#------------------------------------------------------------------------------
#$Date: 2021-12-15 01:53:45 +0200 (Wed, 15 Dec 2021) $
#$Revision: 271418 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/90/7709076.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709076
loop_
_publ_author_name
'Miller-Clark, Lyndsy A.'
'Christ, Peter E.'
'Ren, Tong'
_publ_section_title
;
 Diruthenium aryl compounds -- tuning of electrochemical responses and
 solubility
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03957A
_journal_year                    2022
_chemical_formula_moiety         'C59 H59 N8 O9 Ru2'
_chemical_formula_sum            'C59 H59 N8 O9 Ru2'
_chemical_formula_weight         1226.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-11-19 deposited with the CCDC.	2021-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.676(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.7861(9)
_cell_length_b                   15.6582(6)
_cell_length_c                   17.0761(7)
_cell_measurement_reflns_used    9096
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.2912
_cell_measurement_theta_min      2.7720
_cell_volume                     5461.6(4)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'Apex3 v2019.11-0 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_structure_refinement
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev1183 (Hübschle et al., 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 7.4074
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
Bruker AXS D8 Quest diffractometer with PhotonII charge-integrating pixel 
array detector (CPAD)
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'Triumph curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            231309
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.337
_diffrn_reflns_theta_min         2.381
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D. (2015). J. Appl. Cryst. 48 3-10.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       plate
_exptl_crystal_F_000             2516
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.708
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         13586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0301
_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)+(0.0179P)²+8.7335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0729
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11731
_reflns_number_total             13586
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03957a2.cif
_cod_data_source_block           LAM_1_39
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7709076
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.886
_shelx_estimated_absorpt_t_max   0.970
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.15883(2) 0.58787(2) 0.38915(2) 0.01493(4) Uani 1 1 d . . . . .
O1 O 0.44997(10) 0.57897(16) 0.16851(15) 0.0536(6) Uani 1 1 d . . . . .
N1 N 0.08909(8) 0.51282(11) 0.31088(10) 0.0175(3) Uani 1 1 d . . . . .
C1 C 0.02520(11) 0.50699(14) 0.31777(13) 0.0224(4) Uani 1 1 d . . . . .
H1 H 0.013132 0.528948 0.364861 0.027 Uiso 1 1 calc R U . . .
Ru2 Ru 0.23914(2) 0.51698(2) 0.33468(2) 0.01540(4) Uani 1 1 d . . . . .
N2 N 0.17065(9) 0.48320(12) 0.23836(10) 0.0194(3) Uani 1 1 d . . . . .
C2 C -0.02303(12) 0.47171(17) 0.26166(15) 0.0301(5) Uani 1 1 d . . . . .
H2 H -0.066997 0.469404 0.269764 0.036 Uiso 1 1 calc R U . . .
O3 O 0.49720(8) 0.38174(12) 0.41090(11) 0.0350(4) Uani 1 1 d . . . . .
N3 N 0.23564(8) 0.66142(11) 0.45515(10) 0.0178(3) Uani 1 1 d . . . . .
C3 C -0.00596(12) 0.43923(17) 0.19223(15) 0.0316(5) Uani 1 1 d . . . . .
H3 H -0.038314 0.414841 0.151818 0.038 Uiso 1 1 calc R U . . .
O4 O 0.42528(9) 0.39235(13) 0.65352(11) 0.0375(4) Uani 1 1 d . . . . .
N4 N 0.30631(8) 0.55380(12) 0.43034(10) 0.0188(3) Uani 1 1 d . . . . .
C4 C 0.05798(12) 0.44294(16) 0.18312(14) 0.0275(5) Uani 1 1 d . . . . .
H4 H 0.070155 0.420252 0.136360 0.033 Uiso 1 1 calc R U . . .
O5 O 0.31018(10) 0.34070(13) 0.08043(11) 0.0390(4) Uani 1 1 d . . . . .
N5 N 0.25362(9) 0.62955(12) 0.27924(10) 0.0208(4) Uani 1 1 d . . . . .
C5 C 0.10644(10) 0.48048(13) 0.24302(12) 0.0194(4) Uani 1 1 d . . . . .
O6 O 0.16361(9) 0.56018(12) -0.03425(9) 0.0299(4) Uani 1 1 d . . . . .
N6 N 0.14978(9) 0.67154(11) 0.29346(10) 0.0192(3) Uani 1 1 d . . . . .
C6 C 0.19088(10) 0.47009(14) 0.16435(12) 0.0207(4) Uani 1 1 d . . . . .
O7 O 0.13724(8) 0.15089(11) 0.25634(11) 0.0299(4) Uani 1 1 d . . . . .
N7 N 0.17873(9) 0.49518(11) 0.48023(10) 0.0183(3) Uani 1 1 d . . . . .
C7 C 0.16704(11) 0.52045(15) 0.09834(13) 0.0227(4) Uani 1 1 d . . . . .
H7 H 0.134926 0.562945 0.101167 0.027 Uiso 1 1 calc R U . . .
