#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:01:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179227 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/47/4314747.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_4314747
loop_
_publ_author_name
'Javier J. Concepcion'
'Jonah W. Jurss'
'Michael R. Norris'
'Zuofeng Chen'
'Joseph L. Templeton'
'Thomas J. Meyer'
_publ_section_title
;
 Catalytic Water Oxidation by Single-Site Ruthenium Catalysts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1277
_journal_page_last               1279
_journal_paper_doi               10.1021/ic901437e
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C28 H24 N6 O Ru, 2(Cl O4), 2(H2 O)'
_chemical_formula_sum            'C28 H28 Cl2 N6 O11 Ru'
_chemical_formula_weight         796.53
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.936(6)
_cell_angle_beta                 110.074(6)
_cell_angle_gamma                94.635(6)
_cell_formula_units_Z            4
_cell_length_a                   13.8740(10)
_cell_length_b                   15.2143(11)
_cell_length_c                   16.5727(13)
_cell_measurement_reflns_used    3493
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.00
_cell_measurement_theta_min      3.04
_cell_volume                     3137.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1261
_diffrn_reflns_av_sigmaI/netI    0.1476
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21471
_diffrn_reflns_theta_full        69.67
_diffrn_reflns_theta_max         69.67
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    6.234
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 SADABS'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.910
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     915
_refine_ls_number_reflns         10228
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0482P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1537
_reflns_number_gt                5893
_reflns_number_total             10228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901437e_si_002.cif
_cod_data_source_block           c09291
_cod_database_code               4314747
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.38453(5) 0.85148(4) 0.13528(4) 0.03105(17) Uani 1 1 d . . .
O1 O 0.3110(5) 0.8213(4) -0.0105(4) 0.0386(14) Uani 1 1 d D . .
H1A H 0.306(12) 0.758(3) -0.042(9) 0.12(6) Uiso 1 1 d D . .
H1B H 0.241(2) 0.832(5) -0.034(5) 0.02(2) Uiso 1 1 d D . .
N2 N 0.2593(5) 0.7735(5) 0.1443(5) 0.0323(16) Uani 1 1 d . . .
C3 C 0.1746(6) 0.7237(6) 0.0771(6) 0.037(2) Uani 1 1 d . . .
H3 H 0.1661 0.7246 0.0179 0.044 Uiso 1 1 calc R . .
C4 C 0.0968(6) 0.6695(6) 0.0892(6) 0.0353(19) Uani 1 1 d . . .
H4 H 0.0363 0.6353 0.0394 0.042 Uiso 1 1 calc R . .
C5 C 0.1097(7) 0.6671(6) 0.1730(7) 0.044(2) Uani 1 1 d . . .
H5 H 0.0584 0.6301 0.1825 0.053 Uiso 1 1 calc R . .
C6 C 0.1964(7) 0.7179(6) 0.2447(6) 0.040(2) Uani 1 1 d . . .
H6 H 0.2052 0.7177 0.3041 0.048 Uiso 1 1 calc R . .
C7 C 0.2715(6) 0.7699(6) 0.2282(6) 0.0324(18) Uani 1 1 d . . .
N8 N 0.3656(5) 0.8226(5) 0.2933(5) 0.0354(16) Uani 1 1 d . . .
C9 C 0.4109(7) 0.8370(6) 0.3869(6) 0.035(2) Uani 1 1 d . . .
C10 C 0.3779(8) 0.8064(6) 0.4471(6) 0.043(2) Uani 1 1 d . . .
H10 H 0.3116 0.7687 0.4283 0.052 Uiso 1 1 calc R . .
C11 C 0.4454(8) 0.8332(7) 0.5354(7) 0.047(2) Uani 1 1 d . . .
H11 H 0.4249 0.8141 0.5786 0.057 Uiso 1 1 calc R . .
C12 C 0.5443(7) 0.8882(7) 0.5633(7) 0.046(2) Uani 1 1 d . . .
H12 H 0.5894 0.9051 0.6246 0.055 Uiso 1 1 calc R . .
C13 C 0.5768(7) 0.9181(7) 0.5027(6) 0.046(2) Uani 1 1 d . . .
H13 H 0.6427 0.9561 0.5211 0.055 Uiso 1 1 calc R . .
C14 C 0.5082(7) 0.8898(6) 0.4137(6) 0.038(2) Uani 1 1 d . . .
N15 N 0.5193(5) 0.9089(5) 0.3398(5) 0.0343(16) Uani 1 1 d . . .
C16 C 0.4336(6) 0.8685(6) 0.2631(6) 0.0324(19) Uani 1 1 d . . .
C17 C 0.6114(7) 0.9626(7) 0.3404(7) 0.046(2) Uani 1 1 d . . .
H17A H 0.6498 0.9212 0.3135 0.069 Uiso 1 1 calc R . .
H17B H 0.6563 0.9963 0.4023 0.069 Uiso 1 1 calc R . .
H17C H 0.5902 1.0064 0.3058 0.069 Uiso 1 1 calc R . .
N18 N 0.3377(5) 0.9801(5) 0.1409(5) 0.0376(17) Uani 1 1 d . . .
C19 C 0.2478(6) 1.0024(6) 0.1406(6) 0.038(2) Uani 1 1 d . . .
H19 H 0.1988 0.9582 0.1450 0.045 Uiso 1 1 calc R . .
C20 C 0.2212(7) 1.0860(6) 0.1341(7) 0.043(2) Uani 1 1 d . . .
H20 H 0.1556 1.0994 0.1343 0.052 Uiso 1 1 calc R . .
C21 C 0.2932(7) 1.1514(6) 0.1273(7) 0.043(2) Uani 1 1 d . . .
H21 H 0.2769 1.2096 0.1215 0.052 Uiso 1 1 calc R . .
C22 C 0.3867(7) 1.1293(6) 0.1293(6) 0.042(2) Uani 1 1 d . . .
H22 H 0.4377 1.1738 0.1278 0.051 Uiso 1 1 calc R . .
C23 C 0.4092(6) 1.0433(5) 0.1335(6) 0.0323(18) Uani 1 1 d . . .
C24 C 0.5047(7) 1.0111(6) 0.1295(6) 0.037(2) Uani 1 1 d . . .
C25 C 0.5897(7) 1.0633(6) 0.1248(6) 0.038(2) Uani 1 1 d . . .
