#------------------------------------------------------------------------------
#$Date: 2021-12-15 01:53:45 +0200 (Wed, 15 Dec 2021) $
#$Revision: 271418 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/90/7709073.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_7709073
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         'C60 H61 N8 O10 Ru2, C4 H8 O2'
_chemical_formula_sum            'C64 H69 N8 O12 Ru2'
_chemical_formula_weight         1344.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-11-19 deposited with the CCDC.	2021-12-09 downloaded from the CCDC.
;
_cell_angle_alpha                108.3490(19)
_cell_angle_beta                 91.745(2)
_cell_angle_gamma                92.703(2)
_cell_formula_units_Z            2
_cell_length_a                   12.3210(4)
_cell_length_b                   12.9177(5)
_cell_length_c                   19.6606(7)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.0698
_cell_measurement_theta_min      2.2892
_cell_volume                     2963.37(19)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'Apex3 v2019.1-0 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_structure_refinement
;  
SHELXL-2018/3 (Sheldrick, 2015a, 2018), 
SHELXLE Rev1117 (Hübschle et al., 2011)
;
_computing_structure_solution    'SHELXM (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 0.995
_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  0.0624
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            126265
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.215
_diffrn_reflns_theta_min         2.324
_diffrn_source                   'fine focus sealed tube X-ray source'
_diffrn_source_current           '30 mA'
_diffrn_source_voltage           '50 kV'
_exptl_absorpt_coefficient_mu    0.581
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_description       plate
_exptl_crystal_F_000             1386
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.192
_refine_diff_density_min         -0.877
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     787
_refine_ls_number_reflns         22582
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0333P)²+2.2329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0858
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17207
_reflns_number_total             22582
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03957a2.cif
_cod_data_source_block           LAM_1_37_0m
_cod_database_code               7709073
_shelx_shelxl_version_number     2018/1
_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   0.950
_shelx_estimated_absorpt_t_max   0.994
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.26877(2) 0.26127(2) 0.09145(2) 0.01249(3) Uani 1 1 d . . . . .
Ru2 Ru 0.22065(2) 0.32205(2) 0.21123(2) 0.01217(3) Uani 1 1 d . . . . .
O1 O 0.33456(14) -0.02618(12) -0.18447(8) 0.0281(3) Uani 1 1 d . . . . .
O2 O 0.47069(14) 0.33020(12) -0.14212(8) 0.0285(3) Uani 1 1 d . . . . .
O3 O 0.17743(12) 0.66787(13) 0.45682(7) 0.0269(3) Uani 1 1 d . . . . .
O4 O 0.51871(12) 0.74380(12) 0.37069(8) 0.0253(3) Uani 1 1 d . . . . .
O5 O -0.09113(16) 0.45657(14) 0.40723(8) 0.0372(4) Uani 1 1 d . . . . .
O6 O -0.14375(14) 0.65367(13) 0.24243(8) 0.0319(3) Uani 1 1 d . . . . .
O7 O 0.12061(14) 0.19369(14) 0.44976(8) 0.0331(4) Uani 1 1 d . . . . .
O8 O -0.11739(13) -0.03317(14) 0.25271(8) 0.0335(4) Uani 1 1 d . . . . .
O9 O 0.36350(13) 0.46273(12) 0.49796(7) 0.0245(3) Uani 1 1 d . . . . .
O10 O 0.51274(13) 0.11721(12) 0.39651(7) 0.0250(3) Uani 1 1 d . . . . .
O11 O 0.20152(13) 0.92513(13) 0.41117(8) 0.0303(3) Uani 1 1 d . . . . .
O12 O 0.24706(16) 0.86567(15) 0.29612(9) 0.0409(4) Uani 1 1 d . . . . .
N1 N 0.22828(12) 0.41926(12) 0.08977(8) 0.0159(3) Uani 1 1 d . . . . .
N2 N 0.24983(12) 0.48035(12) 0.21351(8) 0.0156(3) Uani 1 1 d . . . . .
N3 N 0.10127(12) 0.21869(12) 0.06344(8) 0.0167(3) Uani 1 1 d . . . . .
N4 N 0.06307(12) 0.32582(12) 0.17828(8) 0.0161(3) Uani 1 1 d . . . . .
N5 N 0.29988(12) 0.11150(12) 0.10727(8) 0.0149(3) Uani 1 1 d . . . . .
N6 N 0.19471(12) 0.16289(12) 0.20708(8) 0.0161(3) Uani 1 1 d . . . . .
N7 N 0.43461(12) 0.30632(12) 0.12999(8) 0.0150(3) Uani 1 1 d . . . . .
N8 N 0.37769(12) 0.32094(12) 0.24412(7) 0.0153(3) Uani 1 1 d . . . . .
C1 C 0.31554(13) 0.21279(14) -0.02121(9) 0.0140(3) Uani 1 1 d . . . . .
C2 C 0.36955(15) 0.29121(15) -0.04660(9) 0.0188(3) Uani 1 1 d . . . . .
H2 H 0.376661 0.365530 -0.017244 0.023 Uiso 1 1 calc R U . . .
C3 C 0.41258(16) 0.26051(16) -0.11443(10) 0.0196(3) Uani 1 1 d . . . . .
C4 C 0.39972(16) 0.15387(16) -0.15962(10) 0.0210(4) Uani 1 1 d . . . . .
H4 H 0.428842 0.133695 -0.205854 0.025 Uiso 1 1 calc R U . . .
