# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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 
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data_1clo4
_database_code_depnum_ccdc_archive 'CCDC 1517486'
_audit_update_record             
;
2016-11-15 deposited with the CCDC.
2017-04-03 downloaded from the CCDC.
;
_audit_creation_date             2016-11-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C36 H25 N6 O2 Ru), 2(Cl O4), C7 H8, 0.5(C2 H3 N)'
_chemical_formula_sum            'C80 H59.50 Cl2 N12.50 O12 Ru2'
_chemical_formula_weight         1660.94
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   13.9550(2)
_cell_length_b                   14.6279(3)
_cell_length_c                   18.8595(4)
_cell_angle_alpha                104.432(2)
_cell_angle_beta                 92.932(2)
_cell_angle_gamma                109.944(2)
_cell_volume                     3465.32(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    29445
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.1840
_cell_measurement_theta_min      2.3270
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.26889
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1690
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_unetI/netI     0.0384
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            53330
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.156
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10366
_reflns_number_total             12182
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     993
_refine_ls_number_reflns         12182
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0356
_refine_ls_restrained_S_all      0.990
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0456P)²+4.3562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0954
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C81(0.5) N13(0.5) C80(0.5) H80A(0.5) H80B(0.5) H80C(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 N1(H1), N8(H8), C35(H35), C54(H54), C29(H29), C26(H26), C48(H48), C72(H72),
 C5(H5), C34(H34), C63(H63), C17(H17), C24(H24), C65(H65), C69(H69), C20(H20),
 C60(H60), C55(H55), C23(H23), C30(H30), C61(H61), C13(H13), C33(H33), C66(H66),
  C15(H15), C56(H56), C12(H12), C4(H4), C59(H59), C3(H3), C70(H70), C14(H14),
 C28(H28), C19(H19), C49(H49), C40(H40), C38(H38), C39(H39), C36(H36), C51(H51),
  C50(H50), C27(H27), C18(H18), C25(H25), C71(H71), C2(H2), C73(H73), C41(H41),
 C53(H53), C64(H64), C77(H77), C76(H76), C62(H62), C74(H74), C75(H75)
3.b Idealised Me refined as rotating group:
 C79(H79A,H79B,H79C), C80(H80A,H80B,H80C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.35123(2) 0.18363(2) 0.30233(2) 0.01413(7) Uani 1 1 d . . . . .
Ru2 Ru 0.66450(2) 0.82384(2) 0.20035(2) 0.01454(7) Uani 1 1 d . . . . .
Cl2 Cl 0.17181(5) -0.10524(6) 0.00348(4) 0.02595(16) Uani 1 1 d . . . . .
Cl1 Cl 0.83539(6) 1.09766(6) 0.50496(4) 0.02889(17) Uani 1 1 d . . . . .
O4 O 0.52119(13) 0.78359(13) 0.13647(10) 0.0175(4) Uani 1 1 d . . . . .
O1 O 0.48955(13) 0.21824(14) 0.37040(10) 0.0180(4) Uani 1 1 d . . . . .
O7 O 0.73025(17) 1.08377(19) 0.51222(12) 0.0390(6) Uani 1 1 d . . . . .
O3 O 0.49540(16) 0.41099(15) 0.11892(12) 0.0293(5) Uani 1 1 d . . . . .
N2 N 0.38268(16) 0.33726(17) 0.30942(12) 0.0166(5) Uani 1 1 d . . . . .
O10 O 0.15967(18) -0.11410(17) 0.07704(12) 0.0364(5) Uani 1 1 d . . . . .
O2 O 0.52769(16) 0.59658(15) 0.39494(11) 0.0290(5) Uani 1 1 d . . . . .
N11 N 0.81287(17) 0.87443(17) 0.24923(12) 0.0182(5) Uani 1 1 d . . . . .
N4 N 0.20572(17) 0.13794(16) 0.24852(12) 0.0167(5) Uani 1 1 d . . . . .
N5 N 0.33619(16) 0.03456(17) 0.28900(12) 0.0165(5) Uani 1 1 d . . . . .
N1 N 0.60586(18) 0.48055(18) 0.45919(13) 0.0241(5) Uani 1 1 d . . . . .
H1 H 0.6133 0.5433 0.4671 0.029 Uiso 1 1 calc R . . . .
N8 N 0.41127(18) 0.51913(18) 0.05362(13) 0.0240(5) Uani 1 1 d . . . . .
H8 H 0.4063 0.4573 0.0471 0.029 Uiso 1 1 calc R . . . .
N3 N 0.27155(16) 0.20218(16) 0.39023(12) 0.0163(5) Uani 1 1 d . . . . .
N7 N 0.64003(17) 0.67222(17) 0.19643(12) 0.0171(5) Uani 1 1 d . . . . .
O12 O 0.27295(17) -0.1001(2) -0.01049(13) 0.0419(6) Uani 1 1 d . . . . .
N12 N 0.73720(17) 0.80425(16) 0.10915(12) 0.0173(5) Uani 1 1 d . . . . .
N10 N 0.67820(16) 0.97178(17) 0.21263(12) 0.0172(5) Uani 1 1 d . . . . .
N9 N 0.60120(16) 0.85476(17) 0.29550(12) 0.0166(5) Uani 1 1 d . . . . .
N6 N 0.41857(16) 0.15416(17) 0.20897(12) 0.0164(5) Uani 1 1 d . . . . .
O6 O 0.90115(18) 1.18015(19) 0.56622(14) 0.0456(6) Uani 1 1 d . . . . .
C35 C 0.5057(2) 0.1972(2) 0.10904(16) 0.0257(6) Uani 1 1 d . . . . .
H35 H 0.5325 0.2448 0.0835 0.031 Uiso 1 1 calc R . . . .
C54 C 0.5135(2) 0.8114(2) 0.39526(15) 0.0226(6) Uani 1 1 d . . . . .
H54 H 0.4881 0.7646 0.4216 0.027 Uiso 1 1 calc R . . . .
C29 C 0.3158(2) -0.1678(2) 0.25628(16) 0.0258(6) Uani 1 1 d . . . . .
H29 H 0.3075 -0.2359 0.2449 0.031 Uiso 1 1 calc R . . . .
C26 C 0.1732(2) 0.0943(2) 0.17546(15) 0.0196(6) Uani 1 1 d . . . . .
H26 H 0.2186 0.0754 0.1460 0.023 Uiso 1 1 calc R . . . .
C22 C 0.1352(2) 0.1570(2) 0.29207(15) 0.0194(6) Uani 1 1 d . . . . .
C9 C 0.4606(2) 0.4114(2) 0.35909(15) 0.0179(6) Uani 1 1 d . . . . .
C48 C 0.3230(2) 0.7058(2) 0.01183(15) 0.0220(6) Uani 1 1 d . . . . .
H48 H 0.3406 0.7757 0.0294 0.026 Uiso 1 1 calc R . . . .
C72 C 0.6938(2) 0.7765(2) 0.03772(15) 0.0222(6) Uani 1 1 d . . . . .
H72 H 0.6244 0.7662 0.0272 0.027 Uiso 1 1 calc R . . . .
C67 C 0.8812(2) 0.8575(2) 0.20287(15) 0.0199(6) Uani 1 1 d . . . . .
O11 O 0.09682(19) -0.1922(2) -0.04965(14) 0.0507(7) Uani 1 1 d . . . . .
C5 C 0.6797(2) 0.2842(2) 0.49889(15) 0.0227(6) Uani 1 1 d . . . . .
H5 H 0.6589 0.2141 0.4803 0.027 Uiso 1 1 calc R . . . .
C34 C 0.5129(2) 0.1029(2) 0.08660(16) 0.0254(7) Uani 1 1 d . . . . .
H34 H 0.5462 0.0864 0.0466 0.030 Uiso 1 1 calc R . . . .
C63 C 0.8483(2) 0.9196(2) 0.32166(15) 0.0221(6) Uani 1 1 d . . . . .
H63 H 0.8035 0.9366 0.3526 0.027 Uiso 1 1 calc R . . . .
C68 C 0.8392(2) 0.8200(2) 0.12393(15) 0.0187(6) Uani 1 1 d . . . . .
C45 C 0.4858(2) 0.6031(2) 0.10346(15) 0.0196(6) Uani 1 1 d . . . . .
C17 C 0.3088(2) 0.2264(2) 0.46241(15) 0.0224(6) Uani 1 1 d . . . . .
H17 H 0.3774 0.2361 0.4755 0.027 Uiso 1 1 calc R . . . .
C24 C 0.0075(2) 0.1043(2) 0.18529(17) 0.0277(7) Uani 1 1 d . . . . .
H24 H -0.0570 0.0972 0.1637 0.033 Uiso 1 1 calc R . . . .
C21 C 0.1716(2) 0.1896(2) 0.37194(15) 0.0191(6) Uani 1 1 d . . . . .
C65 C 1.0158(2) 0.9180(2) 0.30607(17) 0.0289(7) Uani 1 1 d . . . . .
H65 H 1.0827 0.9293 0.3257 0.035 Uiso 1 1 calc R . . . .
O5 O 0.8570(2) 1.12036(19) 0.43648(13) 0.0471(6) Uani 1 1 d . . . . .
C69 C 0.8979(2) 0.8075(2) 0.06719(16) 0.0252(6) Uani 1 1 d . . . . .
H69 H 0.9672 0.8179 0.0782 0.030 Uiso 1 1 calc R . . . .
C20 C 0.1075(2) 0.1984(2) 0.42556(16) 0.0260(7) Uani 1 1 d . . . . .
H20 H 0.0389 0.1883 0.4118 0.031 Uiso 1 1 calc R . . . .
O8 O 0.8534(2) 1.0071(2) 0.50628(15) 0.0528(7) Uani 1 1 d . . . . .
C60 C 0.7046(2) 1.1763(2) 0.24730(17) 0.0276(7) Uani 1 1 d . . . . .
H60 H 0.7147 1.2449 0.2593 0.033 Uiso 1 1 calc R . . . .
C8 C 0.5314(2) 0.3994(2) 0.40674(15) 0.0197(6) Uani 1 1 d . . . . .
C55 C 0.5015(2) 0.9042(2) 0.41478(15) 0.0235(6) Uani 1 1 d . . . . .
H55 H 0.4658 0.9198 0.4535 0.028 Uiso 1 1 calc R . . . .
C44 C 0.5608(2) 0.5956(2) 0.15017(15) 0.0188(6) Uani 1 1 d . . . . .
C23 C 0.0370(2) 0.1433(2) 0.26094(16) 0.0258(7) Uani 1 1 d . . . . .
H23 H -0.0087 0.1603 0.2910 0.031 Uiso 1 1 calc R . . . .
C30 C 0.3645(2) -0.1088(2) 0.21235(15) 0.0215(6) Uani 1 1 d . . . . .
H30 H 0.3912 -0.1363 0.1717 0.026 Uiso 1 1 calc R . . . .
C61 C 0.7389(2) 1.1317(2) 0.18568(16) 0.0257(7) Uani 1 1 d . . . . .
H61 H 0.7719 1.1697 0.1552 0.031 Uiso 1 1 calc R . . . .
C13 C 0.2747(2) 0.5157(2) 0.20640(17) 0.0270(7) Uani 1 1 d . . . . .
H13 H 0.2532 0.5572 0.1844 0.032 Uiso 1 1 calc R . . . .
C42 C 0.6413(2) 0.5198(2) 0.21543(16) 0.0230(6) Uani 1 1 d . . . . .
C33 C 0.4695(2) 0.0330(2) 0.12496(15) 0.0227(6) Uani 1 1 d . . . . .
H33 H 0.4719 -0.0316 0.1101 0.027 Uiso 1 1 calc R . . . .
C31 C 0.3732(2) -0.0084(2) 0.22944(14) 0.0182(6) Uani 1 1 d . . . . .
C66 C 0.9829(2) 0.8773(2) 0.23063(17) 0.0255(6) Uani 1 1 d . . . . .
H66 H 1.0282 0.8632 0.1989 0.031 Uiso 1 1 calc R . . . .
C1 C 0.6652(2) 0.4447(2) 0.49619(15) 0.0215(6) Uani 1 1 d . . . . .
C15 C 0.2561(2) 0.3461(2) 0.21203(15) 0.0224(6) Uani 1 1 d . . . . .
H15 H 0.2223 0.2762 0.1941 0.027 Uiso 1 1 calc R . . . .
C11 C 0.3860(2) 0.4932(2) 0.29466(15) 0.0213(6) Uani 1 1 d . . . . .
C43 C 0.5568(2) 0.4940(2) 0.15649(16) 0.0224(6) Uani 1 1 d . . . . .
O9 O 0.1562(2) -0.0161(2) -0.00431(14) 0.0518(7) Uani 1 1 d . . . . .
C56 C 0.5434(2) 0.9734(2) 0.37587(15) 0.0215(6) Uani 1 1 d . . . . .
H56 H 0.5377 1.0368 0.3890 0.026 Uiso 1 1 calc R . . . .
C12 C 0.3552(2) 0.5578(2) 0.26440(17) 0.0265(7) Uani 1 1 d . . . . .
H12 H 0.3879 0.6278 0.2828 0.032 Uiso 1 1 calc R . . . .
C4 C 0.7586(2) 0.3374(2) 0.55739(16) 0.0280(7) Uani 1 1 d . . . . .
H4 H 0.7909 0.3027 0.5790 0.034 Uiso 1 1 calc R . . . .
C59 C 0.6548(2) 1.1173(2) 0.29097(16) 0.0253(6) Uani 1 1 d . . . . .
H59 H 0.6296 1.1455 0.3322 0.030 Uiso 1 1 calc R . . . .
C3 C 0.7908(2) 0.4432(2) 0.58475(17) 0.0303(7) Uani 1 1 d . . . . .
H3 H 0.8443 0.4771 0.6243 0.036 Uiso 1 1 calc R . . . .
C52 C 0.3469(2) 0.5502(2) 0.01641(15) 0.0217(6) Uani 1 1 d . . . . .
C58 C 0.6427(2) 1.0156(2) 0.27282(14) 0.0186(6) Uani 1 1 d . . . . .
C70 C 0.8523(2) 0.7795(2) -0.00509(17) 0.0278(7) Uani 1 1 d . . . . .
H70 H 0.8906 0.7717 -0.0436 0.033 Uiso 1 1 calc R . . . .
C47 C 0.3772(2) 0.6565(2) 0.04299(14) 0.0188(6) Uani 1 1 d . . . . .
C46 C 0.4670(2) 0.6915(2) 0.09850(14) 0.0179(6) Uani 1 1 d . . . . .
C14 C 0.2261(2) 0.4112(2) 0.18123(16) 0.0267(7) Uani 1 1 d . . . . .
H14 H 0.1715 0.3836 0.1424 0.032 Uiso 1 1 calc R . . . .
C16 C 0.3372(2) 0.3874(2) 0.26982(14) 0.0174(6) Uani 1 1 d . . . . .
C6 C 0.6313(2) 0.3385(2) 0.46779(15) 0.0196(6) Uani 1 1 d . . . . .
C28 C 0.2795(2) -0.1237(2) 0.31755(16) 0.0247(6) Uani 1 1 d . . . . .
H28 H 0.2472 -0.1618 0.3482 0.030 Uiso 1 1 calc R . . . .
C19 C 0.1469(2) 0.2221(2) 0.49932(16) 0.0281(7) Uani 1 1 d . . . . .
H19 H 0.1053 0.2277 0.5359 0.034 Uiso 1 1 calc R . . . .
C49 C 0.2431(2) 0.6483(2) -0.04534(16) 0.0276(7) Uani 1 1 d . . . . .
H49 H 0.2070 0.6799 -0.0669 0.033 Uiso 1 1 calc R . . . .
C40 C 0.7605(3) 0.5032(2) 0.30164(18) 0.0347(8) Uani 1 1 d . . . . .
H40 H 0.7836 0.4640 0.3250 0.042 Uiso 1 1 calc R . . . .
C38 C 0.7774(2) 0.6700(2) 0.28993(16) 0.0257(6) Uani 1 1 d . . . . .
H38 H 0.8121 0.7399 0.3047 0.031 Uiso 1 1 calc R . . . .
C39 C 0.8114(2) 0.6077(2) 0.32139(16) 0.0296(7) Uani 1 1 d . . . . .
H39 H 0.8703 0.6371 0.3568 0.036 Uiso 1 1 calc R . . . .
C36 C 0.4583(2) 0.2202(2) 0.17011(15) 0.0212(6) Uani 1 1 d . . . . .