H25 H 0.5912 1.1263 0.1264 0.046 Uiso 1 1 calc R . .
C26 C 0.6717(7) 1.0191(7) 0.1176(7) 0.046(2) Uani 1 1 d . . .
H26 H 0.7322 1.0533 0.1177 0.056 Uiso 1 1 calc R . .
C27 C 0.6666(7) 0.9269(7) 0.1103(7) 0.044(2) Uani 1 1 d . . .
H27 H 0.7222 0.8974 0.1033 0.053 Uiso 1 1 calc R . .
C28 C 0.5806(7) 0.8769(6) 0.1131(6) 0.035(2) Uani 1 1 d . . .
N29 N 0.5049(5) 0.9218(5) 0.1278(5) 0.0338(16) Uani 1 1 d . . .
C30 C 0.5591(7) 0.7769(6) 0.1041(6) 0.038(2) Uani 1 1 d . . .
C31 C 0.6251(6) 0.7184(6) 0.0887(6) 0.035(2) Uani 1 1 d . . .
H31 H 0.6874 0.7415 0.0830 0.042 Uiso 1 1 calc R . .
C32 C 0.6013(7) 0.6257(6) 0.0814(6) 0.042(2) Uani 1 1 d . . .
H32 H 0.6457 0.5840 0.0700 0.050 Uiso 1 1 calc R . .
C33 C 0.5091(7) 0.5963(7) 0.0915(7) 0.045(2) Uani 1 1 d . . .
H33 H 0.4908 0.5338 0.0886 0.054 Uiso 1 1 calc R . .
C34 C 0.4445(7) 0.6577(6) 0.1058(6) 0.0345(19) Uani 1 1 d . . .
H34 H 0.3810 0.6359 0.1104 0.041 Uiso 1 1 calc R . .
N35 N 0.4691(5) 0.7490(5) 0.1135(5) 0.0347(16) Uani 1 1 d . . .
Ru2 Ru 0.80485(5) 0.67144(4) 0.47736(4) 0.02794(16) Uani 1 1 d . . .
O41 O 0.7990(4) 0.5228(4) 0.4389(4) 0.0326(13) Uani 1 1 d D . .
H41A H 0.739(6) 0.475(6) 0.407(8) 0.09(4) Uiso 1 1 d D . .
H41B H 0.842(6) 0.524(7) 0.499(3) 0.05(3) Uiso 1 1 d D . .
N42 N 0.8369(5) 0.6792(4) 0.3647(4) 0.0294(14) Uani 1 1 d . . .
C43 C 0.8412(6) 0.6073(6) 0.3010(5) 0.0333(19) Uani 1 1 d . . .
H43 H 0.8324 0.5472 0.3077 0.040 Uiso 1 1 calc R . .
C44 C 0.8576(6) 0.6180(6) 0.2281(6) 0.0349(19) Uani 1 1 d . . .
H44 H 0.8585 0.5658 0.1834 0.042 Uiso 1 1 calc R . .
C45 C 0.8732(7) 0.7055(6) 0.2186(6) 0.037(2) Uani 1 1 d . . .
H45 H 0.8855 0.7140 0.1677 0.045 Uiso 1 1 calc R . .
C46 C 0.8707(7) 0.7799(6) 0.2838(6) 0.0346(19) Uani 1 1 d . . .
H46 H 0.8825 0.8409 0.2798 0.041 Uiso 1 1 calc R . .
C47 C 0.8502(6) 0.7631(5) 0.3560(5) 0.0267(16) Uani 1 1 d . . .
N48 N 0.8434(5) 0.8325(4) 0.4260(4) 0.0281(14) Uani 1 1 d . . .
C49 C 0.8604(6) 0.9290(5) 0.4471(6) 0.0303(17) Uani 1 1 d . . .
C50 C 0.8787(6) 0.9899(6) 0.4027(6) 0.0346(19) Uani 1 1 d . . .
H50 H 0.8850 0.9697 0.3462 0.041 Uiso 1 1 calc R . .
C51 C 0.8875(6) 1.0833(6) 0.4448(7) 0.039(2) Uani 1 1 d . . .
H51 H 0.9001 1.1276 0.4162 0.047 Uiso 1 1 calc R . .
C52 C 0.8785(7) 1.1122(6) 0.5259(6) 0.040(2) Uani 1 1 d . . .
H52 H 0.8834 1.1763 0.5513 0.048 Uiso 1 1 calc R . .
C53 C 0.8624(7) 1.0522(6) 0.5729(6) 0.037(2) Uani 1 1 d . . .
H53 H 0.8586 1.0730 0.6304 0.045 Uiso 1 1 calc R . .
C54 C 0.8522(6) 0.9583(6) 0.5298(6) 0.0320(18) Uani 1 1 d . . .
N55 N 0.8310(5) 0.8821(4) 0.5568(5) 0.0298(15) Uani 1 1 d . . .
C56 C 0.8249(6) 0.8033(5) 0.4935(5) 0.0253(16) Uani 1 1 d . . .
C57 C 0.8215(7) 0.8855(5) 0.6410(5) 0.0315(18) Uani 1 1 d . . .
H57A H 0.7686 0.8338 0.6327 0.047 Uiso 1 1 calc R . .
H57B H 0.8006 0.9436 0.6635 0.047 Uiso 1 1 calc R . .
H57C H 0.8887 0.8815 0.6844 0.047 Uiso 1 1 calc R . .
N58 N 0.6404(5) 0.6426(5) 0.4190(5) 0.0318(15) Uani 1 1 d . . .
C59 C 0.5790(7) 0.6281(6) 0.3335(6) 0.0361(19) Uani 1 1 d . . .
H59 H 0.6097 0.6383 0.2927 0.043 Uiso 1 1 calc R . .
C60 C 0.4739(7) 0.5994(6) 0.3022(6) 0.041(2) Uani 1 1 d . . .
H60 H 0.4329 0.5861 0.2401 0.049 Uiso 1 1 calc R . .
C61 C 0.4278(7) 0.5898(6) 0.3625(6) 0.039(2) Uani 1 1 d . . .
H61 H 0.3543 0.5722 0.3428 0.046 Uiso 1 1 calc R . .