C5 C 0.34356(16) 0.07701(15) -0.13618(10) 0.0198(3) Uani 1 1 d . . . . .
C6 C 0.30348(15) 0.10575(15) -0.06736(9) 0.0181(3) Uani 1 1 d . . . . .
H6 H 0.267329 0.051240 -0.051782 0.022 Uiso 1 1 calc R U . . .
C7 C 0.2654(2) -0.10525(18) -0.16764(13) 0.0355(5) Uani 1 1 d . . . . .
H7A H 0.257577 -0.172127 -0.208926 0.053 Uiso 1 1 calc R U . . .
H7B H 0.193729 -0.076254 -0.156177 0.053 Uiso 1 1 calc R U . . .
H7C H 0.297192 -0.121792 -0.126221 0.053 Uiso 1 1 calc R U . . .
C8 C 0.5005(2) 0.43574(19) -0.09555(13) 0.0393(6) Uani 1 1 d . . . . .
H8A H 0.541911 0.476787 -0.121415 0.059 Uiso 1 1 calc R U . . .
H8B H 0.545437 0.430442 -0.054922 0.059 Uiso 1 1 calc R U . . .
H8C H 0.434868 0.473531 -0.077850 0.059 Uiso 1 1 calc R U . . .
C9 C 0.18934(16) 0.43766(16) 0.02942(10) 0.0206(3) Uani 1 1 d . . . . .
H9 H 0.177588 0.376888 -0.012996 0.025 Uiso 1 1 calc R U . . .
C10 C 0.16604(19) 0.53880(17) 0.02620(11) 0.0274(4) Uani 1 1 d . . . . .
H10 H 0.137364 0.547554 -0.016926 0.033 Uiso 1 1 calc R U . . .
C11 C 0.18577(19) 0.62930(17) 0.08855(11) 0.0273(4) Uani 1 1 d . . . . .
H11 H 0.175142 0.701024 0.087238 0.033 Uiso 1 1 calc R U . . .
C12 C 0.22032(17) 0.61328(15) 0.15097(10) 0.0219(4) Uani 1 1 d . . . . .
H12 H 0.234431 0.673955 0.193193 0.026 Uiso 1 1 calc R U . . .
C13 C 0.23510(14) 0.50558(14) 0.15256(9) 0.0158(3) Uani 1 1 d . . . . .
C14 C 0.28154(15) 0.56308(14) 0.27925(9) 0.0162(3) Uani 1 1 d . . . . .
C15 C 0.38533(15) 0.61588(15) 0.28800(9) 0.0177(3) Uani 1 1 d . . . . .
H15 H 0.432165 0.602423 0.249037 0.021 Uiso 1 1 calc R U . . .
C16 C 0.41833(15) 0.68857(15) 0.35512(10) 0.0184(3) Uani 1 1 d . . . . .
C17 C 0.35094(16) 0.70887(15) 0.41300(10) 0.0200(3) Uani 1 1 d . . . . .
H17 H 0.374745 0.758682 0.458438 0.024 Uiso 1 1 calc R U . . .
C18 C 0.24916(16) 0.65557(15) 0.40333(10) 0.0192(3) Uani 1 1 d . . . . .
C19 C 0.21288(15) 0.58327(15) 0.33604(9) 0.0184(3) Uani 1 1 d . . . . .
H19 H 0.141926 0.548452 0.329419 0.022 Uiso 1 1 calc R U . . .
C20 C 0.2191(2) 0.7224(2) 0.52876(11) 0.0364(5) Uani 1 1 d . . . . .
H20A H 0.283552 0.686855 0.538657 0.055 Uiso 1 1 calc R U . . .
H20B H 0.163303 0.718551 0.562494 0.055 Uiso 1 1 calc R U . . .
H20C H 0.238966 0.799089 0.534320 0.055 Uiso 1 1 calc R U . . .
C21 C 0.59734(18) 0.7152(2) 0.31713(11) 0.0297(5) Uani 1 1 d . . . . .
H21A H 0.607969 0.636737 0.304106 0.045 Uiso 1 1 calc R U . . .
H21B H 0.666474 0.756464 0.335905 0.045 Uiso 1 1 calc R U . . .
H21C H 0.571594 0.732630 0.274592 0.045 Uiso 1 1 calc R U . . .
C22 C 0.06350(16) 0.15453(18) -0.00282(11) 0.0261(4) Uani 1 1 d . . . . .
H22 H 0.115306 0.121802 -0.036639 0.031 Uiso 1 1 calc R U . . .
C23 C -0.04467(18) 0.1340(2) -0.02401(11) 0.0331(5) Uani 1 1 d . . . . .
H23 H -0.066416 0.088020 -0.071000 0.040 Uiso 1 1 calc R U . . .
C24 C -0.12209(16) 0.18171(18) 0.02457(11) 0.0267(4) Uani 1 1 d . . . . .
H24 H -0.197537 0.168942 0.011368 0.032 Uiso 1 1 calc R U . . .
C25 C -0.08715(15) 0.24724(16) 0.09158(10) 0.0210(4) Uani 1 1 d . . . . .
H25 H -0.138947 0.280762 0.125168 0.025 Uiso 1 1 calc R U . . .
C26 C 0.02531(14) 0.26590(14) 0.11169(9) 0.0159(3) Uani 1 1 d . . . . .
C27 C -0.00553(14) 0.39945(15) 0.22488(9) 0.0182(3) Uani 1 1 d . . . . .