H36 H 0.4537 0.2840 0.1849 0.025 Uiso 1 1 calc R . . . .
C37 C 0.6906(2) 0.6252(2) 0.23610(15) 0.0188(6) Uani 1 1 d . . . . .
C51 C 0.2657(2) 0.4924(2) -0.04121(16) 0.0264(7) Uani 1 1 d . . . . .
H51 H 0.2463 0.4224 -0.0584 0.032 Uiso 1 1 calc R . . . .
C50 C 0.2155(2) 0.5429(2) -0.07159(16) 0.0285(7) Uani 1 1 d . . . . .
H50 H 0.1617 0.5061 -0.1106 0.034 Uiso 1 1 calc R . . . .
C27 C 0.2917(2) -0.0238(2) 0.33240(15) 0.0196(6) Uani 1 1 d . . . . .
H27 H 0.2684 0.0053 0.3743 0.023 Uiso 1 1 calc R . . . .
C18 C 0.2494(2) 0.2374(2) 0.51782(16) 0.0275(7) Uani 1 1 d . . . . .
H18 H 0.2780 0.2549 0.5672 0.033 Uiso 1 1 calc R . . . .
C25 C 0.0755(2) 0.0762(2) 0.14221(16) 0.0238(6) Uani 1 1 d . . . . .
H25 H 0.0557 0.0456 0.0916 0.029 Uiso 1 1 calc R . . . .
C71 C 0.7485(2) 0.7631(2) -0.02000(16) 0.0281(7) Uani 1 1 d . . . . .
H71 H 0.7162 0.7432 -0.0687 0.034 Uiso 1 1 calc R . . . .
C2 C 0.7460(2) 0.4985(2) 0.55503(16) 0.0276(7) Uani 1 1 d . . . . .
H2 H 0.7684 0.5687 0.5733 0.033 Uiso 1 1 calc R . . . .
C78 C 1.0096(2) 0.4761(2) 0.18895(18) 0.0322(7) Uani 1 1 d . . . . .
C32 C 0.42261(19) 0.0602(2) 0.18537(14) 0.0175(6) Uani 1 1 d . . . . .
C73 C 1.0265(2) 0.5691(3) 0.2382(2) 0.0399(8) Uani 1 1 d . . . . .
H73 H 1.0128 0.5725 0.2863 0.048 Uiso 1 1 calc R . . . .
C10 C 0.4668(2) 0.5150(2) 0.35527(16) 0.0216(6) Uani 1 1 d . . . . .
C41 C 0.6755(3) 0.4579(2) 0.24736(18) 0.0326(7) Uani 1 1 d . . . . .
H41 H 0.6417 0.3878 0.2324 0.039 Uiso 1 1 calc R . . . .
C7 C 0.5448(2) 0.3081(2) 0.41039(14) 0.0175(6) Uani 1 1 d . . . . .
C53 C 0.5639(2) 0.7898(2) 0.33588(14) 0.0195(6) Uani 1 1 d . . . . .
H53 H 0.5725 0.7278 0.3232 0.023 Uiso 1 1 calc R . . . .
C64 C 0.9486(2) 0.9418(2) 0.35191(17) 0.0268(7) Uani 1 1 d . . . . .
H64 H 0.9706 0.9722 0.4024 0.032 Uiso 1 1 calc R . . . .
C77 C 1.0305(2) 0.4724(3) 0.11776(18) 0.0341(7) Uani 1 1 d . . . . .
H77 H 1.0180 0.4101 0.0835 0.041 Uiso 1 1 calc R . . . .
C76 C 1.0702(3) 0.5614(3) 0.0968(2) 0.0444(9) Uani 1 1 d . . . . .
H76 H 1.0859 0.5588 0.0492 0.053 Uiso 1 1 calc R . . . .
C62 C 0.7240(2) 1.0303(2) 0.16971(15) 0.0211(6) Uani 1 1 d . . . . .
H62 H 0.7464 1.0007 0.1275 0.025 Uiso 1 1 calc R . . . .
C57 C 0.5938(2) 0.9475(2) 0.31735(14) 0.0179(6) Uani 1 1 d . . . . .
C79 C 0.9687(3) 0.3805(3) 0.2130(2) 0.0498(10) Uani 1 1 d . . . . .
H79A H 1.0183 0.3821 0.2510 0.075 Uiso 1 1 calc GR . . . .
H79B H 0.9568 0.3225 0.1714 0.075 Uiso 1 1 calc GR . . . .
H79C H 0.9052 0.3761 0.2319 0.075 Uiso 1 1 calc GR . . . .
C74 C 1.0634(3) 0.6571(3) 0.2173(2) 0.0489(10) Uani 1 1 d . . . . .
H74 H 1.0731 0.7190 0.2510 0.059 Uiso 1 1 calc R . . . .
C75 C 1.0859(3) 0.6540(3) 0.1475(2) 0.0525(11) Uani 1 1 d . . . . .
H75 H 1.1116 0.7137 0.1338 0.063 Uiso 1 1 calc R . . . .
C81 C 1.0114(5) 0.6112(6) 0.5027(4) 0.0332(16) Uani 0.5 1 d . . P . .
N13 N 0.9662(6) 0.5727(9) 0.4524(5) 0.097(3) Uani 0.5 1 d . . P . .
C80 C 1.0721(6) 0.6456(7) 0.5783(5) 0.059(2) Uani 0.5 1 d . . P . .
H80A H 1.1388 0.6949 0.5792 0.088 Uiso 0.5 1 calc GR . P . .
H80B H 1.0800 0.5885 0.5907 0.088 Uiso 0.5 1 calc GR . P . .
H80C H 1.0364 0.6755 0.6138 0.088 Uiso 0.5 1 calc GR . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O1 2.0943(18) . ?
Ru1 N2 2.105(2) . ?
Ru1 N4 2.031(2) . ?
Ru1 N5 2.067(2) . ?
Ru1 N3 2.056(2) . ?
Ru1 N6 2.058(2) . ?
Ru2 O4 2.0963(18) . ?
Ru2 N11 2.026(2) . ?
Ru2 N7 2.107(2) . ?
Ru2 N12 2.050(2) . ?
Ru2 N10 2.058(2) . ?
Ru2 N9 2.058(2) . ?
Cl2 O10 1.438(2) . ?
Cl2 O12 1.429(2) . ?
Cl2 O11 1.437(2) . ?
Cl2 O9 1.434(2) . ?
Cl1 O7 1.430(2) . ?
Cl1 O6 1.440(2) . ?
Cl1 O5 1.433(2) . ?
Cl1 O8 1.436(2) . ?
O4 C46 1.292(3) . ?
O1 C7 1.283(3) . ?
O3 C43 1.228(3) . ?
N2 C9 1.349(3) . ?
N2 C16 1.428(3) . ?
O2 C10 1.227(3) . ?
N11 C67 1.368(3) . ?
N11 C63 1.344(4) . ?
N4 C26 1.346(3) . ?
N4 C22 1.370(3) . ?
N5 C31 1.360(3) . ?
N5 C27 1.350(3) . ?
N1 H1 0.8600 . ?
N1 C8 1.391(3) . ?
N1 C1 1.367(4) . ?
N8 H8 0.8600 . ?
N8 C45 1.388(4) . ?
N8 C52 1.371(4) . ?
N3 C17 1.345(3) . ?
N3 C21 1.358(3) . ?
N7 C44 1.345(3) . ?
N7 C37 1.436(3) . ?
N12 C72 1.350(3) . ?
N12 C68 1.365(3) . ?
N10 C58 1.362(3) . ?
N10 C62 1.349(3) . ?
N9 C53 1.348(3) . ?
N9 C57 1.357(3) . ?
N6 C36 1.345(3) . ?
N6 C32 1.357(3) . ?
C35 H35 0.9300 . ?
C35 C34 1.379(4) . ?
C35 C36 1.384(4) . ?
C54 H54 0.9300 . ?
C54 C55 1.386(4) . ?
C54 C53 1.380(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.380(4) . ?
C29 C28 1.385(4) . ?
C26 H26 0.9300 . ?
C26 C25 1.382(4) . ?
C22 C21 1.467(4) . ?
C22 C23 1.390(4) . ?
C9 C8 1.387(4) . ?
C9 C10 1.507(4) . ?
C48 H48 0.9300 . ?
C48 C47 1.407(4) . ?
C48 C49 1.378(4) . ?
C72 H72 0.9300 . ?
C72 C71 1.374(4) . ?
C67 C68 1.464(4) . ?
C67 C66 1.394(4) . ?
C5 H5 0.9300 . ?
C5 C4 1.378(4) . ?
C5 C6 1.411(4) . ?
C34 H34 0.9300 . ?
C34 C33 1.387(4) . ?
C63 H63 0.9300 . ?
C63 C64 1.381(4) . ?
C68 C69 1.394(4) . ?
C45 C44 1.384(4) . ?
C45 C46 1.428(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.379(4) . ?
C24 H24 0.9300 . ?
C24 C23 1.380(4) . ?
C24 C25 1.381(4) . ?
C21 C20 1.395(4) . ?
C65 H65 0.9300 . ?
C65 C66 1.383(4) . ?
C65 C64 1.379(4) . ?
C69 H69 0.9300 . ?
C69 C70 1.374(4) . ?
C20 H20 0.9300 . ?
C20 C19 1.382(4) . ?
C60 H60 0.9300 . ?
C60 C61 1.378(4) . ?
C60 C59 1.382(4) . ?
C8 C7 1.427(4) . ?
C55 H55 0.9300 . ?
C55 C56 1.384(4) . ?
C44 C43 1.503(4) . ?
C23 H23 0.9300 . ?
C30 H30 0.9300 . ?
C30 C31 1.385(4) . ?
C61 H61 0.9300 . ?
C61 C62 1.377(4) . ?
C13 H13 0.9300 . ?
C13 C12 1.380(4) . ?
C13 C14 1.386(4) . ?
C42 C43 1.457(4) . ?
C42 C37 1.398(4) . ?
C42 C41 1.395(4) . ?
C33 H33 0.9300 . ?
C33 C32 1.383(4) . ?
C31 C32 1.474(4) . ?
C66 H66 0.9300 . ?
C1 C6 1.407(4) . ?
C1 C2 1.397(4) . ?
C15 H15 0.9300 . ?
C15 C14 1.395(4) . ?
C15 C16 1.383(4) . ?
C11 C12 1.388(4) . ?
C11 C16 1.402(4) . ?
C11 C10 1.456(4) . ?
C56 H56 0.9300 . ?
C56 C57 1.382(4) . ?
C12 H12 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.403(4) . ?
C59 H59 0.9300 . ?
C59 C58 1.389(4) . ?
C3 H3 0.9300 . ?
C3 C2 1.377(4) . ?
C52 C47 1.410(4) . ?
C52 C51 1.394(4) . ?
C58 C57 1.475(4) . ?
C70 H70 0.9300 . ?
C70 C71 1.386(4) . ?
C47 C46 1.445(4) . ?
C14 H14 0.9300 . ?
C6 C7 1.444(4) . ?
C28 H28 0.9300 . ?
C28 C27 1.366(4) . ?
C19 H19 0.9300 . ?
C19 C18 1.381(4) . ?
C49 H49 0.9300 . ?
C49 C50 1.402(4) . ?
C40 H40 0.9300 . ?
C40 C39 1.388(4) . ?
C40 C41 1.377(4) . ?
C38 H38 0.9300 . ?
C38 C39 1.394(4) . ?
C38 C37 1.389(4) . ?
C39 H39 0.9300 . ?
C36 H36 0.9300 . ?
C51 H51 0.9300 . ?
C51 C50 1.373(4) . ?
C50 H50 0.9300 . ?
C27 H27 0.9300 . ?
C18 H18 0.9300 . ?
C25 H25 0.9300 . ?
C71 H71 0.9300 . ?
C2 H2 0.9300 . ?
C78 C73 1.377(5) . ?
C78 C77 1.380(4) . ?
C78 C79 1.513(5) . ?
C73 H73 0.9300 . ?
C73 C74 1.379(5) . ?
C41 H41 0.9300 . ?
C53 H53 0.9300 . ?
C64 H64 0.9300 . ?
C77 H77 0.9300 . ?
C77 C76 1.395(5) . ?
C76 H76 0.9300 . ?
C76 C75 1.388(5) . ?
C62 H62 0.9300 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C74 H74 0.9300 . ?
C74 C75 1.361(5) . ?
C75 H75 0.9300 . ?
C81 N13 1.022(10) . ?
C81 C80 1.494(11) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?

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 N2 92.30(8) . . ?
N4 Ru1 O1 170.45(8) . . ?
N4 Ru1 N2 93.29(8) . . ?
N4 Ru1 N5 90.68(8) . . ?
N4 Ru1 N3 79.13(9) . . ?
N4 Ru1 N6 96.24(8) . . ?
N5 Ru1 O1 84.59(8) . . ?
N5 Ru1 N2 172.96(8) . . ?
N3 Ru1 O1 93.38(8) . . ?
N3 Ru1 N2 87.51(8) . . ?
N3 Ru1 N5 98.95(8) . . ?
N3 Ru1 N6 174.64(8) . . ?
N6 Ru1 O1 90.94(8) . . ?
N6 Ru1 N2 95.48(8) . . ?
N6 Ru1 N5 78.30(8) . . ?
O4 Ru2 N7 92.72(8) . . ?
N11 Ru2 O4 170.39(8) . . ?
N11 Ru2 N7 92.91(9) . . ?
N11 Ru2 N12 79.36(9) . . ?
N11 Ru2 N10 89.16(9) . . ?
N11 Ru2 N9 97.17(9) . . ?
N12 Ru2 O4 93.09(8) . . ?
N12 Ru2 N7 87.77(8) . . ?
N12 Ru2 N10 98.25(8) . . ?
N12 Ru2 N9 175.32(9) . . ?
N10 Ru2 O4 86.03(8) . . ?
N10 Ru2 N7 173.91(8) . . ?
N10 Ru2 N9 78.47(9) . . ?
N9 Ru2 O4 90.03(8) . . ?
N9 Ru2 N7 95.58(8) . . ?
O12 Cl2 O10 109.46(14) . . ?
O12 Cl2 O11 109.22(15) . . ?
O12 Cl2 O9 109.88(16) . . ?
O11 Cl2 O10 109.65(15) . . ?
O9 Cl2 O10 110.19(14) . . ?
O9 Cl2 O11 108.43(17) . . ?
O7 Cl1 O6 108.94(14) . . ?
O7 Cl1 O5 109.24(15) . . ?
O7 Cl1 O8 109.81(16) . . ?
O5 Cl1 O6 110.04(16) . . ?
O5 Cl1 O8 109.91(15) . . ?
O8 Cl1 O6 108.90(16) . . ?
C46 O4 Ru2 122.85(16) . . ?
C7 O1 Ru1 123.49(16) . . ?
C9 N2 Ru1 120.82(17) . . ?
C9 N2 C16 105.9(2) . . ?
C16 N2 Ru1 133.28(17) . . ?
C67 N11 Ru2 115.30(18) . . ?
C63 N11 Ru2 126.24(19) . . ?
C63 N11 C67 118.4(2) . . ?
C26 N4 Ru1 126.92(18) . . ?
C26 N4 C22 117.8(2) . . ?
C22 N4 Ru1 115.30(17) . . ?
C31 N5 Ru1 115.87(17) . . ?
C27 N5 Ru1 126.41(18) . . ?
C27 N5 C31 117.7(2) . . ?
C8 N1 H1 125.5 . . ?
C1 N1 H1 125.5 . . ?
C1 N1 C8 109.1(2) . . ?
C45 N8 H8 125.3 . . ?
C52 N8 H8 125.3 . . ?
C52 N8 C45 109.4(2) . . ?
C17 N3 Ru1 126.78(18) . . ?
C17 N3 C21 118.1(2) . . ?
C21 N3 Ru1 115.16(17) . . ?
C44 N7 Ru2 120.52(17) . . ?
C44 N7 C37 105.5(2) . . ?
C37 N7 Ru2 133.91(18) . . ?
C72 N12 Ru2 126.51(18) . . ?
C72 N12 C68 118.3(2) . . ?
C68 N12 Ru2 115.14(17) . . ?
C58 N10 Ru2 115.89(17) . . ?
C62 N10 Ru2 126.36(19) . . ?
C62 N10 C58 117.6(2) . . ?
C53 N9 Ru2 125.53(18) . . ?
C53 N9 C57 118.0(2) . . ?
C57 N9 Ru2 116.45(17) . . ?
C36 N6 Ru1 125.25(18) . . ?