C62 C 0.4897(7) 0.6061(6) 0.4501(6) 0.037(2) Uani 1 1 d . . .
H62 H 0.4594 0.5995 0.4923 0.044 Uiso 1 1 calc R . .
C63 C 0.5974(7) 0.6325(5) 0.4785(6) 0.0343(19) Uani 1 1 d . . .
C64 C 0.6698(6) 0.6451(5) 0.5707(5) 0.0292(17) Uani 1 1 d . . .
C65 C 0.6455(7) 0.6369(5) 0.6441(6) 0.0332(18) Uani 1 1 d . . .
H65 H 0.5748 0.6255 0.6385 0.040 Uiso 1 1 calc R . .
C66 C 0.7245(7) 0.6457(6) 0.7240(6) 0.040(2) Uani 1 1 d . . .
H66 H 0.7088 0.6401 0.7742 0.048 Uiso 1 1 calc R . .
C67 C 0.8280(7) 0.6628(6) 0.7320(6) 0.036(2) Uani 1 1 d . . .
H67 H 0.8830 0.6666 0.7868 0.044 Uiso 1 1 calc R . .
C68 C 0.8500(7) 0.6741(6) 0.6604(6) 0.0341(19) Uani 1 1 d . . .
N69 N 0.7715(5) 0.6642(4) 0.5818(5) 0.0305(15) Uani 1 1 d . . .
C70 C 0.9533(7) 0.6873(6) 0.6544(6) 0.0321(19) Uani 1 1 d . . .
C71 C 1.0463(7) 0.7026(6) 0.7282(6) 0.0360(19) Uani 1 1 d . . .
H71 H 1.0459 0.7084 0.7864 0.043 Uiso 1 1 calc R . .
C72 C 1.1406(7) 0.7094(6) 0.7141(7) 0.044(2) Uani 1 1 d . . .
H72 H 1.2051 0.7194 0.7631 0.052 Uiso 1 1 calc R . .
C73 C 1.1394(7) 0.7015(6) 0.6303(6) 0.037(2) Uani 1 1 d . . .
H73 H 1.2022 0.7038 0.6193 0.045 Uiso 1 1 calc R . .
C74 C 1.0438(7) 0.6900(6) 0.5614(6) 0.038(2) Uani 1 1 d . . .
H74 H 1.0428 0.6855 0.5029 0.046 Uiso 1 1 calc R . .
N75 N 0.9527(5) 0.6849(4) 0.5726(4) 0.0288(14) Uani 1 1 d . . .
Cl1 Cl 0.19889(16) 0.43789(15) 0.05262(15) 0.0388(5) Uani 1 1 d . . .
O80 O 0.1443(7) 0.4600(5) -0.0276(5) 0.066(2) Uani 1 1 d . . .
O81 O 0.2789(6) 0.5102(6) 0.1112(6) 0.081(3) Uani 1 1 d . . .
O82 O 0.2377(6) 0.3560(5) 0.0309(6) 0.068(2) Uani 1 1 d . . .
O83 O 0.1272(5) 0.4205(5) 0.0943(5) 0.0534(18) Uani 1 1 d . . .
Cl2 Cl 0.57769(17) 0.37129(15) 0.25381(17) 0.0452(5) Uani 1 1 d . . .
O84 O 0.4683(5) 0.3615(5) 0.2073(5) 0.0543(18) Uani 1 1 d . . .
O85 O 0.6336(6) 0.4351(5) 0.2270(5) 0.0578(19) Uani 1 1 d . . .
O86 O 0.6027(5) 0.4058(5) 0.3490(5) 0.0507(17) Uani 1 1 d . . .
O87 O 0.6097(5) 0.2844(5) 0.2346(5) 0.059(2) Uani 1 1 d . . .
Cl3 Cl 0.86921(17) 0.42899(14) 0.62103(15) 0.0386(5) Uani 1 1 d . . .
O88 O 0.7625(6) 0.4315(6) 0.5741(6) 0.069(2) Uani 1 1 d . . .
O89 O 0.9324(5) 0.4749(4) 0.5850(4) 0.0407(14) Uani 1 1 d . . .
O90 O 0.8987(6) 0.4748(5) 0.7137(5) 0.0579(19) Uani 1 1 d . . .
O91 O 0.8859(6) 0.3358(4) 0.6114(5) 0.0576(19) Uani 1 1 d . . .
Cl4 Cl 0.97000(16) 0.93282(14) 0.15968(15) 0.0362(5) Uani 1 1 d . . .
O92 O 0.9355(5) 0.9854(4) 0.2253(5) 0.0515(17) Uani 1 1 d . . .
O93 O 0.8904(5) 0.8532(4) 0.1018(4) 0.0467(16) Uani 1 1 d . . .
O94 O 1.0650(5) 0.9024(4) 0.2018(4) 0.0446(15) Uani 1 1 d . . .
O95 O 0.9888(5) 0.9887(5) 0.1067(5) 0.0548(18) Uani 1 1 d . . .
O96 O 0.0556(5) 0.2229(4) 0.0505(4) 0.0443(15) Uani 1 1 d D . .
H96A H 0.086(5) 0.185(4) 0.014(4) 0.02(2) Uiso 1 1 d D . .
H96B H 0.020(8) 0.271(5) 0.069(8) 0.08(4) Uiso 1 1 d D . .
O97 O 0.7159(5) 0.3563(5) 0.0938(5) 0.0486(16) Uani 1 1 d D . .
H97A H 0.7897(13) 0.376(6) 0.113(6) 0.03(2) Uiso 1 1 d D . .
H97B H 0.688(10) 0.380(10) 0.138(7) 0.12(6) Uiso 1 1 d D . .
O98 O 0.1175(5) 0.8620(5) 0.9341(5) 0.0486(16) Uani 1 1 d D . .
H98A H 0.090(7) 0.911(4) 0.912(6) 0.04(3) Uiso 1 1 d D . .
H98B H 0.078(6) 0.843(6) 0.966(5) 0.05(3) Uiso 1 1 d D . .
O99 O 0.9233(6) 0.4155(5) 0.1293(5) 0.0560(18) Uani 1 1 d D . .
H99A H 0.989(6) 0.407(11) 0.125(11) 0.13(7) Uiso 1 1 d D . .
H99B H 0.925(8) 0.458(6) 0.095(6) 0.06(3) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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
C16 Ru1 N29 100.1(3) . . ?