O8 O 0.35682(9) 0.15307(12) 0.37865(12) 0.0371(4) Uani 1 1 d . . . . .
N8 N 0.22278(9) 0.40863(11) 0.39412(10) 0.0182(3) Uani 1 1 d . . . . .
C8 C 0.19076(11) 0.50800(15) 0.02769(13) 0.0238(4) Uani 1 1 d . . . . .
O9 O -0.06006(9) 0.76178(13) 0.55826(11) 0.0364(4) Uani 1 1 d . . . . .
C9 C 0.18783(14) 0.55265(19) -0.10700(14) 0.0361(6) Uani 1 1 d . . . . .
H9A H 0.176936 0.496045 -0.130172 0.054 Uiso 1 1 calc R U . . .
H9B H 0.235471 0.560098 -0.096217 0.054 Uiso 1 1 calc R U . . .
H9C H 0.167704 0.596656 -0.144489 0.054 Uiso 1 1 calc R U . . .
C10 C 0.23857(12) 0.44739(16) 0.02301(13) 0.0275(5) Uani 1 1 d . . . . .
H10 H 0.254651 0.439422 -0.025049 0.033 Uiso 1 1 calc R U . . .
C11 C 0.26257(12) 0.39832(16) 0.09036(14) 0.0278(5) Uani 1 1 d . . . . .
C12 C 0.23904(11) 0.40798(15) 0.16072(13) 0.0247(4) Uani 1 1 d . . . . .
H12 H 0.255196 0.373217 0.205664 0.030 Uiso 1 1 calc R U . . .
C13 C 0.33703(15) 0.28899(19) 0.14678(18) 0.0425(7) Uani 1 1 d . . . . .
H13A H 0.302559 0.252886 0.161320 0.064 Uiso 1 1 calc R U . . .
H13B H 0.355356 0.325571 0.191996 0.064 Uiso 1 1 calc R U . . .
H13C H 0.371694 0.252824 0.132821 0.064 Uiso 1 1 calc R U . . .
C14 C 0.35858(10) 0.49979(13) 0.46419(13) 0.0200(4) Uani 1 1 d . . . . .
C15 C 0.40202(10) 0.47021(14) 0.41735(13) 0.0225(4) Uani 1 1 d . . . . .
H15 H 0.397903 0.487572 0.363343 0.027 Uiso 1 1 calc R U . . .
C16 C 0.45173(11) 0.41451(15) 0.45151(15) 0.0262(5) Uani 1 1 d . . . . .
C17 C 0.49217(14) 0.4055(2) 0.32970(17) 0.0410(6) Uani 1 1 d . . . . .
H17A H 0.528482 0.380218 0.308422 0.062 Uiso 1 1 calc R U . . .
H17B H 0.494040 0.467876 0.325651 0.062 Uiso 1 1 calc R U . . .
H17C H 0.450517 0.384896 0.299016 0.062 Uiso 1 1 calc R U . . .
C18 C 0.45863(11) 0.38921(15) 0.53037(15) 0.0286(5) Uani 1 1 d . . . . .
H18 H 0.492935 0.351584 0.552970 0.034 Uiso 1 1 calc R U . . .
C19 C 0.41476(11) 0.41957(15) 0.57589(14) 0.0266(5) Uani 1 1 d . . . . .
C20 C 0.36392(11) 0.47411(15) 0.54326(13) 0.0236(4) Uani 1 1 d . . . . .
H20 H 0.333379 0.493492 0.574380 0.028 Uiso 1 1 calc R U . . .
C21 C 0.38398(16) 0.4270(2) 0.70403(16) 0.0454(7) Uani 1 1 d . . . . .
H21A H 0.387786 0.489431 0.705054 0.068 Uiso 1 1 calc R U . . .
H21B H 0.397442 0.404557 0.758150 0.068 Uiso 1 1 calc R U . . .
H21C H 0.338431 0.410878 0.683469 0.068 Uiso 1 1 calc R U . . .
C22 C 0.29734(10) 0.62731(14) 0.46856(12) 0.0192(4) Uani 1 1 d . . . . .
C23 C 0.34991(11) 0.67088(15) 0.51762(14) 0.0252(5) Uani 1 1 d . . . . .
H23 H 0.392098 0.645433 0.529100 0.030 Uiso 1 1 calc R U . . .
C24 C 0.33980(12) 0.74927(16) 0.54825(14) 0.0289(5) Uani 1 1 d . . . . .
H24 H 0.374904 0.778812 0.580620 0.035 Uiso 1 1 calc R U . . .
C25 C 0.27753(12) 0.78553(16) 0.53160(15) 0.0294(5) Uani 1 1 d . . . . .
H25 H 0.269625 0.840491 0.551399 0.035 Uiso 1 1 calc R U . . .
C26 C 0.22771(11) 0.73982(14) 0.48576(14) 0.0242(4) Uani 1 1 d . . . . .
H26 H 0.185297 0.764674 0.474942 0.029 Uiso 1 1 calc R U . . .