C28 C -0.04450(15) 0.48699(16) 0.20522(10) 0.0213(4) Uani 1 1 d . . . . .
H28 H -0.032083 0.493205 0.159168 0.026 Uiso 1 1 calc R U . . .
C29 C -0.10177(16) 0.56453(16) 0.25470(11) 0.0229(4) Uani 1 1 d . . . . .
C30 C -0.11764(17) 0.55784(17) 0.32339(11) 0.0262(4) Uani 1 1 d . . . . .
H30 H -0.155029 0.612413 0.357046 0.031 Uiso 1 1 calc R U . . .
C31 C -0.07866(17) 0.47147(18) 0.34197(10) 0.0253(4) Uani 1 1 d . . . . .
C32 C -0.02391(16) 0.39017(16) 0.29223(10) 0.0222(4) Uani 1 1 d . . . . .
H32 H 0.000376 0.329343 0.304516 0.027 Uiso 1 1 calc R U . . .
C33 C -0.1024(2) 0.5525(2) 0.46792(12) 0.0357(5) Uani 1 1 d . . . . .
H33A H -0.039242 0.603776 0.472664 0.054 Uiso 1 1 calc R U . . .
H33B H -0.106686 0.531574 0.511587 0.054 Uiso 1 1 calc R U . . .
H33C H -0.168786 0.587412 0.460814 0.054 Uiso 1 1 calc R U . . .
C34 C -0.1374(3) 0.6616(2) 0.17190(14) 0.0448(7) Uani 1 1 d . . . . .
H34A H -0.174910 0.596917 0.137317 0.067 Uiso 1 1 calc R U . . .
H34B H -0.060911 0.665940 0.160203 0.067 Uiso 1 1 calc R U . . .
H34C H -0.171996 0.727298 0.169709 0.067 Uiso 1 1 calc R U . . .
C35 C 0.37257(14) 0.04278(15) 0.06895(9) 0.0173(3) Uani 1 1 d . . . . .
H35 H 0.410519 0.064076 0.033693 0.021 Uiso 1 1 calc R U . . .
C36 C 0.39447(16) -0.05532(16) 0.07806(10) 0.0207(3) Uani 1 1 d . . . . .
H36 H 0.445779 -0.100632 0.049794 0.025 Uiso 1 1 calc R U . . .
C37 C 0.33902(16) -0.08673(15) 0.13022(10) 0.0207(3) Uani 1 1 d . . . . .
H37 H 0.350472 -0.155205 0.136838 0.025 Uiso 1 1 calc R U . . .
C38 C 0.26791(15) -0.01768(15) 0.17174(10) 0.0192(3) Uani 1 1 d . . . . .
H38 H 0.229753 -0.038482 0.207117 0.023 Uiso 1 1 calc R U . . .
C39 C 0.25142(14) 0.08502(14) 0.16175(9) 0.0150(3) Uani 1 1 d . . . . .
C40 C 0.12780(15) 0.13439(14) 0.25722(9) 0.0170(3) Uani 1 1 d . . . . .
C41 C 0.03506(16) 0.06536(16) 0.23255(10) 0.0210(4) Uani 1 1 d . . . . .
H41 H 0.016728 0.036645 0.182595 0.025 Uiso 1 1 calc R U . . .
C42 C -0.03059(16) 0.03869(16) 0.28155(10) 0.0217(4) Uani 1 1 d . . . . .
C43 C -0.00628(17) 0.08194(17) 0.35540(10) 0.0235(4) Uani 1 1 d . . . . .
H43 H -0.052396 0.064934 0.388744 0.028 Uiso 1 1 calc R U . . .
C44 C 0.08680(17) 0.15023(16) 0.37869(10) 0.0223(4) Uani 1 1 d . . . . .
C45 C 0.15415(16) 0.17728(16) 0.33050(10) 0.0213(4) Uani 1 1 d . . . . .
H45 H 0.217439 0.224517 0.347424 0.026 Uiso 1 1 calc R U . . .
C46 C 0.0593(2) 0.1617(2) 0.50093(12) 0.0378(6) Uani 1 1 d . . . . .
H46A H -0.014897 0.185464 0.499969 0.057 Uiso 1 1 calc R U . . .
H46B H 0.093722 0.195595 0.548947 0.057 Uiso 1 1 calc R U . . .
H46C H 0.057064 0.082004 0.489049 0.057 Uiso 1 1 calc R U . . .
C47 C -0.19151(18) -0.0562(2) 0.30082(13) 0.0340(5) Uani 1 1 d . . . . .
H47A H -0.251371 -0.105948 0.273418 0.051 Uiso 1 1 calc R U . . .
H47B H -0.220595 0.011970 0.330269 0.051 Uiso 1 1 calc R U . . .
H47C H -0.153652 -0.090473 0.331929 0.051 Uiso 1 1 calc R U . . .
C48 C 0.51982(15) 0.30609(16) 0.08719(10) 0.0196(3) Uani 1 1 d . . . . .
H48 H 0.504445 0.284959 0.036881 0.024 Uiso 1 1 calc R U . . .
C49 C 0.62625(16) 0.33421(18) 0.11159(11) 0.0238(4) Uani 1 1 d . . . . .
H49 H 0.682008 0.332462 0.078985 0.029 Uiso 1 1 calc R U . . .
C50 C 0.65065(16) 0.36544(17) 0.18542(11) 0.0233(4) Uani 1 1 d . . . . .