C16 Ru1 N35 93.7(3) . . ?
N29 Ru1 N35 79.4(3) . . ?
C16 Ru1 N2 79.2(3) . . ?
N29 Ru1 N2 178.2(3) . . ?
N35 Ru1 N2 99.0(3) . . ?
C16 Ru1 N18 95.5(3) . . ?
N29 Ru1 N18 79.6(3) . . ?
N35 Ru1 N18 158.2(3) . . ?
N2 Ru1 N18 102.1(3) . . ?
C16 Ru1 O1 172.6(3) . . ?
N29 Ru1 O1 87.3(3) . . ?
N35 Ru1 O1 87.4(3) . . ?
N2 Ru1 O1 93.4(2) . . ?
N18 Ru1 O1 86.0(3) . . ?
C3 N2 C7 117.8(7) . . ?
C3 N2 Ru1 126.8(6) . . ?
C7 N2 Ru1 115.2(5) . . ?
N2 C3 C4 122.9(9) . . ?
C5 C4 C3 118.5(8) . . ?
C4 C5 C6 120.4(8) . . ?
C5 C6 C7 118.3(9) . . ?
N2 C7 C6 122.0(8) . . ?
N2 C7 N8 112.6(7) . . ?
C6 C7 N8 125.4(8) . . ?
C7 N8 C9 131.9(7) . . ?
C7 N8 C16 117.2(7) . . ?
C9 N8 C16 110.8(7) . . ?
C14 C9 C10 121.6(8) . . ?
C14 C9 N8 105.2(8) . . ?
C10 C9 N8 133.2(8) . . ?
C11 C10 C9 117.0(9) . . ?
C10 C11 C12 121.5(10) . . ?
C13 C12 C11 121.1(9) . . ?
C12 C13 C14 116.7(9) . . ?
N15 C14 C9 108.5(7) . . ?
N15 C14 C13 129.4(8) . . ?
C9 C14 C13 122.0(9) . . ?
C16 N15 C14 111.9(7) . . ?
C16 N15 C17 122.8(8) . . ?
C14 N15 C17 125.2(7) . . ?
N15 C16 N8 103.6(7) . . ?
N15 C16 Ru1 140.6(6) . . ?
N8 C16 Ru1 115.7(6) . . ?
C19 N18 C23 119.0(8) . . ?
C19 N18 Ru1 128.4(6) . . ?
C23 N18 Ru1 112.2(6) . . ?
N18 C19 C20 123.3(8) . . ?
C19 C20 C21 118.5(9) . . ?
C22 C21 C20 118.2(9) . . ?
C21 C22 C23 121.3(8) . . ?
N18 C23 C22 119.6(8) . . ?
N18 C23 C24 115.4(7) . . ?
C22 C23 C24 125.1(8) . . ?
N29 C24 C25 120.2(8) . . ?
N29 C24 C23 113.9(7) . . ?
C25 C24 C23 125.9(8) . . ?
C26 C25 C24 117.3(8) . . ?
C27 C26 C25 121.1(8) . . ?
C26 C27 C28 120.1(9) . . ?
N29 C28 C27 118.6(8) . . ?
N29 C28 C30 113.1(7) . . ?
C27 C28 C30 128.3(8) . . ?
C24 N29 C28 122.2(7) . . ?
C24 N29 Ru1 118.8(6) . . ?
C28 N29 Ru1 118.7(5) . . ?
N35 C30 C31 123.0(8) . . ?
N35 C30 C28 114.1(8) . . ?
C31 C30 C28 122.8(8) . . ?
C30 C31 C32 120.4(8) . . ?
C31 C32 C33 117.0(8) . . ?
C34 C33 C32 120.4(9) . . ?
N35 C34 C33 121.9(8) . . ?
C30 N35 C34 117.2(8) . . ?
C30 N35 Ru1 114.7(6) . . ?
C34 N35 Ru1 128.1(6) . . ?
C56 Ru2 N69 101.5(3) . . ?
C56 Ru2 N75 90.7(3) . . ?
N69 Ru2 N75 79.0(3) . . ?
C56 Ru2 N42 78.4(3) . . ?
N69 Ru2 N42 178.8(3) . . ?
N75 Ru2 N42 102.2(3) . . ?
C56 Ru2 N58 98.4(3) . . ?
N69 Ru2 N58 79.5(3) . . ?
N75 Ru2 N58 158.0(3) . . ?
N42 Ru2 N58 99.2(3) . . ?
C56 Ru2 O41 167.7(3) . . ?
N69 Ru2 O41 90.3(2) . . ?
N75 Ru2 O41 88.4(2) . . ?
N42 Ru2 O41 89.8(2) . . ?
N58 Ru2 O41 86.8(2) . . ?
C47 N42 C43 119.1(7) . . ?
C47 N42 Ru2 115.1(5) . . ?
C43 N42 Ru2 125.8(5) . . ?
N42 C43 C44 121.9(8) . . ?
C43 C44 C45 119.7(8) . . ?
C46 C45 C44 119.1(8) . . ?
C45 C46 C47 117.9(8) . . ?
N42 C47 C46 122.3(7) . . ?
N42 C47 N48 114.1(7) . . ?
C46 C47 N48 123.6(7) . . ?
C56 N48 C49 111.0(6) . . ?
C56 N48 C47 115.8(6) . . ?
C49 N48 C47 133.0(7) . . ?
C50 C49 C54 121.7(8) . . ?
C50 C49 N48 133.5(8) . . ?
C54 C49 N48 104.8(7) . . ?
C49 C50 C51 116.7(9) . . ?
C52 C51 C50 121.6(8) . . ?
C51 C52 C53 122.7(8) . . ?
C52 C53 C54 115.5(9) . . ?
C49 C54 N55 108.9(7) . . ?
C49 C54 C53 121.7(8) . . ?
N55 C54 C53 129.4(8) . . ?
C56 N55 C54 110.2(7) . . ?
C56 N55 C57 124.9(7) . . ?
C54 N55 C57 124.9(7) . . ?
N55 C56 N48 105.2(6) . . ?
N55 C56 Ru2 138.2(6) . . ?
N48 C56 Ru2 116.5(5) . . ?
C59 N58 C63 119.3(7) . . ?