C27 C 0.08295(10) 0.65038(13) 0.44251(11) 0.0170(4) Uani 1 1 d . . . . .
C28 C 0.06900(11) 0.73725(15) 0.43685(13) 0.0232(4) Uani 1 1 d . . . . .
H28 H 0.092639 0.771429 0.405947 0.028 Uiso 1 1 calc R U . . .
C29 C 0.02238(11) 0.77769(15) 0.47370(14) 0.0260(5) Uani 1 1 d . . . . .
H29 H 0.016023 0.837668 0.468815 0.031 Uiso 1 1 calc R U . . .
C30 C -0.01424(11) 0.72967(16) 0.51718(13) 0.0268(5) Uani 1 1 d . . . . .
C31 C -0.00432(12) 0.64171(15) 0.52304(13) 0.0260(5) Uani 1 1 d . . . . .
H31 H -0.030382 0.607579 0.550983 0.031 Uiso 1 1 calc R U . . .
C32 C 0.04369(11) 0.60416(15) 0.48797(13) 0.0236(4) Uani 1 1 d . . . . .
H32 H 0.050767 0.544450 0.494611 0.028 Uiso 1 1 calc R U . . .
C33 C -0.0714(2) 0.8512(2) 0.5539(2) 0.0713(13) Uani 1 1 d . . . . .
H33A H -0.090547 0.867033 0.499001 0.107 Uiso 1 1 calc R U . . .
H33B H -0.029914 0.881533 0.570518 0.107 Uiso 1 1 calc R U . . .
H33C H -0.101739 0.866794 0.589233 0.107 Uiso 1 1 calc R U . . .
C34 C 0.31695(11) 0.65372(16) 0.26705(13) 0.0260(5) Uani 1 1 d . . . . .
C35 C 0.34593(13) 0.72685(19) 0.30398(16) 0.0364(6) Uani 1 1 d . . . . .
H35 H 0.322833 0.762293 0.334494 0.044 Uiso 1 1 calc R U . . .
C36 C 0.40947(15) 0.7472(2) 0.29540(17) 0.0449(7) Uani 1 1 d . . . . .
C37 C 0.4082(3) 0.8736(3) 0.3740(3) 0.111(2) Uani 1 1 d . . . . .
H37A H 0.435100 0.923967 0.391063 0.166 Uiso 1 1 calc R U . . .
H37B H 0.398635 0.843594 0.420903 0.166 Uiso 1 1 calc R U . . .
H37C H 0.367085 0.891407 0.340055 0.166 Uiso 1 1 calc R U . . .
C38 C 0.44333(13) 0.6959(2) 0.25088(17) 0.0425(7) Uani 1 1 d . . . . .
H38 H 0.486773 0.710159 0.245722 0.051 Uiso 1 1 calc R U . . .
C39 C 0.41356(12) 0.62392(19) 0.21403(17) 0.0365(6) Uani 1 1 d . . . . .
C40 C 0.41910(19) 0.5095(3) 0.1238(3) 0.0651(11) Uani 1 1 d . . . . .
H40A H 0.379574 0.529584 0.088044 0.098 Uiso 1 1 calc R U . . .
H40B H 0.407119 0.466241 0.160011 0.098 Uiso 1 1 calc R U . . .
H40C H 0.449189 0.484412 0.092213 0.098 Uiso 1 1 calc R U . . .
C41 C 0.34981(11) 0.60147(17) 0.22182(15) 0.0298(5) Uani 1 1 d . . . . .
H41 H 0.329536 0.551665 0.196730 0.036 Uiso 1 1 calc R U . . .
C42 C 0.20258(11) 0.68368(14) 0.25775(13) 0.0223(4) Uani 1 1 d . . . . .
C43 C 0.19846(13) 0.74498(18) 0.19593(15) 0.0349(6) Uani 1 1 d . . . . .
H43 H 0.236306 0.759406 0.174960 0.042 Uiso 1 1 calc R U . . .
C44 C 0.13977(15) 0.78333(19) 0.16653(17) 0.0410(7) Uani 1 1 d . . . . .
H44 H 0.136482 0.822226 0.123270 0.049 Uiso 1 1 calc R U . . .
C45 C 0.08488(13) 0.76567(17) 0.19965(15) 0.0331(5) Uani 1 1 d . . . . .
H45 H 0.043706 0.791170 0.179293 0.040 Uiso 1 1 calc R U . . .
C46 C 0.09239(11) 0.71033(14) 0.26250(13) 0.0231(4) Uani 1 1 d . . . . .
H46 H 0.055301 0.698344 0.285848 0.028 Uiso 1 1 calc R U . . .
C47 C 0.17107(12) 0.51100(15) 0.55614(13) 0.0267(5) Uani 1 1 d . . . . .
H47 H 0.161196 0.567726 0.569710 0.032 Uiso 1 1 calc R U . . .
C48 C 0.17679(14) 0.44980(17) 0.61415(14) 0.0327(6) Uani 1 1 d . . . . .
H48 H 0.171651 0.463703 0.666790 0.039 Uiso 1 1 calc R U . . .