H50 H 0.722617 0.389523 0.204345 0.028 Uiso 1 1 calc R U . . .
C51 C 0.56856(15) 0.36053(16) 0.22983(10) 0.0205(3) Uani 1 1 d . . . . .
H51 H 0.584230 0.379005 0.279989 0.025 Uiso 1 1 calc R U . . .
C52 C 0.45968(14) 0.32801(14) 0.20173(9) 0.0149(3) Uani 1 1 d . . . . .
C53 C 0.40271(14) 0.31131(15) 0.31302(9) 0.0156(3) Uani 1 1 d . . . . .
C54 C 0.45030(15) 0.21698(15) 0.31764(9) 0.0184(3) Uani 1 1 d . . . . .
H54 H 0.470022 0.162151 0.275652 0.022 Uiso 1 1 calc R U . . .
C55 C 0.46788(15) 0.20563(16) 0.38494(10) 0.0191(3) Uani 1 1 d . . . . .
C56 C 0.43902(15) 0.28564(16) 0.44741(10) 0.0199(3) Uani 1 1 d . . . . .
H56 H 0.450831 0.276553 0.493115 0.024 Uiso 1 1 calc R U . . .
C57 C 0.39304(15) 0.37800(15) 0.44120(9) 0.0188(3) Uani 1 1 d . . . . .
C58 C 0.37389(15) 0.39136(15) 0.37405(9) 0.0175(3) Uani 1 1 d . . . . .
H58 H 0.341418 0.454765 0.370380 0.021 Uiso 1 1 calc R U . . .
C59 C 0.3822(2) 0.45331(19) 0.56761(10) 0.0300(5) Uani 1 1 d . . . . .
H59A H 0.343497 0.386748 0.570274 0.045 Uiso 1 1 calc R U . . .
H59B H 0.355555 0.517051 0.603675 0.045 Uiso 1 1 calc R U . . .
H59C H 0.460302 0.449656 0.576762 0.045 Uiso 1 1 calc R U . . .
C60 C 0.5274(2) 0.02595(18) 0.33404(11) 0.0297(4) Uani 1 1 d . . . . .
H60A H 0.457683 0.002700 0.306797 0.044 Uiso 1 1 calc R U . . .
H60B H 0.554064 -0.034527 0.348624 0.044 Uiso 1 1 calc R U . . .
H60C H 0.580326 0.047257 0.303960 0.044 Uiso 1 1 calc R U . . .
C61 C 0.0743(2) 0.8072(2) 0.32662(15) 0.0396(6) Uani 1 1 d . . . . .
H61A H 0.046130 0.801907 0.278402 0.059 Uiso 1 1 calc R U . . .
H61B H 0.023921 0.846229 0.362127 0.059 Uiso 1 1 calc R U . . .
H61C H 0.081385 0.733678 0.329887 0.059 Uiso 1 1 calc R U . . .
C62 C 0.18290(19) 0.86790(18) 0.34100(12) 0.0287(4) Uani 1 1 d . . . . .
C63 C 0.3056(2) 0.98776(19) 0.42828(13) 0.0336(5) Uani 1 1 d . . . . .
H63A H 0.306291 1.047804 0.407011 0.040 Uiso 1 1 calc R U . . .
H63B H 0.365079 0.940055 0.408198 0.040 Uiso 1 1 calc R U . . .
C64 C 0.3221(2) 1.0340(2) 0.50875(15) 0.0469(7) Uani 1 1 d . . . . .
H64A H 0.390682 1.078830 0.520957 0.070 Uiso 1 1 calc R U . . .
H64B H 0.324747 0.974037 0.529199 0.070 Uiso 1 1 calc R U . . .
H64C H 0.261701 1.079180 0.528368 0.070 Uiso 1 1 calc R U . . .
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
N5 Ru1 N3 94.27(6) . . ?
N5 Ru1 N1 172.08(6) . . ?
N3 Ru1 N1 84.31(6) . . ?
N5 Ru1 N7 84.34(6) . . ?
N3 Ru1 N7 174.63(6) . . ?
N1 Ru1 N7 96.36(6) . . ?
N5 Ru1 C1 95.68(6) . . ?
N3 Ru1 C1 93.59(6) . . ?
N1 Ru1 C1 92.18(6) . . ?
N7 Ru1 C1 91.71(6) . . ?
N5 Ru1 Ru2 87.05(4) . . ?
N3 Ru1 Ru2 87.25(4) . . ?
N1 Ru1 Ru2 85.11(4) . . ?
N7 Ru1 Ru2 87.50(4) . . ?
C1 Ru1 Ru2 177.07(5) . . ?
N8 Ru2 N4 179.05(6) . . ?
N8 Ru2 N6 90.35(6) . . ?
N4 Ru2 N6 90.60(6) . . ?
N8 Ru2 N2 88.85(6) . . ?
N4 Ru2 N2 90.21(6) . . ?
N6 Ru2 N2 178.49(6) . . ?
N8 Ru2 Ru1 90.19(4) . . ?
N4 Ru2 Ru1 89.86(4) . . ?
N6 Ru2 Ru1 88.84(4) . . ?
N2 Ru2 Ru1 89.88(4) . . ?
C5 O1 C7 117.27(16) . . ?
C3 O2 C8 117.41(16) . . ?
C18 O3 C20 116.90(17) . . ?
C16 O4 C21 117.45(15) . . ?
C31 O5 C33 117.32(19) . . ?
