22 C23 C24 0.5(6) . . . . ?
C22 C21 C26 C25 0.1(6) . . . . ?
C22 C23 C24 C25 -0.9(7) . . . . ?
C23 C24 C25 C26 0.9(7) . . . . ?
C24 C25 C26 C21 -0.5(6) . . . . ?
C26 C21 C22 C23 -0.1(6) . . . . ?
C27 C10 C11 N3 -176.8(3) . . . . ?
C27 C10 C11 C12 3.8(5) . . . . ?
C27 C28 C29 C30 -0.9(6) . . . . ?
C28 C27 C32 C31 -0.9(6) . . . . ?
C28 C29 C30 C31 0.2(6) . . . . ?
C29 C30 C31 C32 0.1(6) . . . . ?
C30 C31 C32 C27 0.3(6) . . . . ?
C32 C27 C28 C29 1.2(6) . . . . ?
C33 C15 C16 C17 163.6(4) . . . . ?
C33 C15 C16 N4 -21.8(6) . . . . ?
C33 C15 C16 C119 -21.8(6) . . . . ?
C33 C34 C35 C36 0.2(7) . . . . ?
C34 C33 C38 C37 -0.4(6) . . . . ?
C34 C35 C36 C37 -0.7(7) . . . . ?
C35 C36 C37 C38 0.6(7) . . . . ?
C36 C37 C38 C33 0.0(6) . . . . ?
C38 C33 C34 C35 0.3(6) . . . . ?
C39 C40 C41 C42 -0.2(6) . . . . ?
C40 C39 C44 C43 1.8(6) . . . . ?
C40 C41 C42 C43 0.6(6) . . . . ?
C41 C42 C43 C44 0.1(6) . . . . ?
C42 C43 C44 C39 -1.4(6) . . . . ?
C44 C39 C40 C41 -1.0(6) . . . . ?
C45 N5 C48 C47 -0.3(4) . . . . ?
C45 N5 C48 C49 179.8(4) . . . . ?
C45 C46 C47 C48 -0.5(4) . . . . ?
C45 C64 C83 C84 -43.9(5) . . . . ?
C45 C64 C83 C88 136.3(4) . . . . ?
C46 C45 C64 C62 162.7(4) . . . . ?
C46 C45 C64 C83 -18.6(5) . . . . ?
C46 C47 C48 N5 0.5(4) . . . . ?
C46 C47 C48 C49 -179.6(4) . . . . ?
C47 C48 C49 C50 -173.5(4) . . . . ?
C47 C48 C49 C65 3.6(6) . . . . ?
C48 N5 C45 C46 0.0(4) . . . . ?
C48 N5 C45 C64 178.7(3) . . . . ?
C48 C49 C50 N6 13.3(6) . . . . ?
C48 C49 C50 C51 -167.2(4) . . . . ?
C48 C49 C65 C66 56.7(5) . . . . ?
C48 C49 C65 C70 -122.8(4) . . . . ?
C49 C50 C51 C52 179.7(4) . . . . ?
C49 C65 C66 C67 -179.4(4) . . . . ?
C49 C65 C70 C69 179.8(3) . . . . ?
C50 N6 C53 C52 0.8(4) . . . . ?
C50 N6 C53 C54 -176.7(4) . . . . ?
C50 C49 C65 C66 -126.0(4) . . . . ?
C50 C49 C65 C70 54.5(5) . . . . ?
C50 C51 C52 C53 1.2(4) . . . . ?
C51 C52 C53 N6 -1.3(4) . . . . ?
C51 C52 C53 C54 176.2(4) . . . . ?
C52 C53 C54 C55 174.6(4) . . . . ?
C52 C53 C54 C71 -6.0(6) . . . . ?
C53 N6 C50 C49 179.5(4) . . . . ?
C53 N6 C50 C51 0.0(4) . . . . ?
C53 C54 C55 N7 -12.1(6) . . . . ?
C53 C54 C55 C56 166.5(4) . . . . ?
C53 C54 C71 C72 120.7(4) . . . . ?
C53 C54 C71 C76 -56.0(5) . . . . ?
C54 C55 C56 C57 -178.5(4) . . . . ?
C54 C71 C72 C73 -174.5(4) . . . . ?
C54 C71 C76 C75 174.9(4) . . . . ?
C55 N7 C58 C57 -0.5(4) . . . . ?
C55 N7 C58 C59 177.1(3) . . . . ?
C55 C54 C71 C72 -60.0(5) . . . . ?
C55 C54 C71 C76 123.4(4) . . . . ?
C55 C56 C57 C58 -0.6(4) . . . . ?
C56 C57 C58 N7 0.7(4) . . . . ?
C56 C57 C58 C59 -176.8(4) . . . . ?
C57 C58 C59 C60 -168.6(4) . . . . ?
C57 C58 C59 C77 13.8(6) . . . . ?
C58 N7 C55 C54 178.9(4) . . . . ?
C58 N7 C55 C56 0.1(4) . . . . ?
C58 C59 C60 C61 16.9(6) . . . . ?
C58 C59 C60 N8 -157.1(4) . . . . ?
C58 C59 C60 C163 -157.1(4) . . . . ?
C58 C59 C77 C78 47.6(5) . . . . ?