C49 C 0.19047(13) 0.36588(16) 0.59361(14) 0.0317(5) Uani 1 1 d . . . . .
H49 H 0.191049 0.320995 0.631162 0.038 Uiso 1 1 calc R U . . .
C50 C 0.20289(12) 0.34908(14) 0.51982(14) 0.0255(5) Uani 1 1 d . . . . .
H50 H 0.212703 0.292455 0.505872 0.031 Uiso 1 1 calc R U . . .
C51 C 0.20120(10) 0.41618(13) 0.46349(12) 0.0191(4) Uani 1 1 d . . . . .
C52 C 0.23280(10) 0.32403(13) 0.36737(12) 0.0191(4) Uani 1 1 d . . . . .
C53 C 0.29408(11) 0.28459(14) 0.38670(13) 0.0232(4) Uani 1 1 d . . . . .
H53 H 0.330609 0.314292 0.416017 0.028 Uiso 1 1 calc R U . . .
C54 C 0.30027(11) 0.20034(15) 0.36179(14) 0.0250(4) Uani 1 1 d . . . . .
C55 C 0.41273(14) 0.1918(2) 0.4261(2) 0.0520(9) Uani 1 1 d . . . . .
H55A H 0.449585 0.151776 0.432942 0.078 Uiso 1 1 calc R U . . .
H55B H 0.402897 0.206718 0.478322 0.078 Uiso 1 1 calc R U . . .
H55C H 0.424213 0.243641 0.399543 0.078 Uiso 1 1 calc R U . . .
C56 C 0.24735(11) 0.15786(14) 0.31674(13) 0.0243(4) Uani 1 1 d . . . . .
H56 H 0.252426 0.101359 0.298554 0.029 Uiso 1 1 calc R U . . .
C57 C 0.18731(11) 0.19820(14) 0.29850(12) 0.0217(4) Uani 1 1 d . . . . .
C58 C 0.17946(11) 0.28169(14) 0.32348(13) 0.0217(4) Uani 1 1 d . . . . .
H58 H 0.138112 0.309202 0.310611 0.026 Uiso 1 1 calc R U . . .
C59 C 0.07990(13) 0.19656(19) 0.2210(2) 0.0453(7) Uani 1 1 d . . . . .
H59A H 0.092396 0.247201 0.193609 0.068 Uiso 1 1 calc R U . . .
H59B H 0.055884 0.214201 0.262574 0.068 Uiso 1 1 calc R U . . .
H59C H 0.051967 0.159682 0.182559 0.068 Uiso 1 1 calc R U . . .
O2 O 0.44290(13) 0.81760(19) 0.33005(16) 0.0720(8) Uani 1 1 d . . . . .
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N6 Ru1 N7 172.14(7) . . ?
N6 Ru1 N3 91.44(7) . . ?
N7 Ru1 N3 87.49(7) . . ?
N6 Ru1 N1 84.40(7) . . ?
N7 Ru1 N1 95.77(7) . . ?
N3 Ru1 N1 172.50(7) . . ?
N6 Ru1 C27 94.48(7) . . ?
N7 Ru1 C27 93.36(7) . . ?
N3 Ru1 C27 93.75(7) . . ?
N1 Ru1 C27 92.79(7) . . ?
N6 Ru1 Ru2 87.34(5) . . ?
N7 Ru1 Ru2 84.82(5) . . ?
N3 Ru1 Ru2 86.92(5) . . ?
N1 Ru1 Ru2 86.65(5) . . ?
C27 Ru1 Ru2 178.03(6) . . ?
C39 O1 C40 117.2(2) . . ?
C1 N1 C5 117.55(18) . . ?
C1 N1 Ru1 123.00(14) . . ?
C5 N1 Ru1 118.55(14) . . ?
N1 C1 C2 124.6(2) . . ?
N1 C1 H1 117.7 . . ?
C2 C1 H1 117.7 . . ?
N4 Ru2 N2 178.47(7) . . ?
N4 Ru2 N8 89.37(7) . . ?
N2 Ru2 N8 91.71(7) . . ?
N4 Ru2 N5 89.40(7) . . ?
N2 Ru2 N5 89.47(7) . . ?
N8 Ru2 N5 177.01(7) . . ?
N4 Ru2 Ru1 88.87(5) . . ?
N2 Ru2 Ru1 90.04(5) . . ?
N8 Ru2 Ru1 89.99(5) . . ?
N5 Ru2 Ru1 87.26(5) . . ?
C5 N2 C6 120.43(17) . . ?
C5 N2 Ru2 120.72(14) . . ?
C6 N2 Ru2 118.61(14) . . ?
C1 C2 C3 118.3(2) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C16 O3 C17 117.5(2) . . ?
C26 N3 C22 117.75(18) . . ?
C26 N3 Ru1 124.36(15) . . ?
C22 N3 Ru1 117.89(14) . . ?
C4 C3 C2 119.1(2) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C19 O4 C21 117.3(2) . . ?
C22 N4 C14 118.42(17) . . ?