C59 N58 Ru2 128.5(6) . . ?
C63 N58 Ru2 112.1(5) . . ?
N58 C59 C60 122.8(8) . . ?
C59 C60 C61 118.9(8) . . ?
C62 C61 C60 118.7(8) . . ?
C61 C62 C63 120.4(8) . . ?
N58 C63 C62 120.0(8) . . ?
N58 C63 C64 116.5(7) . . ?
C62 C63 C64 123.4(8) . . ?
N69 C64 C65 118.8(7) . . ?
N69 C64 C63 113.4(7) . . ?
C65 C64 C63 127.8(8) . . ?
C66 C65 C64 119.3(8) . . ?
C65 C66 C67 120.2(9) . . ?
C68 C67 C66 119.5(8) . . ?
N69 C68 C67 119.6(8) . . ?
N69 C68 C70 112.7(8) . . ?
C67 C68 C70 127.4(8) . . ?
C68 N69 C64 122.5(7) . . ?
C68 N69 Ru2 119.0(6) . . ?
C64 N69 Ru2 118.4(5) . . ?
N75 C70 C71 121.6(8) . . ?
N75 C70 C68 115.5(7) . . ?
C71 C70 C68 122.9(8) . . ?
C70 C71 C72 118.3(9) . . ?
C73 C72 C71 119.9(8) . . ?
C72 C73 C74 118.1(9) . . ?
N75 C74 C73 123.7(9) . . ?
C74 N75 C70 118.3(7) . . ?
C74 N75 Ru2 128.0(6) . . ?
C70 N75 Ru2 113.6(5) . . ?
O81 Cl1 O82 111.3(5) . . ?
O81 Cl1 O80 110.5(5) . . ?
O82 Cl1 O80 109.1(5) . . ?
O81 Cl1 O83 109.5(5) . . ?
O82 Cl1 O83 107.5(5) . . ?
O80 Cl1 O83 108.8(5) . . ?
O84 Cl2 O87 110.0(4) . . ?
O84 Cl2 O85 110.4(5) . . ?
O87 Cl2 O85 108.9(5) . . ?
O84 Cl2 O86 109.5(4) . . ?
O87 Cl2 O86 109.4(5) . . ?
O85 Cl2 O86 108.6(4) . . ?
O90 Cl3 O88 109.8(5) . . ?
O90 Cl3 O91 108.7(4) . . ?
O88 Cl3 O91 110.8(5) . . ?
O90 Cl3 O89 109.4(4) . . ?
O88 Cl3 O89 108.7(4) . . ?
O91 Cl3 O89 109.4(4) . . ?
O95 Cl4 O92 109.4(4) . . ?
O95 Cl4 O94 108.5(4) . . ?
O92 Cl4 O94 110.9(4) . . ?
O95 Cl4 O93 109.2(4) . . ?
O92 Cl4 O93 109.8(4) . . ?
O94 Cl4 O93 109.1(4) . . ?
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 C16 1.933(9) . ?
Ru1 N29 1.966(6) . ?
Ru1 N35 2.063(8) . ?
Ru1 N2 2.093(6) . ?
Ru1 N18 2.102(7) . ?
Ru1 O1 2.188(6) . ?
N2 C3 1.322(11) . ?
N2 C7 1.357(11) . ?
C3 C4 1.404(11) . ?
C4 C5 1.349(13) . ?
C5 C6 1.373(13) . ?
C6 C7 1.397(12) . ?
C7 N8 1.399(11) . ?
N8 C9 1.413(12) . ?
N8 C16 1.418(10) . ?
C9 C14 1.381(12) . ?
C9 C10 1.387(13) . ?
C10 C11 1.377(14) . ?
C11 C12 1.412(14) . ?
C12 C13 1.383(14) . ?
C13 C14 1.389(13) . ?
C14 N15 1.380(12) . ?
N15 C16 1.369(11) . ?
N15 C17 1.456(11) . ?
N18 C19 1.318(11) . ?
N18 C23 1.381(10) . ?
C19 C20 1.371(13) . ?
C20 C21 1.404(13) . ?
C21 C22 1.358(13) . ?
C22 C23 1.382(12) . ?
C23 C24 1.466(12) . ?
C24 N29 1.353(11) . ?
C24 C25 1.402(12) . ?
C25 C26 1.393(13) . ?
C26 C27 1.373(14) . ?
C27 C28 1.383(12) . ?
C28 N29 1.358(11) . ?
C28 C30 1.487(12) . ?
C30 N35 1.357(11) . ?
C30 C31 1.370(13) . ?
C31 C32 1.389(12) . ?
C32 C33 1.398(13) . ?
C33 C34 1.381(13) . ?
C34 N35 1.367(11) . ?
Ru2 C56 1.943(7) . ?
Ru2 N69 1.964(7) . ?
Ru2 N75 2.073(7) . ?
Ru2 N42 2.089(7) . ?
Ru2 N58 2.110(6) . ?
Ru2 O41 2.184(6) . ?
N42 C47 1.324(10) . ?
N42 C43 1.346(11) . ?
C43 C44 1.349(12) . ?
C44 C45 1.386(12) . ?
C45 C46 1.377(12) . ?
C46 C47 1.395(12) . ?
C47 N48 1.405(10) . ?
N48 C56 1.390(10) . ?
N48 C49 1.404(10) . ?
C49 C50 1.373(12) . ?
C49 C54 1.381(12) . ?
C50 C51 1.398(12) . ?
C51 C52 1.362(14) . ?
C52 C53 1.385(12) . ?
C53 C54 1.406(12) . ?
C54 N55 1.386(10) . ?
N55 C56 1.364(10) . ?
N55 C57 1.436(10) . ?
N58 C59 1.332(11) . ?
N58 C63 1.347(11) . ?
C59 C60 1.361(12) . ?
C60 C61 1.387(14) . ?
C61 C62 1.358(13) . ?
C62 C63 1.395(12) . ?
C63 C64 1.468(12) . ?
C64 N69 1.357(10) . ?
C64 C65 1.399(12) . ?
C65 C66 1.366(13) . ?
C66 C67 1.393(12) . ?
C67 C68 1.368(12) . ?
C68 N69 1.345(11) . ?
C68 C70 1.471(12) . ?
C70 N75 1.344(11) . ?