C36 N6 C32 118.1(2) . . ?
C32 N6 Ru1 116.67(17) . . ?
C34 C35 H35 120.4 . . ?
C34 C35 C36 119.2(3) . . ?
C36 C35 H35 120.4 . . ?
C55 C54 H54 120.7 . . ?
C53 C54 H54 120.7 . . ?
C53 C54 C55 118.7(3) . . ?
C30 C29 H29 120.5 . . ?
C30 C29 C28 118.9(3) . . ?
C28 C29 H29 120.5 . . ?
N4 C26 H26 118.5 . . ?
N4 C26 C25 123.0(3) . . ?
C25 C26 H26 118.5 . . ?
N4 C22 C21 114.5(2) . . ?
N4 C22 C23 121.1(2) . . ?
C23 C22 C21 124.4(3) . . ?
N2 C9 C8 127.0(2) . . ?
N2 C9 C10 111.4(2) . . ?
C8 C9 C10 121.6(2) . . ?
C47 C48 H48 120.8 . . ?
C49 C48 H48 120.8 . . ?
C49 C48 C47 118.4(3) . . ?
N12 C72 H72 118.8 . . ?
N12 C72 C71 122.3(3) . . ?
C71 C72 H72 118.8 . . ?
N11 C67 C68 114.9(2) . . ?
N11 C67 C66 121.0(3) . . ?
C66 C67 C68 124.1(3) . . ?
C4 C5 H5 120.8 . . ?
C4 C5 C6 118.4(3) . . ?
C6 C5 H5 120.8 . . ?
C35 C34 H34 120.7 . . ?
C35 C34 C33 118.6(3) . . ?
C33 C34 H34 120.7 . . ?
N11 C63 H63 118.7 . . ?
N11 C63 C64 122.6(3) . . ?
C64 C63 H63 118.7 . . ?
N12 C68 C67 114.3(2) . . ?
N12 C68 C69 121.4(2) . . ?
C69 C68 C67 124.2(3) . . ?
N8 C45 C46 108.3(2) . . ?
C44 C45 N8 122.8(3) . . ?
C44 C45 C46 128.9(3) . . ?
N3 C17 H17 118.6 . . ?
N3 C17 C18 122.8(3) . . ?
C18 C17 H17 118.6 . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C25 C24 C23 118.9(3) . . ?
N3 C21 C22 114.6(2) . . ?
N3 C21 C20 121.7(2) . . ?
C20 C21 C22 123.4(2) . . ?
C66 C65 H65 120.2 . . ?
C64 C65 H65 120.2 . . ?
C64 C65 C66 119.5(3) . . ?
C68 C69 H69 120.3 . . ?
C70 C69 C68 119.3(3) . . ?
C70 C69 H69 120.3 . . ?
C21 C20 H20 120.3 . . ?
C19 C20 C21 119.3(3) . . ?
C19 C20 H20 120.3 . . ?
C61 C60 H60 120.6 . . ?
C61 C60 C59 118.8(3) . . ?
C59 C60 H60 120.6 . . ?
N1 C8 C7 108.5(2) . . ?
C9 C8 N1 122.9(3) . . ?
C9 C8 C7 128.6(3) . . ?
C54 C55 H55 120.5 . . ?
C56 C55 C54 119.1(3) . . ?
C56 C55 H55 120.5 . . ?
N7 C44 C45 127.2(3) . . ?
N7 C44 C43 112.0(2) . . ?
C45 C44 C43 120.8(2) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(3) . . ?
C24 C23 H23 120.1 . . ?
C29 C30 H30 120.4 . . ?
C29 C30 C31 119.2(3) . . ?
C31 C30 H30 120.4 . . ?
C60 C61 H61 120.3 . . ?
C62 C61 C60 119.4(3) . . ?
C62 C61 H61 120.3 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.4(3) . . ?
C14 C13 H13 120.3 . . ?
C37 C42 C43 106.9(2) . . ?
C41 C42 C43 130.6(3) . . ?
C41 C42 C37 122.5(3) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 C34 119.6(3) . . ?
C32 C33 H33 120.2 . . ?
N5 C31 C30 121.9(2) . . ?
N5 C31 C32 114.9(2) . . ?
C30 C31 C32 123.2(2) . . ?
C67 C66 H66 120.4 . . ?
C65 C66 C67 119.1(3) . . ?
C65 C66 H66 120.4 . . ?
N1 C1 C6 109.5(2) . . ?
N1 C1 C2 128.7(3) . . ?
C2 C1 C6 121.8(3) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C16 C15 C14 118.7(3) . . ?
C12 C11 C16 122.6(3) . . ?
C12 C11 C10 130.7(3) . . ?
C16 C11 C10 106.6(2) . . ?
O3 C43 C44 126.0(3) . . ?
O3 C43 C42 130.5(3) . . ?
C42 C43 C44 103.4(2) . . ?
C55 C56 H56 120.3 . . ?
C57 C56 C55 119.4(3) . . ?
C57 C56 H56 120.3 . . ?
C13 C12 C11 118.4(3) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
C5 C4 H4 119.6 . . ?
C5 C4 C3 120.7(3) . . ?
C3 C4 H4 119.6 . . ?
C60 C59 H59 120.3 . . ?
C60 C59 C58 119.5(3) . . ?
C58 C59 H59 120.3 . . ?
C4 C3 H3 118.9 . . ?
C2 C3 C4 122.2(3) . . ?
C2 C3 H3 118.9 . . ?
N8 C52 C47 109.3(2) . . ?
N8 C52 C51 128.8(3) . . ?
C51 C52 C47 121.8(3) . . ?
N10 C58 C59 121.8(2) . . ?
N10 C58 C57 114.8(2) . . ?
C59 C58 C57 123.4(2) . . ?
C69 C70 H70 120.4 . . ?
C69 C70 C71 119.2(3) . . ?
C71 C70 H70 120.4 . . ?
C48 C47 C52 119.4(3) . . ?
C48 C47 C46 133.7(3) . . ?
C52 C47 C46 106.8(2) . . ?
O4 C46 C45 125.7(2) . . ?
O4 C46 C47 128.1(2) . . ?
C45 C46 C47 106.2(2) . . ?
C13 C14 C15 122.3(3) . . ?
C13 C14 H14 118.8 . . ?
C15 C14 H14 118.8 . . ?
C15 C16 N2 129.2(2) . . ?
C15 C16 C11 118.4(2) . . ?
C11 C16 N2 112.3(2) . . ?
C5 C6 C7 133.3(3) . . ?
C1 C6 C5 119.7(3) . . ?
C1 C6 C7 107.0(2) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 C29 119.3(3) . . ?
C27 C28 H28 120.4 . . ?
C20 C19 H19 120.6 . . ?
C18 C19 C20 118.8(3) . . ?
C18 C19 H19 120.6 . . ?
C48 C49 H49 119.5 . . ?
C48 C49 C50 121.1(3) . . ?
C50 C49 H49 119.5 . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C41 C40 C39 119.8(3) . . ?
C39 C38 H38 120.8 . . ?
C37 C38 H38 120.8 . . ?
C37 C38 C39 118.5(3) . . ?
C40 C39 C38 122.2(3) . . ?
C40 C39 H39 118.9 . . ?
C38 C39 H39 118.9 . . ?
N6 C36 C35 122.7(3) . . ?
N6 C36 H36 118.7 . . ?
C35 C36 H36 118.7 . . ?
C42 C37 N7 112.1(2) . . ?
C38 C37 N7 129.1(3) . . ?
C38 C37 C42 118.8(3) . . ?
C52 C51 H51 121.3 . . ?
C50 C51 C52 117.5(3) . . ?
C50 C51 H51 121.3 . . ?
C49 C50 H50 119.1 . . ?
C51 C50 C49 121.8(3) . . ?
C51 C50 H50 119.1 . . ?
N5 C27 C28 122.9(3) . . ?
N5 C27 H27 118.5 . . ?
C28 C27 H27 118.5 . . ?
C17 C18 C19 119.4(3) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C26 C25 H25 120.5 . . ?
C24 C25 C26 119.0(3) . . ?
C24 C25 H25 120.5 . . ?
C72 C71 C70 119.4(3) . . ?
C72 C71 H71 120.3 . . ?
C70 C71 H71 120.3 . . ?
C1 C2 H2 121.4 . . ?
C3 C2 C1 117.2(3) . . ?
C3 C2 H2 121.4 . . ?
C73 C78 C77 118.7(3) . . ?
C73 C78 C79 120.2(3) . . ?
C77 C78 C79 121.1(3) . . ?
N6 C32 C33 121.8(2) . . ?
N6 C32 C31 114.2(2) . . ?
C33 C32 C31 124.0(2) . . ?
C78 C73 H73 119.5 . . ?
C78 C73 C74 121.0(4) . . ?
C74 C73 H73 119.5 . . ?
O2 C10 C9 126.2(2) . . ?
O2 C10 C11 130.1(3) . . ?
C11 C10 C9 103.7(2) . . ?
C42 C41 H41 120.9 . . ?
C40 C41 C42 118.3(3) . . ?
C40 C41 H41 120.9 . . ?
O1 C7 C8 125.9(2) . . ?
O1 C7 C6 128.2(2) . . ?
C8 C7 C6 105.9(2) . . ?
N9 C53 C54 122.9(3) . . ?
N9 C53 H53 118.6 . . ?
C54 C53 H53 118.6 . . ?
C63 C64 H64 120.5 . . ?
C65 C64 C63 119.0(3) . . ?
C65 C64 H64 120.5 . . ?
C78 C77 H77 119.8 . . ?
C78 C77 C76 120.5(3) . . ?
C76 C77 H77 119.8 . . ?
C77 C76 H76 120.3 . . ?
C77 C76 C75 119.5(3) . . ?
C75 C76 H76 120.3 . . ?
N10 C62 C61 122.9(3) . . ?
N10 C62 H62 118.6 . . ?
C61 C62 H62 118.6 . . ?
N9 C57 C56 121.9(2) . . ?
N9 C57 C58 114.1(2) . . ?
C56 C57 C58 124.0(2) . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C73 C74 H74 119.8 . . ?
C75 C74 C73 120.5(4) . . ?
C75 C74 H74 119.8 . . ?
C76 C75 H75 120.1 . . ?
C74 C75 C76 119.8(4) . . ?
C74 C75 H75 120.1 . . ?
N13 C81 C80 167.8(10) . . ?
C81 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
C81 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 O1 C7 C8 -10.5(4) . . . . ?
Ru1 O1 C7 C6 169.0(2) . . . . ?
Ru1 N2 C9 C8 4.2(4) . . . . ?
Ru1 N2 C9 C10 -178.64(16) . . . . ?
Ru1 N2 C16 C15 -0.9(4) . . . . ?
Ru1 N2 C16 C11 -179.72(18) . . . . ?
Ru1 N4 C26 C25 -172.3(2) . . . . ?
Ru1 N4 C22 C21 -11.0(3) . . . . ?
Ru1 N4 C22 C23 170.5(2) . . . . ?
Ru1 N5 C31 C30 -177.5(2) . . . . ?
Ru1 N5 C31 C32 2.6(3) . . . . ?
Ru1 N5 C27 C28 176.2(2) . . . . ?
Ru1 N3 C17 C18 179.9(2) . . . . ?
Ru1 N3 C21 C22 4.6(3) . . . . ?
Ru1 N3 C21 C20 179.1(2) . . . . ?
Ru1 N6 C36 C35 177.8(2) . . . . ?
Ru1 N6 C32 C33 -177.5(2) . . . . ?
Ru1 N6 C32 C31 2.5(3) . . . . ?
Ru2 O4 C46 C45 11.2(3) . . . . ?
Ru2 O4 C46 C47 -168.3(2) . . . . ?
Ru2 N11 C67 C68 9.1(3) . . . . ?
Ru2 N11 C67 C66 -172.1(2) . . . . ?
Ru2 N11 C63 C64 172.6(2) . . . . ?
Ru2 N7 C44 C45 -2.6(4) . . . . ?
Ru2 N7 C44 C43 -179.58(16) . . . . ?
Ru2 N7 C37 C42 177.06(19) . . . . ?
Ru2 N7 C37 C38 -2.5(4) . . . . ?
Ru2 N12 C72 C71 -178.5(2) . . . . ?
Ru2 N12 C68 C67 -5.5(3) . . . . ?
Ru2 N12 C68 C69 178.7(2) . . . . ?
Ru2 N10 C58 C59 174.7(2) . . . . ?
Ru2 N10 C58 C57 -3.7(3) . . . . ?
Ru2 N10 C62 C61 -173.5(2) . . . . ?
Ru2 N9 C53 C54 -173.7(2) . . . . ?
Ru2 N9 C57 C56 173.4(2) . . . . ?
Ru2 N9 C57 C58 -6.0(3) . . . . ?
N2 C9 C8 N1 -176.3(2) . . . . ?
N2 C9 C8 C7 6.0(5) . . . . ?
N2 C9 C10 O2 177.8(3) . . . . ?
N2 C9 C10 C11 -2.6(3) . . . . ?
N11 C67 C68 N12 -2.3(3) . . . . ?
N11 C67 C68 C69 173.3(3) . . . . ?
N11 C67 C66 C65 -2.3(4) . . . . ?
N11 C63 C64 C65 0.9(4) . . . . ?
N4 C26 C25 C24 0.3(4) . . . . ?
N4 C22 C21 N3 4.1(3) . . . . ?
N4 C22 C21 C20 -170.3(3) . . . . ?
N4 C22 C23 C24 3.7(4) . . . . ?
N5 C31 C32 N6 -3.3(3) . . . . ?
N5 C31 C32 C33 176.7(2) . . . . ?
N1 C8 C7 O1 179.6(2) . . . . ?
N1 C8 C7 C6 0.0(3) . . . . ?
N1 C1 C6 C5 -178.4(2) . . . . ?
N1 C1 C6 C7 -0.7(3) . . . . ?
N1 C1 C2 C3 177.3(3) . . . . ?
N8 C45 C44 N7 175.1(2) . . . . ?
N8 C45 C44 C43 -8.2(4) . . . . ?
N8 C45 C46 O4 -179.6(2) . . . . ?
N8 C45 C46 C47 -0.1(3) . . . . ?
N8 C52 C47 C48 178.9(2) . . . . ?
N8 C52 C47 C46 1.4(3) . . . . ?
N8 C52 C51 C50 -177.1(3) . . . . ?
N3 C17 C18 C19 0.7(5) . . . . ?
N3 C21 C20 C19 1.1(4) . . . . ?
N7 C44 C43 O3 -176.8(3) . . . . ?
N7 C44 C43 C42 2.7(3) . . . . ?
N12 C72 C71 C70 -0.8(5) . . . . ?
N12 C68 C69 C70 0.6(4) . . . . ?
N10 C58 C57 N9 6.3(3) . . . . ?
N10 C58 C57 C56 -173.0(2) . . . . ?
C35 C34 C33 C32 -1.5(4) . . . . ?
C54 C55 C56 C57 1.7(4) . . . . ?
C29 C30 C31 N5 0.9(4) . . . . ?
C29 C30 C31 C32 -179.2(3) . . . . ?
C29 C28 C27 N5 1.4(4) . . . . ?
C26 N4 C22 C21 170.8(2) . . . . ?
C26 N4 C22 C23 -7.7(4) . . . . ?
C22 N4 C26 C25 5.7(4) . . . . ?
C22 C21 C20 C19 175.1(3) . . . . ?
C9 N2 C16 C15 178.6(3) . . . . ?
C9 N2 C16 C11 -0.3(3) . . . . ?
C9 C8 C7 O1 -2.4(5) . . . . ?
C9 C8 C7 C6 178.0(3) . . . . ?
C48 C47 C46 O4 1.7(5) . . . . ?
C48 C47 C46 C45 -177.9(3) . . . . ?
C48 C49 C50 C51 0.7(5) . . . . ?
C72 N12 C68 C67 175.4(2) . . . . ?
C72 N12 C68 C69 -0.4(4) . . . . ?
C67 N11 C63 C64 -5.5(4) . . . . ?
C67 C68 C69 C70 -174.8(3) . . . . ?
C5 C4 C3 C2 0.0(5) . . . . ?
C5 C6 C7 O1 -1.9(5) . . . . ?
C5 C6 C7 C8 177.7(3) . . . . ?
C34 C35 C36 N6 0.1(4) . . . . ?
C34 C33 C32 N6 -0.7(4) . . . . ?
C34 C33 C32 C31 179.3(3) . . . . ?