C22 N4 Ru2 119.67(14) . . ?
C14 N4 Ru2 121.48(14) . . ?
C3 C4 C5 120.6(2) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C11 O5 C13 117.5(2) . . ?
C42 N5 C34 119.60(19) . . ?
C42 N5 Ru2 119.26(14) . . ?
C34 N5 Ru2 121.05(15) . . ?
N2 C5 N1 117.03(18) . . ?
N2 C5 C4 123.07(19) . . ?
N1 C5 C4 119.85(19) . . ?
C8 O6 C9 117.39(19) . . ?
C46 N6 C42 119.08(18) . . ?
C46 N6 Ru1 122.32(15) . . ?
C42 N6 Ru1 118.48(14) . . ?
C7 C6 C12 120.5(2) . . ?
C7 C6 N2 121.4(2) . . ?
C12 C6 N2 118.07(19) . . ?
C57 O7 C59 116.49(19) . . ?
C47 N7 C51 117.93(18) . . ?
C47 N7 Ru1 122.43(15) . . ?
C51 N7 Ru1 119.63(13) . . ?
C6 C7 C8 119.4(2) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C54 O8 C55 117.8(2) . . ?
C51 N8 C52 117.02(17) . . ?
C51 N8 Ru2 118.58(14) . . ?
C52 N8 Ru2 124.40(13) . . ?
O6 C8 C10 124.0(2) . . ?
O6 C8 C7 114.9(2) . . ?
C10 C8 C7 121.0(2) . . ?
C30 O9 C33 117.2(2) . . ?
O6 C9 H9A 109.5 . . ?
O6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 C11 118.7(2) . . ?
C8 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
O5 C11 C12 123.8(2) . . ?
O5 C11 C10 114.6(2) . . ?
C12 C11 C10 121.6(2) . . ?
C11 C12 C6 118.8(2) . . ?
C11 C12 H12 120.6 . . ?
C6 C12 H12 120.6 . . ?
O5 C13 H13A 109.5 . . ?
O5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C20 121.1(2) . . ?
C15 C14 N4 119.70(19) . . ?
C20 C14 N4 119.10(19) . . ?
C14 C15 C16 118.5(2) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 H15 120.8 . . ?
O3 C16 C18 115.3(2) . . ?
O3 C16 C15 123.3(2) . . ?
C18 C16 C15 121.4(2) . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 C19 119.1(2) . . ?
C16 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
O4 C19 C18 115.6(2) . . ?
O4 C19 C20 123.4(2) . . ?
C18 C19 C20 121.0(2) . . ?
C19 C20 C14 118.9(2) . . ?
C19 C20 H20 120.6 . . ?
C14 C20 H20 120.6 . . ?
O4 C21 H21A 109.5 . . ?
O4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N4 C22 N3 117.37(18) . . ?
N4 C22 C23 122.20(19) . . ?
N3 C22 C23 120.35(19) . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 119.4(2) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 118.4(2) . . ?
C26 C25 H25 120.8 . . ?
C24 C25 H25 120.8 . . ?
N3 C26 C25 123.9(2) . . ?
N3 C26 H26 118.1 . . ?
C25 C26 H26 118.1 . . ?
C28 C27 C32 113.70(19) . . ?
C28 C27 Ru1 124.38(15) . . ?
C32 C27 Ru1 121.92(15) . . ?
C27 C28 C29 124.3(2) . . ?
C27 C28 H28 117.8 . . ?
C29 C28 H28 117.8 . . ?
C30 C29 C28 119.5(2) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
O9 C30 C29 125.2(2) . . ?
O9 C30 C31 115.5(2) . . ?
C29 C30 C31 119.2(2) . . ?
C32 C31 C30 119.8(2) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C27 123.4(2) . . ?
C31 C32 H32 118.3 . . ?
C27 C32 H32 118.3 . . ?
O9 C33 H33A 109.5 . . ?
O9 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O9 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C41 C34 C35 121.4(2) . . ?
C41 C34 N5 119.3(2) . . ?
C35 C34 N5 119.2(2) . . ?
C34 C35 C36 118.7(3) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
O2 C36 C38 115.7(3) . . ?
O2 C36 C35 123.4(3) . . ?
C38 C36 C35 120.9(3) . . ?
O2 C37 H37A 109.5 . . ?
O2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C36 119.6(2) . . ?
C39 C38 H38 120.2 . . ?
C36 C38 H38 120.2 . . ?
O1 C39 C38 115.4(2) . . ?
O1 C39 C41 123.7(3) . . ?
C38 C39 C41 120.9(3) . . ?
O1 C40 H40A 109.5 . . ?
O1 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
O1 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C34 C41 C39 118.5(3) . . ?
C34 C41 H41 120.8 . . ?
C39 C41 H41 120.8 . . ?
N5 C42 N6 116.51(19) . . ?
N5 C42 C43 124.2(2) . . ?
N6 C42 C43 119.0(2) . . ?
C44 C43 C42 119.8(2) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C43 C44 C45 120.4(2) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 117.5(2) . . ?