C70 C71 1.395(13) . ?
C71 C72 1.406(13) . ?
C72 C73 1.358(14) . ?
C73 C74 1.386(13) . ?
C74 N75 1.337(11) . ?
Cl1 O81 1.390(8) . ?
Cl1 O82 1.413(8) . ?
Cl1 O80 1.421(8) . ?
Cl1 O83 1.432(7) . ?
Cl2 O84 1.423(7) . ?
Cl2 O87 1.426(7) . ?
Cl2 O85 1.437(8) . ?
Cl2 O86 1.442(7) . ?
Cl3 O90 1.421(7) . ?
Cl3 O88 1.425(8) . ?
Cl3 O91 1.435(7) . ?
Cl3 O89 1.441(6) . ?
Cl4 O95 1.429(7) . ?
Cl4 O92 1.432(7) . ?
Cl4 O94 1.435(7) . ?
Cl4 O93 1.451(6) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 Ru1 N2 C3 -176.7(8) . . . . ?
N29 Ru1 N2 C3 -108(9) . . . . ?
N35 Ru1 N2 C3 -84.5(7) . . . . ?
N18 Ru1 N2 C3 90.0(7) . . . . ?
O1 Ru1 N2 C3 3.3(7) . . . . ?
C16 Ru1 N2 C7 -1.5(6) . . . . ?
N29 Ru1 N2 C7 67(10) . . . . ?
N35 Ru1 N2 C7 90.6(6) . . . . ?
N18 Ru1 N2 C7 -94.9(6) . . . . ?
O1 Ru1 N2 C7 178.5(6) . . . . ?
C7 N2 C3 C4 1.5(12) . . . . ?
Ru1 N2 C3 C4 176.5(7) . . . . ?
N2 C3 C4 C5 -1.0(14) . . . . ?
C3 C4 C5 C6 1.0(14) . . . . ?
C4 C5 C6 C7 -1.5(14) . . . . ?
C3 N2 C7 C6 -2.0(12) . . . . ?
Ru1 N2 C7 C6 -177.6(7) . . . . ?
C3 N2 C7 N8 177.7(7) . . . . ?
Ru1 N2 C7 N8 2.1(9) . . . . ?
C5 C6 C7 N2 2.1(13) . . . . ?
C5 C6 C7 N8 -177.6(8) . . . . ?
N2 C7 N8 C9 -178.4(8) . . . . ?
C6 C7 N8 C9 1.3(14) . . . . ?
N2 C7 N8 C16 -1.7(10) . . . . ?
C6 C7 N8 C16 178.0(8) . . . . ?
C7 N8 C9 C14 175.3(8) . . . . ?
C16 N8 C9 C14 -1.6(9) . . . . ?
C7 N8 C9 C10 -1.7(16) . . . . ?
C16 N8 C9 C10 -178.6(10) . . . . ?
C14 C9 C10 C11 1.7(13) . . . . ?
N8 C9 C10 C11 178.3(9) . . . . ?
C9 C10 C11 C12 -0.8(14) . . . . ?
C10 C11 C12 C13 0.6(15) . . . . ?
C11 C12 C13 C14 -1.2(14) . . . . ?
C10 C9 C14 N15 179.4(8) . . . . ?
N8 C9 C14 N15 2.0(9) . . . . ?
C10 C9 C14 C13 -2.5(14) . . . . ?
N8 C9 C14 C13 -179.9(8) . . . . ?
C12 C13 C14 N15 179.7(9) . . . . ?
C12 C13 C14 C9 2.1(14) . . . . ?
C9 C14 N15 C16 -1.8(10) . . . . ?
C13 C14 N15 C16 -179.7(9) . . . . ?
C9 C14 N15 C17 -179.6(8) . . . . ?
C13 C14 N15 C17 2.5(15) . . . . ?
C14 N15 C16 N8 0.7(9) . . . . ?
C17 N15 C16 N8 178.6(8) . . . . ?
C14 N15 C16 Ru1 -175.4(8) . . . . ?
C17 N15 C16 Ru1 2.6(14) . . . . ?
C7 N8 C16 N15 -176.8(7) . . . . ?
C9 N8 C16 N15 0.6(9) . . . . ?
C7 N8 C16 Ru1 0.4(10) . . . . ?
C9 N8 C16 Ru1 177.8(5) . . . . ?
N29 Ru1 C16 N15 -2.0(10) . . . . ?
N35 Ru1 C16 N15 77.9(10) . . . . ?
N2 Ru1 C16 N15 176.3(10) . . . . ?
N18 Ru1 C16 N15 -82.4(10) . . . . ?
O1 Ru1 C16 N15 176.3(18) . . . . ?
N29 Ru1 C16 N8 -177.7(6) . . . . ?
N35 Ru1 C16 N8 -97.9(6) . . . . ?
N2 Ru1 C16 N8 0.6(6) . . . . ?
N18 Ru1 C16 N8 101.9(6) . . . . ?
O1 Ru1 C16 N8 1(3) . . . . ?
C16 Ru1 N18 C19 -86.5(8) . . . . ?
N29 Ru1 N18 C19 174.3(8) . . . . ?
N35 Ru1 N18 C19 158.9(7) . . . . ?
N2 Ru1 N18 C19 -6.3(8) . . . . ?
O1 Ru1 N18 C19 86.3(8) . . . . ?
C16 Ru1 N18 C23 101.4(6) . . . . ?
N29 Ru1 N18 C23 2.1(6) . . . . ?
N35 Ru1 N18 C23 -13.2(11) . . . . ?
N2 Ru1 N18 C23 -178.4(6) . . . . ?
O1 Ru1 N18 C23 -85.9(6) . . . . ?
C23 N18 C19 C20 -0.6(14) . . . . ?
Ru1 N18 C19 C20 -172.3(7) . . . . ?
N18 C19 C20 C21 0.1(15) . . . . ?
C19 C20 C21 C22 -1.3(14) . . . . ?
C20 C21 C22 C23 3.1(14) . . . . ?
C19 N18 C23 C22 2.3(13) . . . . ?
Ru1 N18 C23 C22 175.2(7) . . . . ?
C19 N18 C23 C24 -176.8(8) . . . . ?
Ru1 N18 C23 C24 -3.8(9) . . . . ?
C21 C22 C23 N18 -3.6(14) . . . . ?