C63 N11 C67 C68 -172.6(2) . . . . ?
C63 N11 C67 C66 6.2(4) . . . . ?
C68 N12 C72 C71 0.5(4) . . . . ?
C68 C67 C66 C65 176.3(3) . . . . ?
C68 C69 C70 C71 -0.8(4) . . . . ?
C45 N8 C52 C47 -1.4(3) . . . . ?
C45 N8 C52 C51 175.9(3) . . . . ?
C45 C44 C43 O3 6.0(4) . . . . ?
C45 C44 C43 C42 -174.5(2) . . . . ?
C17 N3 C21 C22 -176.3(2) . . . . ?
C17 N3 C21 C20 -1.8(4) . . . . ?
C21 N3 C17 C18 0.9(4) . . . . ?
C21 C22 C23 C24 -174.6(3) . . . . ?
C21 C20 C19 C18 0.6(5) . . . . ?
C69 C70 C71 C72 0.9(5) . . . . ?
C20 C19 C18 C17 -1.4(5) . . . . ?
C60 C61 C62 N10 -1.2(4) . . . . ?
C60 C59 C58 N10 -0.4(4) . . . . ?
C60 C59 C58 C57 177.9(3) . . . . ?
C8 N1 C1 C6 0.7(3) . . . . ?
C8 N1 C1 C2 -177.2(3) . . . . ?
C8 C9 C10 O2 -4.8(4) . . . . ?
C8 C9 C10 C11 174.7(2) . . . . ?
C55 C54 C53 N9 -0.6(4) . . . . ?
C55 C56 C57 N9 1.7(4) . . . . ?
C55 C56 C57 C58 -179.0(3) . . . . ?
C44 N7 C37 C42 -1.2(3) . . . . ?
C44 N7 C37 C38 179.2(3) . . . . ?
C44 C45 C46 O4 2.8(5) . . . . ?
C44 C45 C46 C47 -177.7(3) . . . . ?
C23 C22 C21 N3 -177.4(3) . . . . ?
C23 C22 C21 C20 8.2(4) . . . . ?
C23 C24 C25 C26 -4.3(4) . . . . ?
C30 C29 C28 C27 0.8(4) . . . . ?
C30 C31 C32 N6 176.7(2) . . . . ?
C30 C31 C32 C33 -3.2(4) . . . . ?
C61 C60 C59 C58 1.5(4) . . . . ?
C31 N5 C27 C28 -2.3(4) . . . . ?
C66 C67 C68 N12 179.0(3) . . . . ?
C66 C67 C68 C69 -5.4(4) . . . . ?
C66 C65 C64 C63 3.1(4) . . . . ?
C1 N1 C8 C9 -178.6(3) . . . . ?
C1 N1 C8 C7 -0.4(3) . . . . ?
C1 C6 C7 O1 -179.1(3) . . . . ?
C1 C6 C7 C8 0.4(3) . . . . ?
C43 C42 C37 N7 3.0(3) . . . . ?
C43 C42 C37 C38 -177.4(2) . . . . ?
C43 C42 C41 C40 178.2(3) . . . . ?
C12 C13 C14 C15 -0.6(5) . . . . ?
C12 C11 C16 N2 -180.0(3) . . . . ?
C12 C11 C16 C15 1.1(4) . . . . ?
C12 C11 C10 O2 0.2(5) . . . . ?
C12 C11 C10 C9 -179.3(3) . . . . ?
C4 C5 C6 C1 0.9(4) . . . . ?
C4 C5 C6 C7 -176.1(3) . . . . ?
C4 C3 C2 C1 0.6(5) . . . . ?
C59 C60 C61 C62 -0.7(4) . . . . ?
C59 C58 C57 N9 -172.1(2) . . . . ?
C59 C58 C57 C56 8.6(4) . . . . ?
C52 N8 C45 C44 178.7(2) . . . . ?
C52 N8 C45 C46 0.9(3) . . . . ?
C52 C47 C46 O4 178.8(2) . . . . ?
C52 C47 C46 C45 -0.8(3) . . . . ?
C52 C51 C50 C49 -1.0(4) . . . . ?
C58 N10 C62 C61 2.2(4) . . . . ?
C47 C48 C49 C50 0.7(4) . . . . ?
C47 C52 C51 C50 -0.1(4) . . . . ?
C46 C45 C44 N7 -7.7(5) . . . . ?
C46 C45 C44 C43 169.1(3) . . . . ?
C14 C13 C12 C11 1.3(4) . . . . ?
C14 C15 C16 N2 -179.1(3) . . . . ?
C14 C15 C16 C11 -0.3(4) . . . . ?
C16 N2 C9 C8 -175.4(3) . . . . ?
C16 N2 C9 C10 1.8(3) . . . . ?
C16 C15 C14 C13 0.1(4) . . . . ?
C16 C11 C12 C13 -1.5(4) . . . . ?
C16 C11 C10 O2 -178.2(3) . . . . ?
C16 C11 C10 C9 2.3(3) . . . . ?
C6 C5 C4 C3 -0.8(4) . . . . ?
C6 C1 C2 C3 -0.5(4) . . . . ?
C28 C29 C30 C31 -1.8(4) . . . . ?
C49 C48 C47 C52 -1.7(4) . . . . ?
C49 C48 C47 C46 175.1(3) . . . . ?
C39 C40 C41 C42 -2.0(5) . . . . ?
C39 C38 C37 N7 179.2(3) . . . . ?
C39 C38 C37 C42 -0.3(4) . . . . ?
C36 N6 C32 C33 2.5(4) . . . . ?
C36 N6 C32 C31 -177.4(2) . . . . ?
C36 C35 C34 C33 1.8(4) . . . . ?
C37 N7 C44 C45 175.9(3) . . . . ?
C37 N7 C44 C43 -1.0(3) . . . . ?
C37 C42 C43 O3 176.3(3) . . . . ?
C37 C42 C43 C44 -3.3(3) . . . . ?
C37 C42 C41 C40 0.6(5) . . . . ?
C37 C38 C39 C40 -1.2(5) . . . . ?
C51 C52 C47 C48 1.4(4) . . . . ?
C51 C52 C47 C46 -176.2(3) . . . . ?
C27 N5 C31 C30 1.1(4) . . . . ?
C27 N5 C31 C32 -178.8(2) . . . . ?
C25 C24 C23 C22 2.4(4) . . . . ?
C2 C1 C6 C5 -0.3(4) . . . . ?
C2 C1 C6 C7 177.4(3) . . . . ?
C78 C73 C74 C75 -1.2(5) . . . . ?
C78 C77 C76 C75 -1.8(5) . . . . ?
C32 N6 C36 C35 -2.2(4) . . . . ?
C73 C78 C77 C76 1.4(5) . . . . ?
C73 C74 C75 C76 0.8(5) . . . . ?
C10 C9 C8 N1 6.8(4) . . . . ?
C10 C9 C8 C7 -170.9(3) . . . . ?
C10 C11 C12 C13 -179.7(3) . . . . ?
C10 C11 C16 N2 -1.4(3) . . . . ?
C10 C11 C16 C15 179.6(2) . . . . ?
C41 C42 C43 O3 -1.6(5) . . . . ?
C41 C42 C43 C44 178.9(3) . . . . ?
C41 C42 C37 N7 -179.0(3) . . . . ?
C41 C42 C37 C38 0.6(4) . . . . ?
C41 C40 C39 C38 2.4(5) . . . . ?
C53 N9 C57 C56 -4.5(4) . . . . ?
C53 N9 C57 C58 176.2(2) . . . . ?
C53 C54 C55 C56 -2.2(4) . . . . ?
C64 C65 C66 C67 -2.4(4) . . . . ?
C77 C78 C73 C74 0.1(5) . . . . ?
C77 C76 C75 C74 0.7(5) . . . . ?
C62 N10 C58 C59 -1.4(4) . . . . ?
C62 N10 C58 C57 -179.9(2) . . . . ?
C57 N9 C53 C54 4.0(4) . . . . ?
C79 C78 C73 C74 -179.8(3) . . . . ?
C79 C78 C77 C76 -178.7(3) . . . . ?

_vrf_PLAT_112_1clo4              
;   
PROBLEM:  ADDSYM Detects New (Pseudo) Symm. Elem. c/2 93 %Fit  
RESPONSE: In order to address the proposed Pseudo Symm, the structure
was also tried in C2/c space group. However, refinement parameters
worsened in C2/c.
;

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2clo42
_database_code_depnum_ccdc_archive 'CCDC 1517487'
_audit_update_record             
;
2017-02-15 deposited with the CCDC.
2017-04-03 downloaded from the CCDC.
;
_audit_creation_date             2016-11-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H40 N10 O2 Ru2, 2(Cl O4), C2 H3 N'
_chemical_formula_sum            'C58 H43 Cl2 N11 O10 Ru2'
_chemical_formula_weight         1327.07
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   12.9402(5)
_cell_length_b                   15.1780(4)
_cell_length_c                   15.4382(4)
_cell_angle_alpha                81.868(2)
_cell_angle_beta                 69.543(3)
_cell_angle_gamma                73.626(3)
_cell_volume                     2722.61(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11490
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.7700
_cell_measurement_theta_min      2.0300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22781
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.568
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7502
_reflns_number_total             9569
_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 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.203
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         9569
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0571
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0567P)²+5.8990P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1408
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C36(H36), C30(H30), C37(H37), C40(H40), C29(H29), C27(H27),
 C12(H12), C5(H5), C2(H2), C28(H28), C13(H13), C14(H14), C17(H17), C35(H35),
 C39(H39), C4(H4), C48(H48), C46(H46), C45(H45), C38(H38), C18(H18), C26(H26),
 C20(H20), C47(H47), C23(H23), C34(H34), C24(H24), C44(H44), C25(H25), C43(H43),
  C53(H53), C19(H19), C3(H3), C55(H55), C49(H49), C54(H54), C50(H50), C33(H33),
 C56(H56)
2.b Idealised Me refined as rotating group:
 C57(H57A,H57B,H57C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.40106(4) 0.23551(3) 0.43943(3) 0.02634(13) Uani 1 1 d . . . . .
Ru2 Ru 0.30187(4) 0.30684(3) 0.85782(3) 0.02711(13) Uani 1 1 d . . . . .
Cl1 Cl 0.73423(17) 0.24245(13) 0.96011(14) 0.0634(5) Uani 1 1 d . . . . .
Cl2 Cl 0.97868(15) 0.12110(14) 0.23580(13) 0.0589(5) Uani 1 1 d . . . . .
O2 O 0.5111(3) 0.1736(2) 0.5101(2) 0.0300(8) Uani 1 1 d . . . . .
N6 N 0.5112(4) 0.1528(3) 0.3344(3) 0.0291(10) Uani 1 1 d . . . . .
O1 O 0.2309(3) 0.4030(2) 0.7720(2) 0.0315(8) Uani 1 1 d . . . . .
N2 N 0.4235(4) 0.2405(3) 0.7407(3) 0.0266(10) Uani 1 1 d . . . . .
N5 N 0.5130(4) 0.3150(3) 0.3700(3) 0.0285(10) Uani 1 1 d . . . . .
N8 N 0.1886(4) 0.3849(3) 0.9668(3) 0.0323(10) Uani 1 1 d . . . . .
N7 N 0.3944(4) 0.3957(3) 0.8611(3) 0.0332(11) Uani 1 1 d . . . . .
N1 N 0.3080(4) 0.3259(3) 0.5449(3) 0.0280(10) Uani 1 1 d . . . . .
N4 N 0.3015(4) 0.2710(3) 0.3571(3) 0.0320(10) Uani 1 1 d . . . . .
N3 N 0.2856(4) 0.1571(3) 0.5013(3) 0.0289(10) Uani 1 1 d . . . . .
C15 C 0.5947(5) 0.1565(4) 0.7894(4) 0.0306(12) Uani 1 1 d . . . . .
H15 H 0.5660 0.1801 0.8479 0.037 Uiso 1 1 calc R . . . .
C31 C 0.6007(5) 0.2770(4) 0.2951(4) 0.0312(12) Uani 1 1 d . . . . .
N9 N 0.3448(4) 0.2134(3) 0.9555(3) 0.0306(10) Uani 1 1 d . . . . .
C36 C 0.5039(5) 0.0690(4) 0.3187(4) 0.0354(13) Uani 1 1 d . . . . .
H36 H 0.4477 0.0434 0.3613 0.042 Uiso 1 1 calc R . . . .
C16 C 0.5303(5) 0.1803(4) 0.7288(3) 0.0276(12) Uani 1 1 d . . . . .
N10 N 0.2007(4) 0.2191(3) 0.8703(3) 0.0310(10) Uani 1 1 d . . . . .
C30 C 0.6846(5) 0.3221(4) 0.2453(4) 0.0375(13) Uani 1 1 d . . . . .
H30 H 0.7441 0.2955 0.1944 0.045 Uiso 1 1 calc R . . . .
C41 C 0.3385(5) 0.4600(4) 0.9269(4) 0.0384(14) Uani 1 1 d . . . . .
O5 O 0.8033(4) 0.2627(4) 1.0059(4) 0.0701(15) Uani 1 1 d . . . . .
C37 C 0.5001(5) 0.3956(4) 0.8058(4) 0.0336(13) Uani 1 1 d . . . . .
H37 H 0.5375 0.3521 0.7609 0.040 Uiso 1 1 calc R . . . .
O6 O 0.7577(5) 0.1463(4) 0.9556(4) 0.0790(16) Uani 1 1 d . . . . .
C8 C 0.3209(4) 0.3156(3) 0.6315(3) 0.0251(11) Uani 1 1 d . . . . .
C40 C 0.3920(6) 0.5237(4) 0.9358(4) 0.0484(16) Uani 1 1 d . . . . .
H40 H 0.3538 0.5676 0.9802 0.058 Uiso 1 1 calc R . . . .
C29 C 0.6790(5) 0.4064(4) 0.2716(4) 0.0385(14) Uani 1 1 d . . . . .
H29 H 0.7354 0.4368 0.2392 0.046 Uiso 1 1 calc R . . . .
C27 C 0.5091(5) 0.3987(4) 0.3948(4) 0.0353(13) Uani 1 1 d . . . . .
H27 H 0.4501 0.4249 0.4461 0.042 Uiso 1 1 calc R . . . .
C12 C 0.6871(5) 0.0823(4) 0.6126(4) 0.0352(13) Uani 1 1 d . . . . .
H12 H 0.7166 0.0579 0.5544 0.042 Uiso 1 1 calc R . . . .
C5 C 0.1083(5) 0.5391(4) 0.6422(4) 0.0409(14) Uani 1 1 d . . . . .
H5 H 0.0819 0.5669 0.6984 0.049 Uiso 1 1 calc R . . . .
C32 C 0.5974(5) 0.1870(4) 0.2736(4) 0.0316(12) Uani 1 1 d . . . . .
C1 C 0.2282(4) 0.4093(4) 0.5447(4) 0.0299(12) Uani 1 1 d . . . . .
C9 C 0.4070(4) 0.2491(3) 0.6562(3) 0.0251(11) Uani 1 1 d . . . . .
C42 C 0.2233(5) 0.4538(4) 0.9855(3) 0.0359(13) Uani 1 1 d . . . . .
C2 C 0.1885(5) 0.4542(4) 0.4725(4) 0.0401(14) Uani 1 1 d . . . . .
H2 H 0.2141 0.4274 0.4158 0.048 Uiso 1 1 calc R . . . .
C11 C 0.5796(4) 0.1443(4) 0.6406(3) 0.0273(11) Uani 1 1 d . . . . .
C6 C 0.1876(5) 0.4534(4) 0.6292(3) 0.0299(12) Uani 1 1 d . . . . .
C21 C 0.2041(5) 0.1674(4) 0.4620(4) 0.0334(13) Uani 1 1 d . . . . .
C28 C 0.5903(5) 0.4456(4) 0.3457(4) 0.0390(14) Uani 1 1 d . . . . .
H28 H 0.5848 0.5035 0.3628 0.047 Uiso 1 1 calc R . . . .
C13 C 0.7477(5) 0.0587(4) 0.6733(4) 0.0361(13) Uani 1 1 d . . . . .
H13 H 0.8190 0.0173 0.6568 0.043 Uiso 1 1 calc R . . . .
C14 C 0.7021(5) 0.0968(4) 0.7596(4) 0.0371(14) Uani 1 1 d . . . . .
H14 H 0.7455 0.0816 0.7991 0.045 Uiso 1 1 calc R . . . .