C29 O6 C34 117.41(17) . . ?
C44 O7 C46 117.69(18) . . ?
C42 O8 C47 117.61(17) . . ?
C57 O9 C59 116.70(16) . . ?
C55 O10 C60 116.28(15) . . ?
C62 O11 C63 114.57(18) . . ?
C9 N1 C13 117.74(15) . . ?
C9 N1 Ru1 122.58(12) . . ?
C13 N1 Ru1 119.56(11) . . ?
C13 N2 C14 120.63(15) . . ?
C13 N2 Ru2 119.10(11) . . ?
C14 N2 Ru2 120.24(11) . . ?
C22 N3 C26 117.22(16) . . ?
C22 N3 Ru1 123.28(13) . . ?
C26 N3 Ru1 119.20(11) . . ?
C26 N4 C27 119.86(15) . . ?
C26 N4 Ru2 121.12(12) . . ?
C27 N4 Ru2 118.85(11) . . ?
C35 N5 C39 117.98(15) . . ?
C35 N5 Ru1 122.82(12) . . ?
C39 N5 Ru1 119.03(12) . . ?
C39 N6 C40 119.30(15) . . ?
C39 N6 Ru2 119.48(11) . . ?
C40 N6 Ru2 120.78(11) . . ?
C48 N7 C52 116.63(15) . . ?
C48 N7 Ru1 124.54(12) . . ?
C52 N7 Ru1 118.58(11) . . ?
C52 N8 C53 118.98(14) . . ?
C52 N8 Ru2 121.25(11) . . ?
C53 N8 Ru2 119.77(11) . . ?
C6 C1 C2 117.51(16) . . ?
C6 C1 Ru1 123.28(12) . . ?
C2 C1 Ru1 118.96(12) . . ?
C3 C2 C1 120.57(17) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
O2 C3 C4 114.36(16) . . ?
O2 C3 C2 124.52(17) . . ?
C4 C3 C2 121.12(17) . . ?
C3 C4 C5 118.74(17) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
O1 C5 C4 114.70(17) . . ?
O1 C5 C6 124.53(17) . . ?
C4 C5 C6 120.74(17) . . ?
C1 C6 C5 121.24(17) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
O1 C7 H7A 109.5 . . ?
O1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O2 C8 H8A 109.5 . . ?
O2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
O2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C10 123.83(17) . . ?
N1 C9 H9 118.1 . . ?
C10 C9 H9 118.1 . . ?
C9 C10 C11 118.17(18) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
C12 C11 C10 119.53(18) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 119.83(17) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
N2 C13 N1 116.24(15) . . ?
N2 C13 C12 123.63(16) . . ?
N1 C13 C12 120.02(16) . . ?
C19 C14 C15 120.76(16) . . ?
C19 C14 N2 119.33(16) . . ?
C15 C14 N2 119.65(16) . . ?
C16 C15 C14 118.48(17) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
O4 C16 C15 123.92(17) . . ?
O4 C16 C17 114.51(16) . . ?
C15 C16 C17 121.56(17) . . ?
C18 C17 C16 119.04(16) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
O3 C18 C17 123.82(16) . . ?
O3 C18 C19 115.45(17) . . ?
C17 C18 C19 120.73(17) . . ?
C14 C19 C18 119.41(17) . . ?
C14 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
O3 C20 H20A 109.5 . . ?
O3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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 . . ?
N3 C22 C23 124.20(19) . . ?
N3 C22 H22 117.9 . . ?
C23 C22 H22 117.9 . . ?
C22 C23 C24 118.89(18) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 118.57(18) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C24 C25 C26 120.92(18) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
N4 C26 N3 116.94(15) . . ?
N4 C26 C25 122.81(16) . . ?
N3 C26 C25 120.20(15) . . ?
C32 C27 C28 120.73(17) . . ?
C32 C27 N4 119.42(17) . . ?
C28 C27 N4 119.52(16) . . ?
C29 C28 C27 118.59(18) . . ?
C29 C28 H28 120.7 . . ?
C27 C28 H28 120.7 . . ?
O6 C29 C28 124.45(19) . . ?
O6 C29 C30 114.42(18) . . ?
C28 C29 C30 121.09(19) . . ?
C31 C30 C29 119.61(18) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
O5 C31 C30 124.21(19) . . ?
O5 C31 C32 115.4(2) . . ?
C30 C31 C32 120.41(19) . . ?
C27 C32 C31 119.49(19) . . ?
C27 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
O5 C33 H33A 109.5 . . ?
O5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O6 C34 H34A 109.5 . . ?
O6 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O6 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N5 C35 C36 124.11(17) . . ?
N5 C35 H35 117.9 . . ?
C36 C35 H35 117.9 . . ?
C35 C36 C37 118.09(17) . . ?
C35 C36 H36 121.0 . . ?
C37 C36 H36 121.0 . . ?
C38 C37 C36 119.47(17) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C37 C38 C39 120.00(17) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
N6 C39 N5 116.99(15) . . ?
N6 C39 C38 122.85(16) . . ?
N5 C39 C38 120.02(16) . . ?
C41 C40 C45 120.26(16) . . ?
C41 C40 N6 119.61(16) . . ?
C45 C40 N6 120.12(16) . . ?
C42 C41 C40 119.49(17) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
O8 C42 C41 115.71(17) . . ?
O8 C42 C43 123.14(17) . . ?
C41 C42 C43 121.14(18) . . ?