C46 C45 H45 121.2 . . ?
C44 C45 H45 121.2 . . ?
N6 C46 C45 123.7(2) . . ?
N6 C46 H46 118.1 . . ?
C45 C46 H46 118.1 . . ?
N7 C47 C48 123.6(2) . . ?
N7 C47 H47 118.2 . . ?
C48 C47 H47 118.2 . . ?
C47 C48 C49 118.0(2) . . ?
C47 C48 H48 121.0 . . ?
C49 C48 H48 121.0 . . ?
C50 C49 C48 119.7(2) . . ?
C50 C49 H49 120.1 . . ?
C48 C49 H49 120.1 . . ?
C49 C50 C51 120.0(2) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
N8 C51 N7 116.37(18) . . ?
N8 C51 C50 124.06(19) . . ?
N7 C51 C50 119.52(19) . . ?
C58 C52 C53 121.2(2) . . ?
C58 C52 N8 117.82(19) . . ?
C53 C52 N8 120.93(19) . . ?
C52 C53 C54 118.4(2) . . ?
C52 C53 H53 120.8 . . ?
C54 C53 H53 120.8 . . ?
O8 C54 C56 114.7(2) . . ?
O8 C54 C53 124.6(2) . . ?
C56 C54 C53 120.8(2) . . ?
O8 C55 H55A 109.5 . . ?
O8 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O8 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C54 119.7(2) . . ?
C57 C56 H56 120.2 . . ?
C54 C56 H56 120.2 . . ?
O7 C57 C56 116.0(2) . . ?
O7 C57 C58 123.2(2) . . ?
C56 C57 C58 120.8(2) . . ?
C52 C58 C57 119.1(2) . . ?
C52 C58 H58 120.4 . . ?
C57 C58 H58 120.4 . . ?
O7 C59 H59A 109.5 . . ?
O7 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O7 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C36 O2 C37 116.9(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N6 2.0756(17) . ?
Ru1 N7 2.1114(17) . ?
Ru1 N3 2.1164(17) . ?
Ru1 N1 2.1332(17) . ?
Ru1 C27 2.193(2) . ?
Ru1 Ru2 2.3365(2) . ?
O1 C39 1.375(3) . ?
O1 C40 1.414(5) . ?
N1 C1 1.358(3) . ?
N1 C5 1.373(3) . ?
C1 C2 1.368(3) . ?
C1 H1 0.9500 . ?
Ru2 N4 2.0260(17) . ?
Ru2 N2 2.0357(17) . ?
Ru2 N8 2.0376(17) . ?
Ru2 N5 2.0492(18) . ?
N2 C5 1.352(3) . ?
N2 C6 1.419(3) . ?
C2 C3 1.395(3) . ?
C2 H2 0.9500 . ?
O3 C16 1.371(3) . ?
O3 C17 1.421(3) . ?
N3 C26 1.356(3) . ?
N3 C22 1.369(3) . ?
C3 C4 1.368(3) . ?
C3 H3 0.9500 . ?
O4 C19 1.371(3) . ?
O4 C21 1.432(4) . ?
N4 C22 1.353(3) . ?
N4 C14 1.413(3) . ?
C4 C5 1.423(3) . ?
C4 H4 0.9500 . ?
O5 C11 1.373(3) . ?
O5 C13 1.420(3) . ?
N5 C42 1.354(3) . ?
N5 C34 1.422(3) . ?
O6 C8 1.372(3) . ?
O6 C9 1.429(3) . ?
N6 C46 1.356(3) . ?
N6 C42 1.364(3) . ?
C6 C7 1.390(3) . ?
C6 C12 1.405(3) . ?
O7 C57 1.368(3) . ?
O7 C59 1.425(3) . ?
N7 C47 1.358(3) . ?
N7 C51 1.371(3) . ?
C7 C8 1.399(3) . ?
C7 H7 0.9500 . ?
O8 C54 1.374(3) . ?
O8 C55 1.423(3) . ?
N8 C51 1.347(3) . ?
N8 C52 1.429(3) . ?
C8 C10 1.387(3) . ?
O9 C30 1.378(3) . ?
O9 C33 1.420(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.396(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(3) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.392(3) . ?
C14 C20 1.393(3) . ?
C15 C16 1.395(3) . ?
C15 H15 0.9500 . ?
C16 C18 1.385(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.387(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(3) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.422(3) . ?
C23 C24 1.366(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.377(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.390(3) . ?
C27 C32 1.424(3) . ?
C28 C29 1.401(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.380(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.393(3) . ?
C31 C32 1.386(3) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C41 1.389(4) . ?
C34 C35 1.390(4) . ?
C35 C36 1.392(4) . ?
C35 H35 0.9500 . ?
C36 O2 1.377(4) . ?
C36 C38 1.384(5) . ?
C37 O2 1.432(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.380(4) . ?
C38 H38 0.9500 . ?
C39 C41 1.401(3) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41 0.9500 . ?
C42 C43 1.418(3) . ?
C43 C44 1.369(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.392(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.366(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.367(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.403(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.358(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.420(3) . ?