C21 C22 C23 C24 175.4(9) . . . . ?
N18 C23 C24 N29 4.0(11) . . . . ?
C22 C23 C24 N29 -175.1(8) . . . . ?
N18 C23 C24 C25 -177.9(9) . . . . ?
C22 C23 C24 C25 3.1(15) . . . . ?
N29 C24 C25 C26 0.6(14) . . . . ?
C23 C24 C25 C26 -177.4(8) . . . . ?
C24 C25 C26 C27 3.6(14) . . . . ?
C25 C26 C27 C28 -2.3(15) . . . . ?
C26 C27 C28 N29 -3.4(15) . . . . ?
C26 C27 C28 C30 178.3(9) . . . . ?
C25 C24 N29 C28 -6.5(13) . . . . ?
C23 C24 N29 C28 171.8(8) . . . . ?
C25 C24 N29 Ru1 179.7(7) . . . . ?
C23 C24 N29 Ru1 -2.1(10) . . . . ?
C27 C28 N29 C24 7.8(13) . . . . ?
C30 C28 N29 C24 -173.6(8) . . . . ?
C27 C28 N29 Ru1 -178.3(7) . . . . ?
C30 C28 N29 Ru1 0.3(10) . . . . ?
C16 Ru1 N29 C24 -93.7(7) . . . . ?
N35 Ru1 N29 C24 174.3(7) . . . . ?
N2 Ru1 N29 C24 -162(9) . . . . ?
N18 Ru1 N29 C24 0.0(6) . . . . ?
O1 Ru1 N29 C24 86.5(7) . . . . ?
C16 Ru1 N29 C28 92.1(7) . . . . ?
N35 Ru1 N29 C28 0.2(6) . . . . ?
N2 Ru1 N29 C28 24(10) . . . . ?
N18 Ru1 N29 C28 -174.1(7) . . . . ?
O1 Ru1 N29 C28 -87.6(6) . . . . ?
N29 C28 C30 N35 -0.9(11) . . . . ?
C27 C28 C30 N35 177.5(10) . . . . ?
N29 C28 C30 C31 179.7(8) . . . . ?
C27 C28 C30 C31 -1.8(15) . . . . ?
N35 C30 C31 C32 0.3(14) . . . . ?
C28 C30 C31 C32 179.6(9) . . . . ?
C30 C31 C32 C33 -0.8(14) . . . . ?
C31 C32 C33 C34 1.7(14) . . . . ?
C32 C33 C34 N35 -2.2(14) . . . . ?
C31 C30 N35 C34 -0.8(13) . . . . ?
C28 C30 N35 C34 179.9(7) . . . . ?
C31 C30 N35 Ru1 -179.6(7) . . . . ?
C28 C30 N35 Ru1 1.1(10) . . . . ?
C33 C34 N35 C30 1.7(12) . . . . ?
C33 C34 N35 Ru1 -179.7(7) . . . . ?
C16 Ru1 N35 C30 -100.3(6) . . . . ?
N29 Ru1 N35 C30 -0.7(6) . . . . ?
N2 Ru1 N35 C30 -180.0(6) . . . . ?
N18 Ru1 N35 C30 14.6(11) . . . . ?
O1 Ru1 N35 C30 87.0(6) . . . . ?
C16 Ru1 N35 C34 81.1(7) . . . . ?
N29 Ru1 N35 C34 -179.4(8) . . . . ?
N2 Ru1 N35 C34 1.4(8) . . . . ?
N18 Ru1 N35 C34 -164.0(7) . . . . ?
O1 Ru1 N35 C34 -91.6(7) . . . . ?
C56 Ru2 N42 C47 -2.6(5) . . . . ?
N69 Ru2 N42 C47 84(12) . . . . ?
N75 Ru2 N42 C47 -90.7(6) . . . . ?
N58 Ru2 N42 C47 94.1(6) . . . . ?
O41 Ru2 N42 C47 -179.1(5) . . . . ?
C56 Ru2 N42 C43 179.8(7) . . . . ?
N69 Ru2 N42 C43 -94(12) . . . . ?
N75 Ru2 N42 C43 91.6(7) . . . . ?
N58 Ru2 N42 C43 -83.5(7) . . . . ?
O41 Ru2 N42 C43 3.3(7) . . . . ?
C47 N42 C43 C44 -0.7(12) . . . . ?
Ru2 N42 C43 C44 176.9(6) . . . . ?
N42 C43 C44 C45 1.6(13) . . . . ?
C43 C44 C45 C46 -0.6(13) . . . . ?
C44 C45 C46 C47 -1.2(13) . . . . ?
C43 N42 C47 C46 -1.3(12) . . . . ?
Ru2 N42 C47 C46 -179.1(6) . . . . ?
C43 N42 C47 N48 179.6(7) . . . . ?
Ru2 N42 C47 N48 1.8(8) . . . . ?
C45 C46 C47 N42 2.2(12) . . . . ?
C45 C46 C47 N48 -178.7(8) . . . . ?
N42 C47 N48 C56 0.6(10) . . . . ?
C46 C47 N48 C56 -178.6(7) . . . . ?
N42 C47 N48 C49 174.1(7) . . . . ?
C46 C47 N48 C49 -5.0(13) . . . . ?
C56 N48 C49 C50 -177.9(9) . . . . ?
C47 N48 C49 C50 8.3(15) . . . . ?
C56 N48 C49 C54 0.3(9) . . . . ?
C47 N48 C49 C54 -173.5(8) . . . . ?
C54 C49 C50 C51 -0.7(12) . . . . ?
N48 C49 C50 C51 177.3(8) . . . . ?
C49 C50 C51 C52 0.1(13) . . . . ?
C50 C51 C52 C53 1.4(14) . . . . ?
C51 C52 C53 C54 -2.2(13) . . . . ?
C50 C49 C54 N55 178.4(7) . . . . ?
N48 C49 C54 N55 -0.1(9) . . . . ?
C50 C49 C54 C53 -0.1(13) . . . . ?
N48 C49 C54 C53 -178.6(7) . . . . ?
C52 C53 C54 C49 1.5(12) . . . . ?
C52 C53 C54 N55 -176.7(8) . . . . ?
C49 C54 N55 C56 -0.1(9) . . . . ?