C17 C 0.2788(5) 0.1046(4) 0.5787(4) 0.0398(14) Uani 1 1 d . . . . .
H17 H 0.3347 0.0974 0.6059 0.048 Uiso 1 1 calc R . . . .
C10 C 0.5007(4) 0.1872(4) 0.5927(3) 0.0269(12) Uani 1 1 d . . . . .
C35 C 0.5761(6) 0.0211(4) 0.2428(4) 0.0441(15) Uani 1 1 d . . . . .
H35 H 0.5679 -0.0354 0.2334 0.053 Uiso 1 1 calc R . . . .
C39 C 0.5012(6) 0.5223(4) 0.8794(4) 0.0489(17) Uani 1 1 d . . . . .
H39 H 0.5376 0.5644 0.8861 0.059 Uiso 1 1 calc R . . . .
O4 O 0.6192(4) 0.2786(4) 1.0113(6) 0.109(3) Uani 1 1 d . . . . .
C4 C 0.0711(6) 0.5804(4) 0.5715(4) 0.0488(16) Uani 1 1 d . . . . .
H4 H 0.0182 0.6372 0.5789 0.059 Uiso 1 1 calc R . . . .
C48 C 0.4396(6) 0.1525(4) 1.0670(4) 0.0440(15) Uani 1 1 d . . . . .
H48 H 0.4905 0.1565 1.0955 0.053 Uiso 1 1 calc R . . . .
C46 C 0.0869(5) 0.3727(4) 1.0216(4) 0.0399(14) Uani 1 1 d . . . . .
H46 H 0.0632 0.3244 1.0101 0.048 Uiso 1 1 calc R . . . .
C52 C 0.2025(5) 0.1520(4) 0.9388(4) 0.0342(13) Uani 1 1 d . . . . .
C45 C 0.0155(5) 0.4274(5) 1.0937(4) 0.0454(16) Uani 1 1 d . . . . .
H45 H -0.0543 0.4161 1.1300 0.054 Uiso 1 1 calc R . . . .
C38 C 0.5559(6) 0.4588(4) 0.8135(4) 0.0449(16) Uani 1 1 d . . . . .
H38 H 0.6295 0.4577 0.7742 0.054 Uiso 1 1 calc R . . . .
C22 C 0.2201(5) 0.2244(4) 0.3753(4) 0.0321(12) Uani 1 1 d . . . . .
C7 C 0.2448(4) 0.3921(4) 0.6877(3) 0.0280(12) Uani 1 1 d . . . . .
C18 C 0.1937(6) 0.0606(5) 0.6205(4) 0.0506(17) Uani 1 1 d . . . . .
H18 H 0.1928 0.0234 0.6739 0.061 Uiso 1 1 calc R . . . .
C26 C 0.3238(5) 0.3224(4) 0.2769(4) 0.0400(14) Uani 1 1 d . . . . .
H26 H 0.3803 0.3537 0.2631 0.048 Uiso 1 1 calc R . . . .
C20 C 0.1159(5) 0.1256(4) 0.5010(5) 0.0462(16) Uani 1 1 d . . . . .
H20 H 0.0609 0.1333 0.4728 0.055 Uiso 1 1 calc R . . . .
C47 C 0.4177(5) 0.2166(4) 0.9992(3) 0.0352(13) Uani 1 1 d . . . . .
H47 H 0.4544 0.2640 0.9828 0.042 Uiso 1 1 calc R . . . .
C23 C 0.1616(5) 0.2294(4) 0.3142(4) 0.0433(15) Uani 1 1 d . . . . .
H23 H 0.1063 0.1970 0.3273 0.052 Uiso 1 1 calc R . . . .
C34 C 0.6611(6) 0.0573(4) 0.1806(4) 0.0510(17) Uani 1 1 d . . . . .
H34 H 0.7108 0.0262 0.1281 0.061 Uiso 1 1 calc R . . . .
C24 C 0.1866(6) 0.2832(5) 0.2337(4) 0.0518(18) Uani 1 1 d . . . . .
H24 H 0.1481 0.2873 0.1919 0.062 Uiso 1 1 calc R . . . .
C44 C 0.0498(6) 0.4987(5) 1.1107(4) 0.0490(17) Uani 1 1 d . . . . .
H44 H 0.0028 0.5373 1.1584 0.059 Uiso 1 1 calc R . . . .
C25 C 0.2672(6) 0.3303(5) 0.2156(4) 0.0502(17) Uani 1 1 d . . . . .
H25 H 0.2836 0.3675 0.1618 0.060 Uiso 1 1 calc R . . . .
C51 C 0.2870(5) 0.1470(4) 0.9841(4) 0.0343(13) Uani 1 1 d . . . . .
C43 C 0.1543(6) 0.5133(4) 1.0567(4) 0.0454(16) Uani 1 1 d . . . . .
H43 H 0.1785 0.5617 1.0675 0.054 Uiso 1 1 calc R . . . .
C53 C 0.1261(5) 0.0975(4) 0.9649(4) 0.0425(15) Uani 1 1 d . . . . .
H53 H 0.1265 0.0539 1.0137 0.051 Uiso 1 1 calc R . . . .
C19 C 0.1087(6) 0.0725(5) 0.5815(5) 0.0515(17) Uani 1 1 d . . . . .
H19 H 0.0484 0.0451 0.6092 0.062 Uiso 1 1 calc R . . . .
C3 C 0.1119(6) 0.5377(5) 0.4867(4) 0.0507(17) Uani 1 1 d . . . . .
H3 H 0.0857 0.5676 0.4386 0.061 Uiso 1 1 calc R . . . .
O8 O 0.9825(7) 0.1111(5) 0.3301(4) 0.116(3) Uani 1 1 d . . . . .
C55 C 0.0512(5) 0.1733(5) 0.8468(5) 0.0502(17) Uani 1 1 d . . . . .
H55 H 0.0017 0.1806 0.8133 0.060 Uiso 1 1 calc R . . . .
C49 C 0.3861(6) 0.0829(5) 1.0919(5) 0.0571(19) Uani 1 1 d . . . . .
H49 H 0.4020 0.0378 1.1361 0.069 Uiso 1 1 calc R . . . .
C54 C 0.0502(6) 0.1076(5) 0.9188(5) 0.0514(17) Uani 1 1 d . . . . .
H54 H -0.0013 0.0711 0.9356 0.062 Uiso 1 1 calc R . . . .
C50 C 0.3088(6) 0.0800(5) 1.0512(5) 0.0567(19) Uani 1 1 d . . . . .
H50 H 0.2708 0.0334 1.0685 0.068 Uiso 1 1 calc R . . . .
C33 C 0.6712(5) 0.1403(4) 0.1972(4) 0.0446(15) Uani 1 1 d . . . . .
H33 H 0.7290 0.1653 0.1561 0.053 Uiso 1 1 calc R . . . .
C56 C 0.1265(5) 0.2277(4) 0.8255(4) 0.0418(15) Uani 1 1 d . . . . .
H56 H 0.1257 0.2725 0.7778 0.050 Uiso 1 1 calc R . . . .
O9 O 0.9998(8) 0.2013(6) 0.1877(5) 0.147(4) Uani 1 1 d . . . . .
O10 O 1.0614(10) 0.0507(9) 0.1986(6) 0.257(8) Uani 1 1 d . . . . .
O7 O 0.8824(9) 0.1126(7) 0.2376(9) 0.253(7) Uani 1 1 d . . . . .
C57 C 0.2317(8) 0.7462(7) 0.5420(7) 0.105(3) Uani 1 1 d . . . . .
H57A H 0.1745 0.7855 0.5180 0.158 Uiso 1 1 calc GR . . . .
H57B H 0.2747 0.7825 0.5540 0.158 Uiso 1 1 calc GR . . . .
H57C H 0.1959 0.7151 0.5984 0.158 Uiso 1 1 calc GR . . . .
O3 O 0.7613(7) 0.2863(6) 0.8702(5) 0.134(3) Uani 1 1 d . . . . .
C58 C 0.3084(10) 0.6781(8) 0.4739(8) 0.102(3) Uani 1 1 d . . . . .
N11 N 0.3739(10) 0.6255(7) 0.4241(7) 0.135(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O2 2.036(3) . ?
Ru1 N6 2.047(4) . ?
Ru1 N5 2.058(4) . ?
Ru1 N1 2.077(4) . ?
Ru1 N4 2.031(4) . ?
Ru1 N3 2.060(4) . ?
Ru2 O1 2.068(3) . ?
Ru2 N2 2.095(4) . ?
Ru2 N8 2.060(4) . ?
Ru2 N7 2.055(4) . ?
Ru2 N9 2.033(4) . ?
Ru2 N10 2.064(4) . ?
Cl1 O5 1.432(5) . ?
Cl1 O6 1.411(5) . ?
Cl1 O4 1.407(6) . ?
Cl1 O3 1.422(7) . ?
Cl2 O8 1.459(6) . ?
Cl2 O9 1.378(6) . ?
Cl2 O10 1.311(9) . ?
Cl2 O7 1.279(7) . ?
O2 C10 1.274(6) . ?
N6 C36 1.362(7) . ?
N6 C32 1.360(7) . ?
O1 C7 1.279(6) . ?
N2 C16 1.391(7) . ?
N2 C9 1.378(6) . ?
N5 C31 1.364(7) . ?
N5 C27 1.359(7) . ?
N8 C42 1.350(7) . ?
N8 C46 1.340(7) . ?
N7 C41 1.371(7) . ?
N7 C37 1.335(7) . ?
N1 C8 1.387(6) . ?
N1 C1 1.391(7) . ?
N4 C22 1.359(7) . ?
N4 C26 1.351(7) . ?
N3 C21 1.355(7) . ?
N3 C17 1.330(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.408(7) . ?
C15 C14 1.388(8) . ?
C31 C30 1.388(7) . ?
C31 C32 1.466(7) . ?
N9 C47 1.352(7) . ?
N9 C51 1.356(7) . ?
C36 H36 0.9300 . ?
C36 C35 1.367(8) . ?
C16 C11 1.401(7) . ?
N10 C52 1.362(7) . ?
N10 C56 1.336(7) . ?
C30 H30 0.9300 . ?
C30 C29 1.372(8) . ?
C41 C40 1.383(8) . ?
C41 C42 1.471(8) . ?
C37 H37 0.9300 . ?
C37 C38 1.393(7) . ?
C8 C9 1.399(7) . ?
C8 C7 1.454(7) . ?
C40 H40 0.9300 . ?
C40 C39 1.373(9) . ?
C29 H29 0.9300 . ?
C29 C28 1.367(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.378(7) . ?
C12 H12 0.9300 . ?
C12 C11 1.402(7) . ?
C12 C13 1.372(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.400(8) . ?
C5 C4 1.349(8) . ?
C32 C33 1.368(8) . ?
C1 C2 1.399(7) . ?
C1 C6 1.412(7) . ?
C9 C10 1.449(7) . ?
C42 C43 1.400(8) . ?
C2 H2 0.9300 . ?
C2 C3 1.362(8) . ?
C11 C10 1.426(7) . ?
C6 C7 1.438(7) . ?
C21 C22 1.470(7) . ?
C21 C20 1.374(8) . ?
C28 H28 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.391(8) . ?
C14 H14 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.368(8) . ?
C35 H35 0.9300 . ?
C35 C34 1.375(8) . ?
C39 H39 0.9300 . ?
C39 C38 1.361(9) . ?
C4 H4 0.9300 . ?
C4 C3 1.406(8) . ?
C48 H48 0.9300 . ?
C48 C47 1.373(7) . ?
C48 C49 1.362(8) . ?
C46 H46 0.9300 . ?
C46 C45 1.376(8) . ?
C52 C51 1.470(8) . ?
C52 C53 1.383(7) . ?
C45 H45 0.9300 . ?
C45 C44 1.368(9) . ?
C38 H38 0.9300 . ?
C22 C23 1.383(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.387(9) . ?
C26 H26 0.9300 . ?
C26 C25 1.361(8) . ?
C20 H20 0.9300 . ?
C20 C19 1.371(9) . ?
C47 H47 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.377(9) . ?
C34 H34 0.9300 . ?
C34 C33 1.371(8) . ?
C24 H24 0.9300 . ?
C24 C25 1.354(9) . ?
C44 H44 0.9300 . ?
C44 C43 1.378(9) . ?
C25 H25 0.9300 . ?
C51 C50 1.390(8) . ?
C43 H43 0.9300 . ?
C53 H53 0.9300 . ?
C53 C54 1.366(8) . ?
C19 H19 0.9300 . ?
C3 H3 0.9300 . ?
C55 H55 0.9300 . ?
C55 C54 1.384(9) . ?
C55 C56 1.376(8) . ?
C49 H49 0.9300 . ?
C49 C50 1.366(8) . ?
C54 H54 0.9300 . ?
C50 H50 0.9300 . ?
C33 H33 0.9300 . ?
C56 H56 0.9300 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C57 C58 1.469(14) . ?
C58 N11 1.133(13) . ?

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
O2 Ru1 N6 85.66(15) . . ?
O2 Ru1 N5 87.15(15) . . ?
O2 Ru1 N1 90.13(15) . . ?
O2 Ru1 N3 96.23(15) . . ?
N6 Ru1 N5 78.80(17) . . ?
N6 Ru1 N1 172.25(16) . . ?
N6 Ru1 N3 99.66(17) . . ?
N5 Ru1 N1 94.52(16) . . ?
N5 Ru1 N3 176.19(16) . . ?
N4 Ru1 O2 167.92(16) . . ?
N4 Ru1 N6 84.20(17) . . ?
N4 Ru1 N5 97.28(17) . . ?
N4 Ru1 N1 100.67(17) . . ?
N4 Ru1 N3 79.06(17) . . ?
N3 Ru1 N1 87.25(16) . . ?
O1 Ru2 N2 89.27(15) . . ?
N8 Ru2 O1 87.31(15) . . ?
N8 Ru2 N2 173.67(16) . . ?
N8 Ru2 N10 95.02(18) . . ?
N7 Ru2 O1 88.19(15) . . ?
N7 Ru2 N2 95.15(17) . . ?
N7 Ru2 N8 79.43(18) . . ?
N7 Ru2 N10 173.58(17) . . ?
N9 Ru2 O1 170.61(16) . . ?
N9 Ru2 N2 97.89(17) . . ?
N9 Ru2 N8 86.11(17) . . ?
N9 Ru2 N7 97.16(17) . . ?
N9 Ru2 N10 79.12(17) . . ?
N10 Ru2 O1 94.82(16) . . ?
N10 Ru2 N2 90.57(16) . . ?
O6 Cl1 O5 109.2(3) . . ?
O6 Cl1 O3 111.4(4) . . ?
O4 Cl1 O5 108.1(4) . . ?
O4 Cl1 O6 110.5(4) . . ?
O4 Cl1 O3 110.2(5) . . ?
O3 Cl1 O5 107.3(4) . . ?
O9 Cl2 O8 115.1(4) . . ?
O10 Cl2 O8 100.7(6) . . ?
O10 Cl2 O9 110.0(7) . . ?
O7 Cl2 O8 109.1(6) . . ?
O7 Cl2 O9 110.3(5) . . ?
O7 Cl2 O10 111.3(10) . . ?
C10 O2 Ru1 127.2(3) . . ?
C36 N6 Ru1 126.1(4) . . ?
C32 N6 Ru1 116.0(3) . . ?
C32 N6 C36 117.8(5) . . ?
C7 O1 Ru2 125.4(3) . . ?
C16 N2 Ru2 131.1(3) . . ?
C9 N2 Ru2 123.2(3) . . ?
C9 N2 C16 105.7(4) . . ?
C31 N5 Ru1 115.7(3) . . ?
C27 N5 Ru1 125.8(4) . . ?
C27 N5 C31 118.5(5) . . ?
C42 N8 Ru2 115.5(4) . . ?
C46 N8 Ru2 127.0(4) . . ?
C46 N8 C42 117.5(5) . . ?
C41 N7 Ru2 114.6(4) . . ?
C37 N7 Ru2 126.1(4) . . ?
C37 N7 C41 119.4(5) . . ?
C8 N1 Ru1 124.6(4) . . ?
C8 N1 C1 105.4(4) . . ?
C1 N1 Ru1 129.9(3) . . ?
C22 N4 Ru1 115.9(3) . . ?
C26 N4 Ru1 125.1(4) . . ?
C26 N4 C22 117.7(5) . . ?
C21 N3 Ru1 115.2(3) . . ?
C17 N3 Ru1 126.3(4) . . ?
C17 N3 C21 118.2(5) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C14 C15 C16 118.3(5) . . ?