C50 H50 0.9500 . ?
C52 C58 1.387(3) . ?
C52 C53 1.399(3) . ?
C53 C54 1.399(3) . ?
C53 H53 0.9500 . ?
C54 C56 1.389(3) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.382(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.394(3) . ?
C58 H58 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
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
C5 N1 C1 C2 -0.5(3) . . . . ?
Ru1 N1 C1 C2 168.51(19) . . . . ?
N1 C1 C2 C3 0.0(4) . . . . ?
C1 C2 C3 C4 0.7(4) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C6 N2 C5 N1 -165.24(19) . . . . ?
Ru2 N2 C5 N1 9.0(3) . . . . ?
C6 N2 C5 C4 17.5(3) . . . . ?
Ru2 N2 C5 C4 -168.27(18) . . . . ?
C1 N1 C5 N2 -177.15(19) . . . . ?
Ru1 N1 C5 N2 13.4(2) . . . . ?
C1 N1 C5 C4 0.2(3) . . . . ?
Ru1 N1 C5 C4 -169.23(17) . . . . ?
C3 C4 C5 N2 177.6(2) . . . . ?
C3 C4 C5 N1 0.4(4) . . . . ?
C5 N2 C6 C7 56.6(3) . . . . ?
Ru2 N2 C6 C7 -117.80(19) . . . . ?
C5 N2 C6 C12 -127.3(2) . . . . ?
Ru2 N2 C6 C12 58.3(2) . . . . ?
C12 C6 C7 C8 0.9(3) . . . . ?
N2 C6 C7 C8 176.9(2) . . . . ?
C9 O6 C8 C10 -1.9(3) . . . . ?
C9 O6 C8 C7 177.6(2) . . . . ?
C6 C7 C8 O6 179.3(2) . . . . ?
C6 C7 C8 C10 -1.3(3) . . . . ?
O6 C8 C10 C11 179.7(2) . . . . ?
C7 C8 C10 C11 0.3(4) . . . . ?
C13 O5 C11 C12 -0.7(4) . . . . ?
C13 O5 C11 C10 179.7(2) . . . . ?
C8 C10 C11 O5 -179.3(2) . . . . ?
C8 C10 C11 C12 1.0(4) . . . . ?
O5 C11 C12 C6 179.0(2) . . . . ?
C10 C11 C12 C6 -1.4(4) . . . . ?
C7 C6 C12 C11 0.4(3) . . . . ?
N2 C6 C12 C11 -175.7(2) . . . . ?
C22 N4 C14 C15 -129.6(2) . . . . ?
Ru2 N4 C14 C15 57.9(2) . . . . ?
C22 N4 C14 C20 53.2(3) . . . . ?
Ru2 N4 C14 C20 -119.28(19) . . . . ?
C20 C14 C15 C16 -0.5(3) . . . . ?
N4 C14 C15 C16 -177.7(2) . . . . ?
C17 O3 C16 C18 179.8(2) . . . . ?
C17 O3 C16 C15 -0.8(3) . . . . ?
C14 C15 C16 O3 -179.8(2) . . . . ?
C14 C15 C16 C18 -0.5(3) . . . . ?
O3 C16 C18 C19 179.9(2) . . . . ?
C15 C16 C18 C19 0.5(4) . . . . ?
C21 O4 C19 C18 175.6(2) . . . . ?
C21 O4 C19 C20 -4.3(4) . . . . ?
C16 C18 C19 O4 -179.3(2) . . . . ?
C16 C18 C19 C20 0.6(4) . . . . ?
O4 C19 C20 C14 178.3(2) . . . . ?
C18 C19 C20 C14 -1.6(3) . . . . ?
C15 C14 C20 C19 1.6(3) . . . . ?
N4 C14 C20 C19 178.8(2) . . . . ?
C14 N4 C22 N3 -155.13(19) . . . . ?
Ru2 N4 C22 N3 17.5(3) . . . . ?
C14 N4 C22 C23 28.2(3) . . . . ?
Ru2 N4 C22 C23 -159.19(17) . . . . ?
C26 N3 C22 N4 -172.57(19) . . . . ?
Ru1 N3 C22 N4 8.1(2) . . . . ?
C26 N3 C22 C23 4.2(3) . . . . ?
Ru1 N3 C22 C23 -175.17(16) . . . . ?
N4 C22 C23 C24 173.1(2) . . . . ?
N3 C22 C23 C24 -3.5(3) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C23 C24 C25 C26 1.3(4) . . . . ?
C22 N3 C26 C25 -2.3(3) . . . . ?
Ru1 N3 C26 C25 177.02(19) . . . . ?
C24 C25 C26 N3 -0.5(4) . . . . ?
C32 C27 C28 C29 1.8(3) . . . . ?
Ru1 C27 C28 C29 -177.24(17) . . . . ?
C27 C28 C29 C30 -1.9(4) . . . . ?
C33 O9 C30 C29 1.5(4) . . . . ?
C33 O9 C30 C31 179.8(3) . . . . ?