C53 C54 N55 C56 178.3(8) . . . . ?
C49 C54 N55 C57 177.3(7) . . . . ?
C53 C54 N55 C57 -4.3(13) . . . . ?
C54 N55 C56 N48 0.3(8) . . . . ?
C57 N55 C56 N48 -177.2(7) . . . . ?
C54 N55 C56 Ru2 176.9(6) . . . . ?
C57 N55 C56 Ru2 -0.6(13) . . . . ?
C49 N48 C56 N55 -0.3(8) . . . . ?
C47 N48 C56 N55 174.6(6) . . . . ?
C49 N48 C56 Ru2 -177.8(5) . . . . ?
C47 N48 C56 Ru2 -2.9(8) . . . . ?
N69 Ru2 C56 N55 7.8(9) . . . . ?
N75 Ru2 C56 N55 -71.2(9) . . . . ?
N42 Ru2 C56 N55 -173.5(9) . . . . ?
N58 Ru2 C56 N55 88.7(9) . . . . ?
O41 Ru2 C56 N55 -156.9(9) . . . . ?
N69 Ru2 C56 N48 -175.9(5) . . . . ?
N75 Ru2 C56 N48 105.2(6) . . . . ?
N42 Ru2 C56 N48 2.8(5) . . . . ?
N58 Ru2 C56 N48 -94.9(6) . . . . ?
O41 Ru2 C56 N48 19.4(16) . . . . ?
C56 Ru2 N58 C59 83.4(7) . . . . ?
N69 Ru2 N58 C59 -176.3(8) . . . . ?
N75 Ru2 N58 C59 -163.3(7) . . . . ?
N42 Ru2 N58 C59 3.9(7) . . . . ?
O41 Ru2 N58 C59 -85.4(7) . . . . ?
C56 Ru2 N58 C63 -101.4(6) . . . . ?
N69 Ru2 N58 C63 -1.1(6) . . . . ?
N75 Ru2 N58 C63 11.9(11) . . . . ?
N42 Ru2 N58 C63 179.1(6) . . . . ?
O41 Ru2 N58 C63 89.8(6) . . . . ?
C63 N58 C59 C60 -2.9(13) . . . . ?
Ru2 N58 C59 C60 172.0(7) . . . . ?
N58 C59 C60 C61 3.9(14) . . . . ?
C59 C60 C61 C62 -2.5(14) . . . . ?
C60 C61 C62 C63 0.4(13) . . . . ?
C59 N58 C63 C62 0.7(12) . . . . ?
Ru2 N58 C63 C62 -175.0(6) . . . . ?
C59 N58 C63 C64 177.1(7) . . . . ?
Ru2 N58 C63 C64 1.4(9) . . . . ?
C61 C62 C63 N58 0.6(13) . . . . ?
C61 C62 C63 C64 -175.6(8) . . . . ?
N58 C63 C64 N69 -0.9(11) . . . . ?
C62 C63 C64 N69 175.4(7) . . . . ?
N58 C63 C64 C65 -178.9(8) . . . . ?
C62 C63 C64 C65 -2.6(13) . . . . ?
N69 C64 C65 C66 -1.9(12) . . . . ?
C63 C64 C65 C66 176.0(8) . . . . ?
C64 C65 C66 C67 0.2(13) . . . . ?
C65 C66 C67 C68 2.4(14) . . . . ?
C66 C67 C68 N69 -3.2(13) . . . . ?
C66 C67 C68 C70 -176.3(8) . . . . ?
C67 C68 N69 C64 1.4(12) . . . . ?
C70 C68 N69 C64 175.5(7) . . . . ?
C67 C68 N69 Ru2 -175.4(6) . . . . ?
C70 C68 N69 Ru2 -1.4(9) . . . . ?
C65 C64 N69 C68 1.1(12) . . . . ?
C63 C64 N69 C68 -177.0(7) . . . . ?
C65 C64 N69 Ru2 178.0(6) . . . . ?
C63 C64 N69 Ru2 -0.1(9) . . . . ?
C56 Ru2 N69 C68 -85.8(6) . . . . ?
N75 Ru2 N69 C68 2.6(6) . . . . ?
N42 Ru2 N69 C68 -172(60) . . . . ?
N58 Ru2 N69 C68 177.7(6) . . . . ?
O41 Ru2 N69 C68 91.0(6) . . . . ?
C56 Ru2 N69 C64 97.2(6) . . . . ?
N75 Ru2 N69 C64 -174.4(6) . . . . ?
N42 Ru2 N69 C64 11(13) . . . . ?
N58 Ru2 N69 C64 0.7(6) . . . . ?
O41 Ru2 N69 C64 -86.0(6) . . . . ?
N69 C68 C70 N75 -1.7(11) . . . . ?
C67 C68 C70 N75 171.8(8) . . . . ?
N69 C68 C70 C71 177.4(8) . . . . ?
C67 C68 C70 C71 -9.0(14) . . . . ?
N75 C70 C71 C72 -4.3(13) . . . . ?
C68 C70 C71 C72 176.6(8) . . . . ?
C70 C71 C72 C73 0.4(13) . . . . ?
C71 C72 C73 C74 2.2(13) . . . . ?
C72 C73 C74 N75 -1.0(13) . . . . ?
C73 C74 N75 C70 -2.8(12) . . . . ?
C73 C74 N75 Ru2 178.2(6) . . . . ?
C71 C70 N75 C74 5.5(12) . . . . ?
C68 C70 N75 C74 -175.3(7) . . . . ?
C71 C70 N75 Ru2 -175.4(6) . . . . ?
C68 C70 N75 Ru2 3.8(9) . . . . ?
C56 Ru2 N75 C74 -82.8(7) . . . . ?
N69 Ru2 N75 C74 175.6(7) . . . . ?
N42 Ru2 N75 C74 -4.6(7) . . . . ?
N58 Ru2 N75 C74 162.5(7) . . . . ?
O41 Ru2 N75 C74 84.9(7) . . . . ?
C56 Ru2 N75 C70 98.1(6) . . . . ?
N69 Ru2 N75 C70 -3.5(5) . . . . ?
N42 Ru2 N75 C70 176.4(5) . . . . ?
N58 Ru2 N75 C70 -16.5(10) . . . . ?
O41 Ru2 N75 C70 -94.1(6) . . . . ?