C58 C59 C77 C82 -133.4(4) . . . . ?
C59 C60 C61 Ru2 -43.0(5) . . . . ?
C59 C60 C61 O2 34.9(6) . . . . ?
C59 C60 C61 C62 -172.4(4) . . . . ?
C59 C60 N8 C63 172.8(3) . . . . ?
C59 C60 C163 N108 172.8(3) . . . . ?
C59 C77 C78 C79 178.5(4) . . . . ?
C59 C77 C82 C81 -179.0(4) . . . . ?
C60 C59 C77 C78 -130.1(4) . . . . ?
C60 C59 C77 C82 49.0(5) . . . . ?
C60 C61 C62 C64 173.8(3) . . . . ?
C60 C61 C62 C63 -1.7(4) . . . . ?
C60 C61 C62 N108 -1.7(4) . . . . ?
C60 N8 C63 C62 1.1(4) . . . . ?
C61 C60 N8 C63 -2.2(4) . . . . ?
C61 C60 C163 N108 -2.2(4) . . . . ?
C61 C62 C64 C45 -14.0(6) . . . . ?
C61 C62 C64 C83 167.4(3) . . . . ?
C61 C62 C63 N8 0.4(4) . . . . ?
C61 C62 N108 C163 0.4(4) . . . . ?
C62 C64 C83 C84 134.7(4) . . . . ?
C62 C64 C83 C88 -45.1(5) . . . . ?
C62 N108 C163 C60 1.1(4) . . . . ?
C64 C45 C46 C47 -178.4(4) . . . . ?
C64 C62 C63 N8 -175.1(3) . . . . ?
C64 C62 N108 C163 -175.1(3) . . . . ?
C64 C83 C84 C85 179.3(4) . . . . ?
C64 C83 C88 C87 -179.9(4) . . . . ?
C65 C49 C50 N6 -163.9(4) . . . . ?
C65 C49 C50 C51 15.6(6) . . . . ?
C65 C66 C67 C68 -0.2(6) . . . . ?
C66 C65 C70 C69 0.3(6) . . . . ?
C66 C67 C68 C69 -0.1(6) . . . . ?
C67 C68 C69 C70 0.5(6) . . . . ?
C68 C69 C70 C65 -0.6(6) . . . . ?
C70 C65 C66 C67 0.1(6) . . . . ?
C71 C54 C55 N7 168.6(3) . . . . ?
C71 C54 C55 C56 -12.8(6) . . . . ?
C71 C72 C73 C74 -1.1(6) . . . . ?
C72 C71 C76 C75 -1.8(6) . . . . ?
C72 C73 C74 C75 -0.3(6) . . . . ?
C73 C74 C75 C76 0.6(7) . . . . ?
C74 C75 C76 C71 0.4(6) . . . . ?
C76 C71 C72 C73 2.2(6) . . . . ?
C77 C59 C60 C61 -165.5(3) . . . . ?
C77 C59 C60 N8 20.4(5) . . . . ?
C77 C59 C60 C163 20.4(5) . . . . ?
C77 C78 C79 C80 0.3(6) . . . . ?
C78 C77 C82 C81 0.0(6) . . . . ?
C78 C79 C80 C81 0.5(6) . . . . ?
C79 C80 C81 C82 -1.0(7) . . . . ?
C80 C81 C82 C77 0.7(7) . . . . ?
C82 C77 C78 C79 -0.5(6) . . . . ?
C83 C84 C85 C86 0.7(6) . . . . ?
C84 C83 C88 C87 0.3(6) . . . . ?
C84 C85 C86 C87 0.3(7) . . . . ?
C85 C86 C87 C88 -0.9(6) . . . . ?
C86 C87 C88 C83 0.7(6) . . . . ?
C88 C83 C84 C85 -1.0(6) . . . . ?
N4 C16 C17 Ru1 -127.5(3) . . . . ?
N4 C16 C17 O1 155.0(3) . . . . ?
N4 C16 C17 C18 -0.8(4) . . . . ?
C19 C18 C20 C1 -151.3(4) . . . . ?
C19 C18 C20 C39 24.3(6) . . . . ?
N104 C18 C20 C1 -151.3(4) . . . . ?
N104 C18 C20 C39 24.3(6) . . . . ?
C119 C16 C17 Ru1 -127.5(3) . . . . ?
C119 C16 C17 O1 155.0(3) . . . . ?
C119 C16 C17 C18 -0.8(4) . . . . ?
N8 C60 C61 Ru2 131.8(3) . . . . ?
N8 C60 C61 O2 -150.3(3) . . . . ?
N8 C60 C61 C62 2.4(4) . . . . ?
C63 C62 C64 C45 160.6(3) . . . . ?
C63 C62 C64 C83 -18.0(6) . . . . ?
N108 C62 C64 C45 160.6(3) . . . . ?
N108 C62 C64 C83 -18.0(6) . . . . ?
C163 C60 C61 Ru2 131.8(3) . . . . ?
C163 C60 C61 O2 -150.3(3) . . . . ?
C163 C60 C61 C62 2.4(4) . . . . ?

_olex2_exptl_crystal_mounting_method loop
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.109
_oxdiff_exptl_absorpt_empirical_full_min 0.916
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CHCl3/hexane'