C28 C29 C30 O9 177.9(2) . . . . ?
C28 C29 C30 C31 -0.4(3) . . . . ?
O9 C30 C31 C32 -176.0(2) . . . . ?
C29 C30 C31 C32 2.5(3) . . . . ?
C30 C31 C32 C27 -2.5(3) . . . . ?
C28 C27 C32 C31 0.4(3) . . . . ?
Ru1 C27 C32 C31 179.48(17) . . . . ?
C42 N5 C34 C41 -123.4(2) . . . . ?
Ru2 N5 C34 C41 60.1(3) . . . . ?
C42 N5 C34 C35 59.8(3) . . . . ?
Ru2 N5 C34 C35 -116.7(2) . . . . ?
C41 C34 C35 C36 -0.4(4) . . . . ?
N5 C34 C35 C36 176.3(2) . . . . ?
C34 C35 C36 O2 -179.4(3) . . . . ?
C34 C35 C36 C38 0.1(4) . . . . ?
O2 C36 C38 C39 180.0(3) . . . . ?
C35 C36 C38 C39 0.4(4) . . . . ?
C40 O1 C39 C38 -174.2(3) . . . . ?
C40 O1 C39 C41 3.9(4) . . . . ?
C36 C38 C39 O1 177.4(3) . . . . ?
C36 C38 C39 C41 -0.8(4) . . . . ?
C35 C34 C41 C39 0.1(4) . . . . ?
N5 C34 C41 C39 -176.6(2) . . . . ?
O1 C39 C41 C34 -177.6(2) . . . . ?
C38 C39 C41 C34 0.5(4) . . . . ?
C34 N5 C42 N6 -158.9(2) . . . . ?
Ru2 N5 C42 N6 17.7(3) . . . . ?
C34 N5 C42 C43 27.7(3) . . . . ?
Ru2 N5 C42 C43 -155.8(2) . . . . ?
C46 N6 C42 N5 -165.7(2) . . . . ?
Ru1 N6 C42 N5 10.5(3) . . . . ?
C46 N6 C42 C43 8.1(3) . . . . ?
Ru1 N6 C42 C43 -175.73(18) . . . . ?
N5 C42 C43 C44 165.4(3) . . . . ?
N6 C42 C43 C44 -7.8(4) . . . . ?
C42 C43 C44 C45 3.2(5) . . . . ?
C43 C44 C45 C46 1.0(4) . . . . ?
C42 N6 C46 C45 -4.1(3) . . . . ?
Ru1 N6 C46 C45 179.97(19) . . . . ?
C44 C45 C46 N6 -0.6(4) . . . . ?
C51 N7 C47 C48 -8.3(4) . . . . ?
Ru1 N7 C47 C48 172.7(2) . . . . ?
N7 C47 C48 C49 -0.9(4) . . . . ?
C47 C48 C49 C50 5.4(4) . . . . ?
C48 C49 C50 C51 -0.8(4) . . . . ?
C52 N8 C51 N7 -166.70(18) . . . . ?
Ru2 N8 C51 N7 13.4(2) . . . . ?
C52 N8 C51 C50 15.7(3) . . . . ?
Ru2 N8 C51 C50 -164.11(17) . . . . ?
C47 N7 C51 N8 -164.9(2) . . . . ?
Ru1 N7 C51 N8 14.1(3) . . . . ?
C47 N7 C51 C50 12.7(3) . . . . ?
Ru1 N7 C51 C50 -168.23(16) . . . . ?
C49 C50 C51 N8 169.0(2) . . . . ?
C49 C50 C51 N7 -8.5(3) . . . . ?
C51 N8 C52 C58 85.8(2) . . . . ?
Ru2 N8 C52 C58 -94.4(2) . . . . ?
C51 N8 C52 C53 -92.6(2) . . . . ?
Ru2 N8 C52 C53 87.2(2) . . . . ?
C58 C52 C53 C54 -1.1(3) . . . . ?
N8 C52 C53 C54 177.26(19) . . . . ?
C55 O8 C54 C56 -178.7(3) . . . . ?
C55 O8 C54 C53 1.3(4) . . . . ?
C52 C53 C54 O8 -177.9(2) . . . . ?
C52 C53 C54 C56 2.1(3) . . . . ?
O8 C54 C56 C57 177.8(2) . . . . ?
C53 C54 C56 C57 -2.2(3) . . . . ?
C59 O7 C57 C56 -165.6(2) . . . . ?
C59 O7 C57 C58 15.4(3) . . . . ?
C54 C56 C57 O7 -177.8(2) . . . . ?
C54 C56 C57 C58 1.2(3) . . . . ?
C53 C52 C58 C57 0.2(3) . . . . ?
N8 C52 C58 C57 -178.21(19) . . . . ?
O7 C57 C58 C52 178.7(2) . . . . ?
C56 C57 C58 C52 -0.2(3) . . . . ?
C38 C36 O2 C37 177.7(4) . . . . ?
C35 C36 O2 C37 -2.7(5) . . . . ?