N5 C31 C30 121.0(5) . . ?
N5 C31 C32 114.5(5) . . ?
C30 C31 C32 124.4(5) . . ?
C47 N9 Ru2 125.8(4) . . ?
C47 N9 C51 118.0(4) . . ?
C51 N9 Ru2 116.0(3) . . ?
N6 C36 H36 118.8 . . ?
N6 C36 C35 122.5(5) . . ?
C35 C36 H36 118.8 . . ?
N2 C16 C15 129.3(5) . . ?
N2 C16 C11 112.5(4) . . ?
C11 C16 C15 118.0(5) . . ?
C52 N10 Ru2 115.0(3) . . ?
C56 N10 Ru2 126.7(4) . . ?
C56 N10 C52 117.9(5) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 C31 119.4(5) . . ?
C29 C30 H30 120.3 . . ?
N7 C41 C40 119.9(6) . . ?
N7 C41 C42 115.5(5) . . ?
C40 C41 C42 124.6(6) . . ?
N7 C37 H37 119.1 . . ?
N7 C37 C38 121.8(6) . . ?
C38 C37 H37 119.1 . . ?
N1 C8 C9 124.5(5) . . ?
N1 C8 C7 110.4(4) . . ?
C9 C8 C7 124.4(4) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 C41 120.2(6) . . ?
C39 C40 H40 119.9 . . ?
C30 C29 H29 120.1 . . ?
C28 C29 C30 119.8(5) . . ?
C28 C29 H29 120.1 . . ?
N5 C27 H27 119.1 . . ?
N5 C27 C28 121.7(5) . . ?
C28 C27 H27 119.1 . . ?
C11 C12 H12 120.9 . . ?
C13 C12 H12 120.9 . . ?
C13 C12 C11 118.2(5) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.7(5) . . ?
N6 C32 C31 114.9(5) . . ?
N6 C32 C33 120.9(5) . . ?
C33 C32 C31 124.1(5) . . ?
N1 C1 C2 128.7(5) . . ?
N1 C1 C6 113.0(4) . . ?
C2 C1 C6 118.2(5) . . ?
N2 C9 C8 125.0(5) . . ?
N2 C9 C10 109.8(4) . . ?
C8 C9 C10 124.7(4) . . ?
N8 C42 C41 115.0(5) . . ?
N8 C42 C43 121.7(5) . . ?
C43 C42 C41 123.3(5) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.0(5) . . ?
C3 C2 H2 120.5 . . ?
C16 C11 C12 122.8(5) . . ?
C16 C11 C10 105.3(5) . . ?
C12 C11 C10 131.9(5) . . ?
C5 C6 C1 121.7(5) . . ?
C5 C6 C7 133.2(5) . . ?
C1 C6 C7 105.1(5) . . ?
N3 C21 C22 114.5(4) . . ?
N3 C21 C20 121.2(5) . . ?
C20 C21 C22 124.3(5) . . ?
C29 C28 C27 119.5(5) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.8(5) . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 122.8(5) . . ?
C15 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
N3 C17 H17 118.4 . . ?
N3 C17 C18 123.3(5) . . ?
C18 C17 H17 118.4 . . ?
O2 C10 C9 127.0(5) . . ?
O2 C10 C11 126.5(5) . . ?
C11 C10 C9 106.5(4) . . ?
C36 C35 H35 120.4 . . ?
C36 C35 C34 119.2(6) . . ?
C34 C35 H35 120.4 . . ?
C40 C39 H39 120.2 . . ?
C38 C39 C40 119.6(6) . . ?
C38 C39 H39 120.2 . . ?
C5 C4 H4 119.9 . . ?
C5 C4 C3 120.2(6) . . ?
C3 C4 H4 119.9 . . ?
C47 C48 H48 120.4 . . ?
C49 C48 H48 120.4 . . ?
C49 C48 C47 119.3(6) . . ?
N8 C46 H46 118.0 . . ?
N8 C46 C45 124.0(6) . . ?
C45 C46 H46 118.0 . . ?
N10 C52 C51 114.3(4) . . ?
N10 C52 C53 121.3(5) . . ?
C53 C52 C51 124.3(5) . . ?
C46 C45 H45 120.9 . . ?
C44 C45 C46 118.2(6) . . ?
C44 C45 H45 120.9 . . ?
C37 C38 H38 120.5 . . ?
C39 C38 C37 119.1(6) . . ?
C39 C38 H38 120.5 . . ?
N4 C22 C21 114.4(4) . . ?
N4 C22 C23 121.3(5) . . ?
C23 C22 C21 124.3(5) . . ?
O1 C7 C8 127.2(5) . . ?
O1 C7 C6 126.7(5) . . ?
C6 C7 C8 106.1(4) . . ?
C17 C18 H18 120.7 . . ?
C17 C18 C19 118.7(6) . . ?
C19 C18 H18 120.7 . . ?
N4 C26 H26 118.6 . . ?
N4 C26 C25 122.9(6) . . ?
C25 C26 H26 118.6 . . ?
C21 C20 H20 119.9 . . ?
C19 C20 C21 120.2(6) . . ?
C19 C20 H20 119.9 . . ?
N9 C47 C48 122.5(5) . . ?
N9 C47 H47 118.7 . . ?
C48 C47 H47 118.7 . . ?
C22 C23 H23 120.5 . . ?
C24 C23 C22 119.0(6) . . ?
C24 C23 H23 120.5 . . ?
C35 C34 H34 120.6 . . ?
C33 C34 C35 118.7(6) . . ?
C33 C34 H34 120.6 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 119.9(6) . . ?
C25 C24 H24 120.0 . . ?
C45 C44 H44 120.1 . . ?
C45 C44 C43 119.8(6) . . ?
C43 C44 H44 120.1 . . ?
C26 C25 H25 120.4 . . ?
C24 C25 C26 119.2(6) . . ?
C24 C25 H25 120.4 . . ?
N9 C51 C52 115.1(5) . . ?
N9 C51 C50 120.8(5) . . ?
C50 C51 C52 124.0(5) . . ?
C42 C43 H43 120.6 . . ?
C44 C43 C42 118.7(6) . . ?
C44 C43 H43 120.6 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0(6) . . ?
C54 C53 H53 120.0 . . ?
C18 C19 H19 120.8 . . ?
C20 C19 C18 118.4(6) . . ?
C20 C19 H19 120.8 . . ?
C2 C3 C4 122.2(6) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C54 C55 H55 120.5 . . ?
C56 C55 H55 120.5 . . ?
C56 C55 C54 118.9(6) . . ?
C48 C49 H49 120.3 . . ?
C48 C49 C50 119.4(6) . . ?
C50 C49 H49 120.3 . . ?
C53 C54 C55 118.8(6) . . ?
C53 C54 H54 120.6 . . ?
C55 C54 H54 120.6 . . ?
C51 C50 H50 120.1 . . ?
C49 C50 C51 119.9(6) . . ?
C49 C50 H50 120.1 . . ?
C32 C33 C34 120.8(6) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
N10 C56 C55 123.0(6) . . ?
N10 C56 H56 118.5 . . ?
C55 C56 H56 118.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
N11 C58 C57 174.7(14) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2ClO43
_database_code_depnum_ccdc_archive 'CCDC 1517488'
_audit_update_record             
;
2017-02-15 deposited with the CCDC.
2017-04-03 downloaded from the CCDC.
;
_audit_creation_date             2016-11-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H40 N10 O2 Ru2, 3(Cl O4)'
_chemical_formula_sum            'C56 H40 Cl3 N10 O14 Ru2'
_chemical_formula_weight         1385.47
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.7946(3)
_cell_length_b                   18.2770(5)
_cell_length_c                   24.8597(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.716(3)
_cell_angle_gamma                90
_cell_volume                     5622.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15563
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2788
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0865
_diffrn_reflns_av_unetI/netI     0.0635
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            46890
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.229
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7774
_reflns_number_total             9740
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.191
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.129
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     766
_refine_ls_number_reflns         9740
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0561
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0588P)²+13.6236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1417
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C43(H43), C38(H38), C29(H29), C44(H44), C47(H47), C27(H27), C48(H48),
 C35(H35), C5(H5), C40(H40), C17(H17), C45(H45), C37(H37), C12(H12), C18(H18),
 C33(H33), C36(H36), C56(H56), C28(H28), C46(H46), C2(H2), C20(H20), C30(H30),
 C25(H25), C49(H49), C39(H39), C26(H26), C55(H55), C23(H23), C19(H19), C34(H34),
  C53(H53), C15(H15), C14(H14), C24(H24), C13(H13), C50(H50), C4(H4), C3(H3),
 C54(H54)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru2 Ru 0.20435(3) 0.60583(2) 0.87095(2) 0.02251(13) Uani 1 1 d . . . . .
Ru1 Ru 0.42251(3) 0.59615(2) 0.67210(2) 0.02586(13) Uani 1 1 d . . . . .
Cl1 Cl 0.57006(10) 0.44665(7) 0.86321(5) 0.0326(3) Uani 1 1 d . . . . .
Cl2 Cl -0.11076(12) 0.59803(9) 0.66925(6) 0.0468(4) Uani 1 1 d . . . . .
Cl3 Cl -0.05018(11) 0.74932(10) 0.98423(6) 0.0515(4) Uani 1 1 d . . . . .
O1 O 0.3566(3) 0.6447(2) 0.87511(15) 0.0333(9) Uani 1 1 d . . . . .
O2 O 0.3222(3) 0.5133(2) 0.68514(16) 0.0386(9) Uani 1 1 d . . . . .
N2 N 0.2114(3) 0.5481(2) 0.79913(18) 0.0332(10) Uani 1 1 d . . . . .
N8 N 0.2195(3) 0.6772(2) 0.93660(16) 0.0259(9) Uani 1 1 d . . . . .
N9 N 0.0583(3) 0.5706(2) 0.88092(18) 0.0300(10) Uani 1 1 d . . . . .
N10 N 0.2523(3) 0.5164(2) 0.92116(16) 0.0253(9) Uani 1 1 d . . . . .
N7 N 0.1434(3) 0.7011(2) 0.82922(17) 0.0277(10) Uani 1 1 d . . . . .
N5 N 0.5452(3) 0.5198(2) 0.68374(18) 0.0289(10) Uani 1 1 d . . . . .
C11 C 0.1886(4) 0.4625(3) 0.72832(19) 0.0230(11) Uani 1 1 d . . . . .
N3 N 0.3046(3) 0.6758(2) 0.65155(18) 0.0299(10) Uani 1 1 d . . . . .
N4 N 0.5085(3) 0.6810(2) 0.65098(17) 0.0291(10) Uani 1 1 d . . . . .
N1 N 0.4476(3) 0.6283(2) 0.75353(18) 0.0314(10) Uani 1 1 d . . . . .
O6 O 0.5675(4) 0.4285(3) 0.91895(17) 0.0595(13) Uani 1 1 d . . . . .
O14 O 0.0135(4) 0.8044(3) 1.0204(2) 0.0748(16) Uani 1 1 d . . . . .
O12 O 0.0032(3) 0.6790(3) 0.99236(19) 0.0593(13) Uani 1 1 d . . . . .
O10 O -0.1438(4) 0.6067(3) 0.71953(19) 0.0725(16) Uani 1 1 d . . . . .
N6 N 0.3960(3) 0.5518(3) 0.59324(18) 0.0325(10) Uani 1 1 d . . . . .
O7 O -0.0044(4) 0.5688(3) 0.6792(2) 0.0633(13) Uani 1 1 d . . . . .
O3 O 0.4639(3) 0.4408(3) 0.82756(19) 0.0604(13) Uani 1 1 d . . . . .
C9 C 0.2870(4) 0.5632(3) 0.76837(19) 0.0229(10) Uani 1 1 d . . . . .
C6 C 0.5083(4) 0.6823(3) 0.8416(2) 0.0271(11) Uani 1 1 d . . . . .
O13 O -0.1516(3) 0.7443(3) 0.9987(2) 0.0625(13) Uani 1 1 d . . . . .
O4 O 0.6044(4) 0.5211(2) 0.8614(2) 0.0615(13) Uani 1 1 d . . . . .
O11 O -0.0659(4) 0.7718(3) 0.9276(2) 0.0754(17) Uani 1 1 d . . . . .
C10 C 0.2724(4) 0.5125(3) 0.7220(2) 0.0354(13) Uani 1 1 d . . . . .
C8 C 0.3714(4) 0.6133(3) 0.7851(2) 0.0308(12) Uani 1 1 d . . . . .
C50 C -0.0288(4) 0.4848(3) 0.9295(2) 0.0375(14) Uani 1 1 d . . . . .
H43 H -0.0234 0.4464 0.9546 0.045 Uiso 1 1 calc R . . . .
O8 O -0.1065(4) 0.6703(3) 0.6448(2) 0.0700(15) Uani 1 1 d . . . . .
C55 C 0.3800(4) 0.4351(3) 0.9773(2) 0.0360(13) Uani 1 1 d . . . . .
H38 H 0.4512 0.4192 0.9892 0.043 Uiso 1 1 calc R . . . .
O5 O 0.6409(4) 0.3982(3) 0.8448(2) 0.0665(14) Uani 1 1 d . . . . .
C52 C 0.1726(4) 0.4834(3) 0.9409(2) 0.0284(11) Uani 1 1 d . . . . .
C51 C 0.0633(4) 0.5137(3) 0.9173(2) 0.0291(12) Uani 1 1 d . . . . .
C7 C 0.4056(4) 0.6474(3) 0.8384(2) 0.0316(12) Uani 1 1 d . . . . .
C29 C 0.7082(5) 0.4183(4) 0.6884(3) 0.0499(17) Uani 1 1 d . . . . .
H29 H 0.7639 0.3851 0.6898 0.060 Uiso 1 1 calc R . . . .
C49 C -0.1283(4) 0.5143(4) 0.9034(2) 0.0417(15) Uani 1 1 d . . . . .
H44 H -0.1911 0.4955 0.9104 0.050 Uiso 1 1 calc R . . . .
C46 C 0.2617(4) 0.6613(3) 0.9907(2) 0.0307(12) Uani 1 1 d . . . . .
H47 H 0.2710 0.6125 1.0013 0.037 Uiso 1 1 calc R . . . .
C27 C 0.6220(4) 0.5092(3) 0.7304(2) 0.0356(13) Uani 1 1 d . . . . .
H27 H 0.6201 0.5365 0.7617 0.043 Uiso 1 1 calc R . . . .
C45 C 0.2918(4) 0.7151(3) 1.0311(2) 0.0376(14) Uani 1 1 d . . . . .
H48 H 0.3204 0.7024 1.0682 0.045 Uiso 1 1 calc R . . . .
C35 C 0.2951(5) 0.5313(4) 0.4996(3) 0.0480(16) Uani 1 1 d . . . . .
H35 H 0.2394 0.5455 0.4695 0.058 Uiso 1 1 calc R . . . .
C5 C 0.5810(4) 0.7206(3) 0.8809(2) 0.0352(13) Uani 1 1 d . . . . .
H5 H 0.5653 0.7306 0.9146 0.042 Uiso 1 1 calc R . . . .
C53 C 0.1953(5) 0.4270(3) 0.9791(2) 0.0406(14) Uani 1 1 d . . . . .
H40 H 0.1404 0.4054 0.9919 0.049 Uiso 1 1 calc R . . . .
C17 C 0.1983(4) 0.6658(3) 0.6471(2) 0.0379(14) Uani 1 1 d . . . . .
H17 H 0.1731 0.6194 0.6526 0.045 Uiso 1 1 calc R . . . .
O9 O -0.1886(4) 0.5574(3) 0.6310(2) 0.0787(17) Uani 1 1 d . . . . .
C48 C -0.1339(4) 0.5708(3) 0.8673(3) 0.0424(15) Uani 1 1 d . . . . .
H45 H -0.2006 0.5910 0.8498 0.051 Uiso 1 1 calc R . . . .
C56 C 0.3526(4) 0.4908(3) 0.9388(2) 0.0281(11) Uani 1 1 d . . . . .
H37 H 0.4065 0.5113 0.9246 0.034 Uiso 1 1 calc R . . . .
C16 C 0.1531(4) 0.4878(3) 0.7738(2) 0.0331(12) Uani 1 1 d . . . . .
C12 C 0.1403(5) 0.4030(3) 0.6958(3) 0.0434(15) Uani 1 1 d . . . . .
H12 H 0.1658 0.3871 0.6660 0.052 Uiso 1 1 calc R . . . .