C44 C43 C42 118.32(17) . . ?
C44 C43 H43 120.8 . . ?
C42 C43 H43 120.8 . . ?
O7 C44 C43 123.14(17) . . ?
O7 C44 C45 115.38(18) . . ?
C43 C44 C45 121.47(17) . . ?
C44 C45 C40 119.32(17) . . ?
C44 C45 H45 120.3 . . ?
C40 C45 H45 120.3 . . ?
O7 C46 H46A 109.5 . . ?
O7 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
O7 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O8 C47 H47A 109.5 . . ?
O8 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
O8 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N7 C48 C49 124.75(17) . . ?
N7 C48 H48 117.6 . . ?
C49 C48 H48 117.6 . . ?
C48 C49 C50 118.54(18) . . ?
C48 C49 H49 120.7 . . ?
C50 C49 H49 120.7 . . ?
C51 C50 C49 118.51(17) . . ?
C51 C50 H50 120.7 . . ?
C49 C50 H50 120.7 . . ?
C50 C51 C52 120.81(17) . . ?
C50 C51 H51 119.6 . . ?
C52 C51 H51 119.6 . . ?
N8 C52 N7 117.58(15) . . ?
N8 C52 C51 122.01(15) . . ?
N7 C52 C51 120.37(16) . . ?
C58 C53 C54 120.92(16) . . ?
C58 C53 N8 119.80(16) . . ?
C54 C53 N8 119.16(15) . . ?
C55 C54 C53 118.50(16) . . ?
C55 C54 H54 120.7 . . ?
C53 C54 H54 120.7 . . ?
O10 C55 C54 124.10(17) . . ?
O10 C55 C56 114.42(16) . . ?
C54 C55 C56 121.47(17) . . ?
C57 C56 C55 118.70(16) . . ?
C57 C56 H56 120.7 . . ?
C55 C56 H56 120.7 . . ?
O9 C57 C56 124.35(16) . . ?
O9 C57 C58 114.59(17) . . ?
C56 C57 C58 121.06(17) . . ?
C53 C58 C57 119.34(17) . . ?
C53 C58 H58 120.3 . . ?
C57 C58 H58 120.3 . . ?
O9 C59 H59A 109.5 . . ?
O9 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O9 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
O10 C60 H60A 109.5 . . ?
O10 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O10 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
O12 C62 O11 123.5(2) . . ?
O12 C62 C61 124.4(2) . . ?
O11 C62 C61 112.1(2) . . ?
O11 C63 C64 108.7(2) . . ?
O11 C63 H63A 110.0 . . ?
C64 C63 H63A 110.0 . . ?
O11 C63 H63B 110.0 . . ?
C64 C63 H63B 110.0 . . ?
H63A C63 H63B 108.3 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N5 2.1044(15) . ?
Ru1 N3 2.1209(15) . ?
Ru1 N1 2.1337(15) . ?
Ru1 N7 2.1456(15) . ?
Ru1 C1 2.2066(17) . ?
Ru1 Ru2 2.3406(2) . ?
Ru2 N8 2.0234(15) . ?
Ru2 N4 2.0357(15) . ?
Ru2 N6 2.0412(15) . ?
Ru2 N2 2.0456(15) . ?
O1 C5 1.369(2) . ?
O1 C7 1.424(3) . ?
O2 C3 1.375(2) . ?
O2 C8 1.407(3) . ?
O3 C18 1.370(2) . ?
O3 C20 1.434(3) . ?
O4 C16 1.374(2) . ?
O4 C21 1.426(3) . ?
O5 C31 1.368(3) . ?
O5 C33 1.440(3) . ?
O6 C29 1.369(3) . ?
O6 C34 1.426(3) . ?
O7 C44 1.375(2) . ?
O7 C46 1.425(3) . ?
O8 C42 1.366(2) . ?
O8 C47 1.422(3) . ?
O9 C57 1.367(2) . ?
O9 C59 1.425(2) . ?
O10 C55 1.370(2) . ?
O10 C60 1.433(2) . ?
O11 C62 1.351(3) . ?
O11 C63 1.455(3) . ?
O12 C62 1.197(3) . ?
N1 C9 1.359(2) . ?
N1 C13 1.376(2) . ?
N2 C13 1.346(2) . ?
N2 C14 1.423(2) . ?
N3 C22 1.359(2) . ?
N3 C26 1.375(2) . ?
N4 C26 1.349(2) . ?
N4 C27 1.426(2) . ?
N5 C35 1.361(2) . ?
N5 C39 1.368(2) . ?
N6 C39 1.354(2) . ?
N6 C40 1.427(2) . ?
N7 C48 1.365(2) . ?
N7 C52 1.371(2) . ?
N8 C52 1.347(2) . ?
N8 C53 1.425(2) . ?
C1 C6 1.393(2) . ?
C1 C2 1.412(2) . ?
C2 C3 1.395(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(3) . ?
C4 C5 1.385(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(3) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.371(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.408(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.366(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.422(2) . ?
C12 H12 0.9500 . ?
C14 C19 1.387(2) . ?
C14 C15 1.400(3) . ?
C15 C16 1.393(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.394(3) . ?
C17 C18 1.380(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.403(2) . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.372(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.394(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.366(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.418(2) . ?
C25 H25 0.9500 . ?
C27 C32 1.391(3) . ?
C27 C28 1.405(3) . ?
C28 C29 1.394(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.399(3) . ?
C30 C31 1.380(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.405(3) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.372(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.401(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.374(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.424(2) . ?
C38 H38 0.9500 . ?
C40 C41 1.391(3) . ?
C40 C45 1.393(2) . ?
C41 C42 1.390(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.399(3) . ?
C43 C44 1.386(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.392(3) . ?
C45 H45 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.374(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.398(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.368(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.427(2) . ?
C51 H51 0.9500 . ?
C53 C58 1.384(2) . ?
C53 C54 1.404(3) . ?
C54 C55 1.388(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.402(3) . ?
C56 C57 1.382(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.399(2) . ?
C58 H58 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.491(3) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C63 C64 1.508(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 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
C6 C1 C2 C3 -2.5(3) . . . . ?
Ru1 C1 C2 C3 171.83(14) . . . . ?
C8 O2 C3 C4 -171.0(2) . . . . ?
C8 O2 C3 C2 8.5(3) . . . . ?
C1 C2 C3 O2 -176.82(18) . . . . ?
C1 C2 C3 C4 2.7(3) . . . . ?
O2 C3 C4 C5 179.13(18) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C7 O1 C5 C4 -171.6(2) . . . . ?
C7 O1 C5 C6 10.2(3) . . . . ?
C3 C4 C5 O1 179.81(18) . . . . ?
C3 C4 C5 C6 -1.9(3) . . . . ?
C2 C1 C6 C5 0.1(3) . . . . ?
Ru1 C1 C6 C5 -173.90(14) . . . . ?
O1 C5 C6 C1 -179.84(18) . . . . ?
C4 C5 C6 C1 2.1(3) . . . . ?
C13 N1 C9 C10 6.2(3) . . . . ?
Ru1 N1 C9 C10 -177.77(17) . . . . ?
N1 C9 C10 C11 1.4(3) . . . . ?
C9 C10 C11 C12 -4.2(3) . . . . ?
C10 C11 C12 C13 -0.5(3) . . . . ?
C14 N2 C13 N1 166.16(16) . . . . ?
Ru2 N2 C13 N1 -16.1(2) . . . . ?
C14 N2 C13 C12 -17.6(3) . . . . ?
Ru2 N2 C13 C12 160.15(15) . . . . ?
C9 N1 C13 N2 165.40(17) . . . . ?
Ru1 N1 C13 N2 -10.8(2) . . . . ?
C9 N1 C13 C12 -11.0(3) . . . . ?
Ru1 N1 C13 C12 172.89(14) . . . . ?
C11 C12 C13 N2 -167.73(19) . . . . ?
C11 C12 C13 N1 8.3(3) . . . . ?
C13 N2 C14 C19 118.02(19) . . . . ?
Ru2 N2 C14 C19 -59.7(2) . . . . ?
C13 N2 C14 C15 -67.8(2) . . . . ?
Ru2 N2 C14 C15 114.44(16) . . . . ?
C19 C14 C15 C16 0.4(3) . . . . ?
N2 C14 C15 C16 -173.68(16) . . . . ?
C21 O4 C16 C15 -7.4(3) . . . . ?
C21 O4 C16 C17 171.16(18) . . . . ?
C14 C15 C16 O4 178.83(17) . . . . ?
C14 C15 C16 C17 0.4(3) . . . . ?
O4 C16 C17 C18 -178.64(17) . . . . ?
C15 C16 C17 C18 0.0(3) . . . . ?
C20 O3 C18 C17 -12.3(3) . . . . ?
C20 O3 C18 C19 167.44(19) . . . . ?
C16 C17 C18 O3 178.68(18) . . . . ?
C16 C17 C18 C19 -1.1(3) . . . . ?
C15 C14 C19 C18 -1.5(3) . . . . ?
N2 C14 C19 C18 172.63(16) . . . . ?
O3 C18 C19 C14 -177.94(17) . . . . ?
C17 C18 C19 C14 1.8(3) . . . . ?
C26 N3 C22 C23 -0.3(3) . . . . ?
Ru1 N3 C22 C23 -173.89(19) . . . . ?
N3 C22 C23 C24 0.4(4) . . . . ?
C22 C23 C24 C25 0.0(4) . . . . ?
C23 C24 C25 C26 -0.5(3) . . . . ?
C27 N4 C26 N3 163.66(16) . . . . ?
Ru2 N4 C26 N3 -11.6(2) . . . . ?
C27 N4 C26 C25 -18.9(3) . . . . ?
Ru2 N4 C26 C25 165.91(14) . . . . ?
C22 N3 C26 N4 177.34(17) . . . . ?
Ru1 N3 C26 N4 -8.8(2) . . . . ?
C22 N3 C26 C25 -0.2(3) . . . . ?
Ru1 N3 C26 C25 173.68(14) . . . . ?
C24 C25 C26 N4 -176.82(19) . . . . ?
C24 C25 C26 N3 0.6(3) . . . . ?
C26 N4 C27 C32 124.57(19) . . . . ?
Ru2 N4 C27 C32 -60.1(2) . . . . ?
C26 N4 C27 C28 -61.9(2) . . . . ?
Ru2 N4 C27 C28 113.42(16) . . . . ?
C32 C27 C28 C29 0.1(3) . . . . ?
N4 C27 C28 C29 -173.29(17) . . . . ?
C34 O6 C29 C28 6.4(3) . . . . ?
C34 O6 C29 C30 -175.6(2) . . . . ?
C27 C28 C29 O6 179.83(18) . . . . ?