C18 C 0.1262(4) 0.7234(4) 0.6346(2) 0.0428(15) Uani 1 1 d . . . . .
H18 H 0.0529 0.7153 0.6307 0.051 Uiso 1 1 calc R . . . .
C32 C 0.4591(4) 0.4934(3) 0.5886(2) 0.0325(12) Uani 1 1 d . . . . .
C33 C 0.4389(5) 0.4518(4) 0.5403(2) 0.0413(15) Uani 1 1 d . . . . .
H33 H 0.4815 0.4111 0.5384 0.050 Uiso 1 1 calc R . . . .
C1 C 0.5283(4) 0.6673(3) 0.7872(2) 0.0358(13) Uani 1 1 d . . . . .
C36 C 0.3162(5) 0.5707(4) 0.5482(2) 0.0472(16) Uani 1 1 d . . . . .
H36 H 0.2743 0.6117 0.5503 0.057 Uiso 1 1 calc R . . . .
C41 C 0.1542(5) 0.7617(3) 0.8621(2) 0.0365(13) Uani 1 1 d . . . . .
C37 C 0.0930(4) 0.7074(3) 0.7756(2) 0.0373(13) Uani 1 1 d . . . . .
H56 H 0.0872 0.6664 0.7530 0.045 Uiso 1 1 calc R . . . .
C28 C 0.7054(5) 0.4585(3) 0.7343(3) 0.0424(15) Uani 1 1 d . . . . .
H28 H 0.7581 0.4523 0.7674 0.051 Uiso 1 1 calc R . . . .
C47 C -0.0391(4) 0.5989(3) 0.8564(3) 0.0403(14) Uani 1 1 d . . . . .
H46 H -0.0439 0.6378 0.8318 0.048 Uiso 1 1 calc R . . . .
C2 C 0.6269(5) 0.6918(3) 0.7795(3) 0.0431(15) Uani 1 1 d . . . . .
H2 H 0.6449 0.6828 0.7461 0.052 Uiso 1 1 calc R . . . .
C31 C 0.5462(4) 0.4781(3) 0.6382(2) 0.0328(12) Uani 1 1 d . . . . .
C20 C 0.2714(5) 0.8028(3) 0.6320(3) 0.0444(15) Uani 1 1 d . . . . .
H20 H 0.2974 0.8493 0.6277 0.053 Uiso 1 1 calc R . . . .
C42 C 0.2047(4) 0.7490(3) 0.9221(2) 0.0343(13) Uani 1 1 d . . . . .
C30 C 0.6281(5) 0.4271(4) 0.6402(3) 0.0447(15) Uani 1 1 d . . . . .
H30 H 0.6285 0.3991 0.6090 0.054 Uiso 1 1 calc R . . . .
C25 C 0.6672(4) 0.7411(4) 0.6395(3) 0.0436(15) Uani 1 1 d . . . . .
H25 H 0.7399 0.7382 0.6398 0.052 Uiso 1 1 calc R . . . .
C44 C 0.2786(5) 0.7873(4) 1.0157(2) 0.0499(17) Uani 1 1 d . . . . .
H49 H 0.2985 0.8243 1.0420 0.060 Uiso 1 1 calc R . . . .
C21 C 0.3410(4) 0.7433(3) 0.6422(2) 0.0322(12) Uani 1 1 d . . . . .
C54 C 0.3003(5) 0.4033(3) 0.9977(3) 0.0459(16) Uani 1 1 d . . . . .
H39 H 0.3174 0.3660 1.0239 0.055 Uiso 1 1 calc R . . . .
C26 C 0.6113(4) 0.6787(3) 0.6474(2) 0.0370(13) Uani 1 1 d . . . . .
H26 H 0.6462 0.6338 0.6503 0.044 Uiso 1 1 calc R . . . .
C38 C 0.0490(5) 0.7730(3) 0.7523(2) 0.0442(15) Uani 1 1 d . . . . .
H55 H 0.0105 0.7750 0.7152 0.053 Uiso 1 1 calc R . . . .
C23 C 0.5069(5) 0.8086(3) 0.6319(3) 0.0420(14) Uani 1 1 d . . . . .
H23 H 0.4692 0.8526 0.6252 0.050 Uiso 1 1 calc R . . . .
C19 C 0.1630(5) 0.7919(4) 0.6281(3) 0.0492(17) Uani 1 1 d . . . . .
H19 H 0.1152 0.8312 0.6210 0.059 Uiso 1 1 calc R . . . .
C34 C 0.3564(5) 0.4707(4) 0.4957(3) 0.0482(16) Uani 1 1 d . . . . .
H34 H 0.3421 0.4430 0.4632 0.058 Uiso 1 1 calc R . . . .
C22 C 0.4560(4) 0.7463(3) 0.6425(2) 0.0340(13) Uani 1 1 d . . . . .
C40 C 0.1169(5) 0.8291(4) 0.8406(2) 0.0496(16) Uani 1 1 d . . . . .
H53 H 0.1280 0.8704 0.8632 0.060 Uiso 1 1 calc R . . . .
C15 C 0.0648(5) 0.4529(3) 0.7862(2) 0.0397(14) Uani 1 1 d . . . . .
H15 H 0.0377 0.4685 0.8156 0.048 Uiso 1 1 calc R . . . .
C14 C 0.0189(5) 0.3942(3) 0.7532(2) 0.0435(15) Uani 1 1 d . . . . .
H14 H -0.0395 0.3704 0.7613 0.052 Uiso 1 1 calc R . . . .
C24 C 0.6150(5) 0.8059(4) 0.6314(3) 0.0485(16) Uani 1 1 d . . . . .
H24 H 0.6511 0.8482 0.6255 0.058 Uiso 1 1 calc R . . . .
C13 C 0.0558(5) 0.3693(4) 0.7087(3) 0.0485(16) Uani 1 1 d . . . . .
H13 H 0.0226 0.3296 0.6878 0.058 Uiso 1 1 calc R . . . .
C43 C 0.2355(5) 0.8039(3) 0.9607(2) 0.0490(16) Uani 1 1 d . . . . .
H50 H 0.2272 0.8526 0.9494 0.059 Uiso 1 1 calc R . . . .
C4 C 0.6744(5) 0.7443(3) 0.8725(3) 0.0485(16) Uani 1 1 d . . . . .
H4 H 0.7230 0.7702 0.9001 0.058 Uiso 1 1 calc R . . . .
C3 C 0.6982(5) 0.7299(3) 0.8221(3) 0.0472(16) Uani 1 1 d . . . . .
H3 H 0.7636 0.7461 0.8166 0.057 Uiso 1 1 calc R . . . .
C39 C 0.0626(5) 0.8346(4) 0.7847(2) 0.0520(17) Uani 1 1 d . . . . .
H54 H 0.0360 0.8794 0.7695 0.062 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru2 O1 2.051(4) . ?
Ru2 N2 2.095(5) . ?
Ru2 N8 2.060(4) . ?
Ru2 N9 2.051(4) . ?
Ru2 N10 2.053(4) . ?
Ru2 N7 2.075(4) . ?
Ru1 O2 2.063(4) . ?
Ru1 N5 2.065(4) . ?
Ru1 N3 2.065(4) . ?
Ru1 N4 2.046(4) . ?
Ru1 N1 2.053(4) . ?
Ru1 N6 2.068(4) . ?
Cl1 O6 1.434(4) . ?
Cl1 O3 1.424(4) . ?
Cl1 O4 1.435(5) . ?
Cl1 O5 1.423(4) . ?
Cl2 O10 1.427(5) . ?
Cl2 O7 1.424(5) . ?
Cl2 O8 1.461(5) . ?
Cl2 O9 1.403(5) . ?
Cl3 O14 1.455(5) . ?
Cl3 O12 1.446(5) . ?
Cl3 O13 1.434(5) . ?
Cl3 O11 1.431(5) . ?
O1 C7 1.233(6) . ?
O2 C10 1.242(6) . ?
N2 C9 1.405(6) . ?
N2 C16 1.390(7) . ?
N8 C46 1.347(6) . ?
N8 C42 1.360(7) . ?
N9 C51 1.368(7) . ?
N9 C47 1.343(7) . ?
N10 C52 1.378(6) . ?
N10 C56 1.332(6) . ?
N7 C41 1.362(7) . ?
N7 C37 1.329(6) . ?
N5 C27 1.331(7) . ?
N5 C31 1.368(7) . ?
C11 C10 1.448(7) . ?
C11 C16 1.400(7) . ?
C11 C12 1.401(8) . ?
N3 C17 1.349(6) . ?
N3 C21 1.360(7) . ?
N4 C26 1.341(6) . ?
N4 C22 1.359(7) . ?
N1 C8 1.425(7) . ?
N1 C1 1.355(7) . ?
N6 C32 1.360(7) . ?
N6 C36 1.355(7) . ?
C9 C10 1.453(7) . ?
C9 C8 1.397(7) . ?
C6 C7 1.444(7) . ?
C6 C5 1.359(7) . ?
C6 C1 1.464(8) . ?
C8 C7 1.428(8) . ?
C50 H43 0.9300 . ?
C50 C51 1.393(7) . ?
C50 C49 1.384(8) . ?
C55 H38 0.9300 . ?
C55 C56 1.379(7) . ?
C55 C54 1.377(8) . ?
C52 C51 1.480(7) . ?
C52 C53 1.381(7) . ?
C29 H29 0.9300 . ?
C29 C28 1.364(9) . ?
C29 C30 1.375(9) . ?
C49 H44 0.9300 . ?
C49 C48 1.357(9) . ?
C46 H47 0.9300 . ?
C46 C45 1.389(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.398(8) . ?
C45 H48 0.9300 . ?
C45 C44 1.373(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.372(9) . ?
C35 C34 1.376(9) . ?
C5 H5 0.9300 . ?
C5 C4 1.336(8) . ?
C53 H40 0.9300 . ?
C53 C54 1.376(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(8) . ?
C48 H45 0.9300 . ?
C48 C47 1.405(8) . ?
C56 H37 0.9300 . ?
C16 C15 1.398(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.351(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.362(9) . ?
C32 C33 1.387(8) . ?
C32 C31 1.464(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.367(9) . ?
C1 C2 1.398(7) . ?
C36 H36 0.9300 . ?
C41 C42 1.487(7) . ?
C41 C40 1.378(8) . ?
C37 H56 0.9300 . ?
C37 C38 1.387(8) . ?
C28 H28 0.9300 . ?
C47 H46 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.397(8) . ?
C31 C30 1.394(8) . ?
C20 H20 0.9300 . ?
C20 C21 1.387(8) . ?
C20 C19 1.380(8) . ?
C42 C43 1.375(8) . ?
C30 H30 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.385(8) . ?
C25 C24 1.350(9) . ?
C44 H49 0.9300 . ?
C44 C43 1.373(8) . ?
C21 C22 1.470(7) . ?
C54 H39 0.9300 . ?
C26 H26 0.9300 . ?
C38 H55 0.9300 . ?
C38 C39 1.369(8) . ?
C23 H23 0.9300 . ?
C23 C22 1.370(8) . ?
C23 C24 1.388(8) . ?
C19 H19 0.9300 . ?
C34 H34 0.9300 . ?
C40 H53 0.9300 . ?
C40 C39 1.391(8) . ?
C15 H15 0.9300 . ?
C15 C14 1.387(8) . ?
C14 H14 0.9300 . ?
C14 C13 1.385(9) . ?
C24 H24 0.9300 . ?
C13 H13 0.9300 . ?
C43 H50 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.386(9) . ?
C3 H3 0.9300 . ?
C39 H54 0.9300 . ?

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 Ru2 N2 88.37(16) . . ?
O1 Ru2 N8 81.00(15) . . ?
O1 Ru2 N9 170.31(16) . . ?
O1 Ru2 N10 96.42(15) . . ?
O1 Ru2 N7 88.05(15) . . ?
N8 Ru2 N2 168.04(17) . . ?
N8 Ru2 N7 79.17(16) . . ?
N9 Ru2 N2 100.51(17) . . ?
N9 Ru2 N8 90.49(16) . . ?
N9 Ru2 N10 79.45(17) . . ?
N9 Ru2 N7 94.94(17) . . ?
N10 Ru2 N2 92.66(16) . . ?
N10 Ru2 N8 93.96(16) . . ?
N10 Ru2 N7 171.16(15) . . ?
N7 Ru2 N2 95.09(16) . . ?
O2 Ru1 N5 87.89(15) . . ?
O2 Ru1 N3 96.43(16) . . ?
O2 Ru1 N6 84.40(16) . . ?
N5 Ru1 N6 78.67(17) . . ?
N3 Ru1 N5 173.00(16) . . ?
N3 Ru1 N6 96.22(18) . . ?
N4 Ru1 O2 173.38(16) . . ?
N4 Ru1 N5 96.25(16) . . ?
N4 Ru1 N3 78.96(16) . . ?
N4 Ru1 N1 94.40(18) . . ?
N4 Ru1 N6 91.34(17) . . ?
N1 Ru1 O2 90.15(17) . . ?
N1 Ru1 N5 97.59(17) . . ?
N1 Ru1 N3 87.93(17) . . ?
N1 Ru1 N6 173.48(18) . . ?
O6 Cl1 O4 109.4(3) . . ?
O3 Cl1 O6 109.4(3) . . ?
O3 Cl1 O4 107.6(3) . . ?
O5 Cl1 O6 109.8(3) . . ?
O5 Cl1 O3 109.7(3) . . ?
O5 Cl1 O4 110.8(3) . . ?
O10 Cl2 O8 108.4(3) . . ?
O7 Cl2 O10 111.8(3) . . ?
O7 Cl2 O8 106.1(3) . . ?
O9 Cl2 O10 109.5(3) . . ?
O9 Cl2 O7 113.7(3) . . ?
O9 Cl2 O8 107.0(3) . . ?
O12 Cl3 O14 111.0(3) . . ?
O13 Cl3 O14 106.8(3) . . ?
O13 Cl3 O12 109.5(3) . . ?
O11 Cl3 O14 109.1(3) . . ?
O11 Cl3 O12 109.6(3) . . ?
O11 Cl3 O13 110.7(3) . . ?
C7 O1 Ru2 129.2(4) . . ?
C10 O2 Ru1 125.5(4) . . ?
C9 N2 Ru2 123.3(3) . . ?
C16 N2 Ru2 130.7(4) . . ?
C16 N2 C9 105.9(4) . . ?
C46 N8 Ru2 125.9(4) . . ?
C46 N8 C42 117.8(4) . . ?
C42 N8 Ru2 115.0(3) . . ?
C51 N9 Ru2 115.3(3) . . ?
C47 N9 Ru2 126.4(4) . . ?
C47 N9 C51 118.3(5) . . ?
C52 N10 Ru2 115.6(3) . . ?
C56 N10 Ru2 126.5(3) . . ?
C56 N10 C52 117.8(4) . . ?
C41 N7 Ru2 114.5(3) . . ?
C37 N7 Ru2 126.8(4) . . ?
C37 N7 C41 118.7(5) . . ?
C27 N5 Ru1 126.0(4) . . ?
C27 N5 C31 118.7(5) . . ?
C31 N5 Ru1 115.3(3) . . ?
C16 C11 C10 106.3(4) . . ?
C16 C11 C12 122.4(5) . . ?
C12 C11 C10 131.1(5) . . ?
C17 N3 Ru1 125.7(4) . . ?
C17 N3 C21 119.3(5) . . ?
C21 N3 Ru1 115.0(3) . . ?
C26 N4 Ru1 126.4(4) . . ?
C26 N4 C22 118.1(5) . . ?
C22 N4 Ru1 115.4(3) . . ?
C8 N1 Ru1 122.1(4) . . ?
C1 N1 Ru1 131.6(4) . . ?
C1 N1 C8 106.3(4) . . ?
C32 N6 Ru1 115.5(3) . . ?
C36 N6 Ru1 126.2(4) . . ?
C36 N6 C32 117.9(5) . . ?
N2 C9 C10 109.8(4) . . ?
C8 C9 N2 123.6(5) . . ?
C8 C9 C10 126.1(5) . . ?
C7 C6 C1 103.7(4) . . ?
C5 C6 C7 135.6(5) . . ?
C5 C6 C1 120.8(5) . . ?
O2 C10 C11 128.3(5) . . ?
O2 C10 C9 126.3(5) . . ?
C11 C10 C9 105.4(4) . . ?
N1 C8 C7 109.6(4) . . ?
C9 C8 N1 123.1(5) . . ?
C9 C8 C7 126.5(5) . . ?