C27 C28 C29 C30 1.9(3) . . . . ?
O6 C29 C30 C31 -179.91(19) . . . . ?
C28 C29 C30 C31 -1.8(3) . . . . ?
C33 O5 C31 C30 -27.1(3) . . . . ?
C33 O5 C31 C32 154.2(2) . . . . ?
C29 C30 C31 O5 -179.1(2) . . . . ?
C29 C30 C31 C32 -0.4(3) . . . . ?
C28 C27 C32 C31 -2.3(3) . . . . ?
N4 C27 C32 C31 171.14(17) . . . . ?
O5 C31 C32 C27 -178.77(18) . . . . ?
C30 C31 C32 C27 2.4(3) . . . . ?
C39 N5 C35 C36 4.9(3) . . . . ?
Ru1 N5 C35 C36 -179.96(14) . . . . ?
N5 C35 C36 C37 -0.3(3) . . . . ?
C35 C36 C37 C38 -2.1(3) . . . . ?
C36 C37 C38 C39 -0.2(3) . . . . ?
C40 N6 C39 N5 169.61(15) . . . . ?
Ru2 N6 C39 N5 -18.0(2) . . . . ?
C40 N6 C39 C38 -14.8(3) . . . . ?
Ru2 N6 C39 C38 157.67(14) . . . . ?
C35 N5 C39 N6 168.62(16) . . . . ?
Ru1 N5 C39 N6 -6.7(2) . . . . ?
C35 N5 C39 C38 -7.1(2) . . . . ?
Ru1 N5 C39 C38 177.57(12) . . . . ?
C37 C38 C39 N6 -170.52(17) . . . . ?
C37 C38 C39 N5 5.0(3) . . . . ?
C39 N6 C40 C41 -67.9(2) . . . . ?
Ru2 N6 C40 C41 119.75(16) . . . . ?
C39 N6 C40 C45 113.4(2) . . . . ?
Ru2 N6 C40 C45 -59.0(2) . . . . ?
C45 C40 C41 C42 -0.6(3) . . . . ?
N6 C40 C41 C42 -179.30(17) . . . . ?
C47 O8 C42 C41 -175.2(2) . . . . ?
C47 O8 C42 C43 6.2(3) . . . . ?
C40 C41 C42 O8 -177.30(18) . . . . ?
C40 C41 C42 C43 1.4(3) . . . . ?
O8 C42 C43 C44 177.0(2) . . . . ?
C41 C42 C43 C44 -1.6(3) . . . . ?
C46 O7 C44 C43 3.4(3) . . . . ?
C46 O7 C44 C45 -175.2(2) . . . . ?
C42 C43 C44 O7 -177.37(19) . . . . ?
C42 C43 C44 C45 1.1(3) . . . . ?
O7 C44 C45 C40 178.23(18) . . . . ?
C43 C44 C45 C40 -0.3(3) . . . . ?
C41 C40 C45 C44 0.1(3) . . . . ?
N6 C40 C45 C44 178.78(17) . . . . ?
C52 N7 C48 C49 -5.4(3) . . . . ?
Ru1 N7 C48 C49 -179.57(16) . . . . ?
N7 C48 C49 C50 0.1(3) . . . . ?
C48 C49 C50 C51 3.8(3) . . . . ?
C49 C50 C51 C52 -2.2(3) . . . . ?
C53 N8 C52 N7 161.99(16) . . . . ?
Ru2 N8 C52 N7 -17.3(2) . . . . ?
C53 N8 C52 C51 -20.2(3) . . . . ?
Ru2 N8 C52 C51 160.49(14) . . . . ?
C48 N7 C52 N8 -175.35(16) . . . . ?
Ru1 N7 C52 N8 -0.8(2) . . . . ?
C48 N7 C52 C51 6.8(3) . . . . ?
Ru1 N7 C52 C51 -178.65(13) . . . . ?
C50 C51 C52 N8 179.00(18) . . . . ?
C50 C51 C52 N7 -3.3(3) . . . . ?
C52 N8 C53 C58 118.38(19) . . . . ?
Ru2 N8 C53 C58 -62.3(2) . . . . ?
C52 N8 C53 C54 -65.6(2) . . . . ?
Ru2 N8 C53 C54 113.73(16) . . . . ?
C58 C53 C54 C55 0.0(3) . . . . ?
N8 C53 C54 C55 -175.98(16) . . . . ?
C60 O10 C55 C54 -9.0(3) . . . . ?
C60 O10 C55 C56 170.35(18) . . . . ?
C53 C54 C55 O10 179.43(17) . . . . ?
C53 C54 C55 C56 0.2(3) . . . . ?
O10 C55 C56 C57 -179.97(17) . . . . ?
C54 C55 C56 C57 -0.6(3) . . . . ?
C59 O9 C57 C56 0.0(3) . . . . ?
C59 O9 C57 C58 -179.54(17) . . . . ?
C55 C56 C57 O9 -178.59(18) . . . . ?
C55 C56 C57 C58 0.9(3) . . . . ?
C54 C53 C58 C57 0.3(3) . . . . ?
N8 C53 C58 C57 176.26(16) . . . . ?
O9 C57 C58 C53 178.79(16) . . . . ?
C56 C57 C58 C53 -0.8(3) . . . . ?
C63 O11 C62 O12 1.9(3) . . . . ?
C63 O11 C62 C61 -178.89(19) . . . . ?
C62 O11 C63 C64 -172.1(2) . . . . ?