C51 C50 H43 120.7 . . ?
C49 C50 H43 120.7 . . ?
C49 C50 C51 118.6(6) . . ?
C56 C55 H38 120.5 . . ?
C54 C55 H38 120.5 . . ?
C54 C55 C56 119.0(5) . . ?
N10 C52 C51 113.9(4) . . ?
N10 C52 C53 121.8(5) . . ?
C53 C52 C51 124.4(5) . . ?
N9 C51 C50 122.2(5) . . ?
N9 C51 C52 115.3(4) . . ?
C50 C51 C52 122.5(5) . . ?
O1 C7 C6 127.2(5) . . ?
O1 C7 C8 125.1(5) . . ?
C8 C7 C6 107.7(5) . . ?
C28 C29 H29 120.2 . . ?
C28 C29 C30 119.6(5) . . ?
C30 C29 H29 120.2 . . ?
C50 C49 H44 120.2 . . ?
C48 C49 C50 119.6(5) . . ?
C48 C49 H44 120.2 . . ?
N8 C46 H47 118.8 . . ?
N8 C46 C45 122.4(5) . . ?
C45 C46 H47 118.8 . . ?
N5 C27 H27 118.7 . . ?
N5 C27 C28 122.6(5) . . ?
C28 C27 H27 118.7 . . ?
C46 C45 H48 120.4 . . ?
C44 C45 C46 119.1(5) . . ?
C44 C45 H48 120.4 . . ?
C36 C35 H35 120.1 . . ?
C36 C35 C34 119.8(6) . . ?
C34 C35 H35 120.1 . . ?
C6 C5 H5 119.0 . . ?
C4 C5 C6 122.1(6) . . ?
C4 C5 H5 119.0 . . ?
C52 C53 H40 120.6 . . ?
C54 C53 C52 118.9(5) . . ?
C54 C53 H40 120.6 . . ?
N3 C17 H17 119.4 . . ?
N3 C17 C18 121.2(6) . . ?
C18 C17 H17 119.4 . . ?
C49 C48 H45 119.9 . . ?
C49 C48 C47 120.2(6) . . ?
C47 C48 H45 119.9 . . ?
N10 C56 C55 122.9(5) . . ?
N10 C56 H37 118.6 . . ?
C55 C56 H37 118.6 . . ?
N2 C16 C11 112.4(5) . . ?
N2 C16 C15 129.3(5) . . ?
C15 C16 C11 118.3(5) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 118.6(6) . . ?
C13 C12 H12 120.7 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.7(5) . . ?
C19 C18 H18 120.1 . . ?
N6 C32 C33 121.3(5) . . ?
N6 C32 C31 114.7(5) . . ?
C33 C32 C31 124.0(5) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(6) . . ?
C34 C33 H33 120.0 . . ?
N1 C1 C6 112.7(4) . . ?
N1 C1 C2 131.0(5) . . ?
C2 C1 C6 116.3(5) . . ?
N6 C36 C35 122.1(6) . . ?
N6 C36 H36 118.9 . . ?
C35 C36 H36 118.9 . . ?
N7 C41 C42 115.2(5) . . ?
N7 C41 C40 121.5(5) . . ?
C40 C41 C42 123.3(5) . . ?
N7 C37 H56 118.8 . . ?
N7 C37 C38 122.4(5) . . ?
C38 C37 H56 118.8 . . ?
C29 C28 C27 118.8(6) . . ?
C29 C28 H28 120.6 . . ?
C27 C28 H28 120.6 . . ?
N9 C47 C48 121.2(6) . . ?
N9 C47 H46 119.4 . . ?
C48 C47 H46 119.4 . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.6(6) . . ?
C3 C2 H2 120.2 . . ?
N5 C31 C32 115.3(5) . . ?
N5 C31 C30 120.5(5) . . ?
C30 C31 C32 124.2(5) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.2(6) . . ?
N8 C42 C41 114.4(5) . . ?
N8 C42 C43 121.6(5) . . ?
C43 C42 C41 124.0(5) . . ?
C29 C30 C31 119.8(6) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C24 C25 C26 119.3(5) . . ?
C45 C44 H49 120.6 . . ?
C45 C44 C43 118.7(6) . . ?
C43 C44 H49 120.6 . . ?
N3 C21 C20 120.7(5) . . ?
N3 C21 C22 114.7(5) . . ?
C20 C21 C22 124.5(5) . . ?
C55 C54 H39 120.2 . . ?
C53 C54 C55 119.7(5) . . ?
C53 C54 H39 120.2 . . ?
N4 C26 C25 122.3(5) . . ?
N4 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C37 C38 H55 120.4 . . ?
C39 C38 C37 119.2(5) . . ?
C39 C38 H55 120.4 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.7(6) . . ?
C24 C23 H23 120.1 . . ?
C18 C19 C20 119.7(6) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C35 C34 H34 120.6 . . ?
C33 C34 C35 118.8(6) . . ?
C33 C34 H34 120.6 . . ?
N4 C22 C21 115.0(5) . . ?
N4 C22 C23 121.3(5) . . ?
C23 C22 C21 123.6(5) . . ?
C41 C40 H53 120.4 . . ?
C41 C40 C39 119.2(6) . . ?
C39 C40 H53 120.4 . . ?
C16 C15 H15 121.1 . . ?
C14 C15 C16 117.9(5) . . ?
C14 C15 H15 121.1 . . ?
C15 C14 H14 118.4 . . ?
C13 C14 C15 123.1(6) . . ?
C13 C14 H14 118.4 . . ?
C25 C24 C23 119.1(6) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C12 C13 C14 119.7(6) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C42 C43 H50 119.8 . . ?
C44 C43 C42 120.3(6) . . ?
C44 C43 H50 119.8 . . ?
C5 C4 H4 120.4 . . ?
C5 C4 C3 119.3(6) . . ?
C3 C4 H4 120.4 . . ?
C2 C3 H3 119.0 . . ?
C4 C3 C2 121.9(6) . . ?
C4 C3 H3 119.0 . . ?
C38 C39 C40 119.0(6) . . ?
C38 C39 H54 120.5 . . ?
C40 C39 H54 120.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru2 O1 C7 C6 172.9(4) . . . . ?
Ru2 O1 C7 C8 -9.7(8) . . . . ?
Ru2 N2 C9 C10 178.6(3) . . . . ?
Ru2 N2 C9 C8 6.2(7) . . . . ?
Ru2 N2 C16 C11 -175.5(3) . . . . ?
Ru2 N2 C16 C15 7.4(8) . . . . ?
Ru2 N8 C46 C45 165.0(4) . . . . ?
Ru2 N8 C42 C41 14.4(6) . . . . ?
Ru2 N8 C42 C43 -165.1(5) . . . . ?
Ru2 N9 C51 C50 178.5(4) . . . . ?
Ru2 N9 C51 C52 -3.8(5) . . . . ?
Ru2 N9 C47 C48 -178.8(4) . . . . ?
Ru2 N10 C52 C51 6.3(5) . . . . ?
Ru2 N10 C52 C53 -174.0(4) . . . . ?
Ru2 N10 C56 C55 172.9(4) . . . . ?
Ru2 N7 C41 C42 -1.6(6) . . . . ?
Ru2 N7 C41 C40 -179.5(5) . . . . ?
Ru2 N7 C37 C38 175.7(4) . . . . ?
Ru1 O2 C10 C11 169.5(4) . . . . ?
Ru1 O2 C10 C9 -10.4(7) . . . . ?
Ru1 N5 C27 C28 -177.0(4) . . . . ?
Ru1 N5 C31 C32 -0.9(6) . . . . ?
Ru1 N5 C31 C30 177.0(4) . . . . ?
Ru1 N3 C17 C18 178.1(4) . . . . ?
Ru1 N3 C21 C20 -175.4(4) . . . . ?
Ru1 N3 C21 C22 6.2(6) . . . . ?
Ru1 N4 C26 C25 -171.9(4) . . . . ?
Ru1 N4 C22 C21 -8.1(6) . . . . ?
Ru1 N4 C22 C23 175.4(4) . . . . ?
Ru1 N1 C8 C9 14.4(7) . . . . ?
Ru1 N1 C8 C7 -175.0(3) . . . . ?
Ru1 N1 C1 C6 175.4(3) . . . . ?
Ru1 N1 C1 C2 -7.9(9) . . . . ?
Ru1 N6 C32 C33 170.2(4) . . . . ?
Ru1 N6 C32 C31 -8.5(5) . . . . ?
Ru1 N6 C36 C35 -170.3(4) . . . . ?
N2 C9 C10 O2 176.1(5) . . . . ?
N2 C9 C10 C11 -3.8(5) . . . . ?
N2 C9 C8 N1 -179.9(4) . . . . ?
N2 C9 C8 C7 11.1(8) . . . . ?
N2 C16 C15 C14 178.3(5) . . . . ?
N8 C46 C45 C44 -0.2(8) . . . . ?
N8 C42 C43 C44 -2.6(10) . . . . ?
N10 C52 C51 N9 -1.6(6) . . . . ?
N10 C52 C51 C50 176.0(5) . . . . ?
N10 C52 C53 C54 0.0(9) . . . . ?
N7 C41 C42 N8 -8.4(7) . . . . ?
N7 C41 C42 C43 171.0(6) . . . . ?
N7 C41 C40 C39 3.1(10) . . . . ?
N7 C37 C38 C39 3.7(10) . . . . ?
N5 C27 C28 C29 -0.2(9) . . . . ?
N5 C31 C30 C29 0.4(9) . . . . ?
C11 C16 C15 C14 1.3(8) . . . . ?
C11 C12 C13 C14 0.2(9) . . . . ?
N3 C17 C18 C19 -1.8(9) . . . . ?
N3 C21 C22 N4 1.2(7) . . . . ?
N3 C21 C22 C23 177.6(5) . . . . ?
N1 C8 C7 O1 179.8(5) . . . . ?
N1 C8 C7 C6 -2.4(6) . . . . ?
N1 C1 C2 C3 -178.2(6) . . . . ?
N6 C32 C33 C34 2.1(8) . . . . ?
N6 C32 C31 N5 6.2(6) . . . . ?
N6 C32 C31 C30 -171.6(5) . . . . ?
C9 N2 C16 C11 0.7(6) . . . . ?
C9 N2 C16 C15 -176.4(5) . . . . ?
C9 C8 C7 O1 -10.0(9) . . . . ?
C9 C8 C7 C6 167.8(5) . . . . ?
C6 C5 C4 C3 0.4(9) . . . . ?
C6 C1 C2 C3 -1.5(8) . . . . ?
C10 C11 C16 N2 -3.1(6) . . . . ?
C10 C11 C16 C15 174.4(5) . . . . ?
C10 C11 C12 C13 -173.9(6) . . . . ?
C10 C9 C8 N1 8.9(8) . . . . ?
C10 C9 C8 C7 -160.1(5) . . . . ?
C8 N1 C1 C6 -2.0(6) . . . . ?
C8 N1 C1 C2 174.8(6) . . . . ?
C8 C9 C10 O2 -11.8(9) . . . . ?
C8 C9 C10 C11 168.4(5) . . . . ?
C50 C49 C48 C47 0.4(9) . . . . ?
C52 N10 C56 C55 -2.6(7) . . . . ?
C52 C53 C54 C55 -1.3(9) . . . . ?
C51 N9 C47 C48 -0.5(8) . . . . ?
C51 C50 C49 C48 -0.8(8) . . . . ?
C51 C52 C53 C54 179.6(5) . . . . ?
C7 C6 C5 C4 176.9(6) . . . . ?
C7 C6 C1 N1 0.6(6) . . . . ?
C7 C6 C1 C2 -176.7(5) . . . . ?
C49 C50 C51 N9 0.6(8) . . . . ?
C49 C50 C51 C52 -176.8(5) . . . . ?
C49 C48 C47 N9 0.3(9) . . . . ?
C46 N8 C42 C41 -177.9(4) . . . . ?
C46 N8 C42 C43 2.6(8) . . . . ?
C46 C45 C44 C43 0.3(9) . . . . ?
C27 N5 C31 C32 -179.9(4) . . . . ?
C27 N5 C31 C30 -2.0(7) . . . . ?
C45 C44 C43 C42 1.1(10) . . . . ?
C5 C6 C7 O1 -0.1(10) . . . . ?
C5 C6 C7 C8 -177.9(6) . . . . ?
C5 C6 C1 N1 179.7(5) . . . . ?
C5 C6 C1 C2 2.5(8) . . . . ?
C5 C4 C3 C2 0.6(10) . . . . ?
C53 C52 C51 N9 178.8(5) . . . . ?
C53 C52 C51 C50 -3.6(8) . . . . ?
C17 N3 C21 C20 4.4(8) . . . . ?
C17 N3 C21 C22 -174.0(5) . . . . ?
C17 C18 C19 C20 2.4(10) . . . . ?
C56 N10 C52 C51 -177.7(4) . . . . ?
C56 N10 C52 C53 1.9(7) . . . . ?
C56 C55 C54 C53 0.7(9) . . . . ?
C16 N2 C9 C10 2.0(5) . . . . ?
C16 N2 C9 C8 -170.4(5) . . . . ?
C16 C11 C10 O2 -175.8(5) . . . . ?
C16 C11 C10 C9 4.1(5) . . . . ?
C16 C11 C12 C13 0.5(9) . . . . ?
C16 C15 C14 C13 -0.5(9) . . . . ?
C12 C11 C10 O2 -0.7(9) . . . . ?
C12 C11 C10 C9 179.2(5) . . . . ?
C12 C11 C16 N2 -178.8(5) . . . . ?
C12 C11 C16 C15 -1.3(8) . . . . ?
C32 N6 C36 C35 2.6(8) . . . . ?
C32 C33 C34 C35 0.3(8) . . . . ?
C32 C31 C30 C29 178.1(6) . . . . ?
C33 C32 C31 N5 -172.5(5) . . . . ?
C33 C32 C31 C30 9.7(8) . . . . ?
C1 N1 C8 C9 -167.9(5) . . . . ?
C1 N1 C8 C7 2.7(6) . . . . ?
C1 C6 C7 O1 178.9(5) . . . . ?
C1 C6 C7 C8 1.1(5) . . . . ?
C1 C6 C5 C4 -1.9(8) . . . . ?
C1 C2 C3 C4 0.1(9) . . . . ?
C36 N6 C32 C33 -3.5(7) . . . . ?
C36 N6 C32 C31 177.7(5) . . . . ?
C36 C35 C34 C33 -1.2(9) . . . . ?
C41 N7 C37 C38 -1.5(8) . . . . ?
C41 C42 C43 C44 177.9(6) . . . . ?
C41 C40 C39 C38 -0.9(10) . . . . ?
C37 N7 C41 C42 176.0(5) . . . . ?
C37 N7 C41 C40 -1.9(8) . . . . ?
C37 C38 C39 C40 -2.4(10) . . . . ?
C28 C29 C30 C31 1.4(10) . . . . ?
C47 N9 C51 C50 0.0(7) . . . . ?
C47 N9 C51 C52 177.7(5) . . . . ?
C31 N5 C27 C28 1.9(8) . . . . ?
C31 C32 C33 C34 -179.2(5) . . . . ?
C20 C21 C22 N4 -177.2(5) . . . . ?
C20 C21 C22 C23 -0.7(9) . . . . ?
C42 N8 C46 C45 -1.2(7) . . . . ?
C42 C41 C40 C39 -174.6(6) . . . . ?
C30 C29 C28 C27 -1.5(10) . . . . ?
C21 N3 C17 C18 -1.6(8) . . . . ?
C21 C20 C19 C18 0.4(10) . . . . ?
C54 C55 C56 N10 1.3(9) . . . . ?
C26 N4 C22 C21 174.9(5) . . . . ?
C26 N4 C22 C23 -1.7(8) . . . . ?
C26 C25 C24 C23 0.9(10) . . . . ?
C19 C20 C21 N3 -3.8(9) . . . . ?
C19 C20 C21 C22 174.4(6) . . . . ?
C34 C35 C36 N6 -0.3(9) . . . . ?
C22 N4 C26 C25 4.8(8) . . . . ?
C22 C23 C24 C25 2.1(10) . . . . ?
C40 C41 C42 N8 169.5(6) . . . . ?
C40 C41 C42 C43 -11.1(10) . . . . ?
C15 C14 C13 C12 -0.2(10) . . . . ?
C24 C25 C26 N4 -4.5(9) . . . . ?
C24 C23 C22 N4 -1.8(9) . . . . ?
C24 C23 C22 C21 -178.0(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
