#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:33:06 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179066 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/28/4302896.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_4302896
loop_
_publ_author_name
'Mahendra Yadav'
'Ashish Kumar Singh'
'Biswajit Maiti'
'Daya Shankar Pandey'
_publ_section_title
;
Heteroleptic Arene Ruthenium Complexes Based onmeso-Substituted Dipyrrins:
Synthesis, Structure, Reactivity, and Electrochemical Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7593
_journal_page_last               7603
_journal_paper_doi               10.1021/ic9000957
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C25 H24 Cl N3 O2 Ru'
_chemical_formula_weight         534.99
_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                108.592(3)
_cell_angle_beta                 101.479(3)
_cell_angle_gamma                109.477(3)
_cell_formula_units_Z            6
_cell_length_a                   14.860(3)
_cell_length_b                   16.732(3)
_cell_length_c                   17.731(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3702.3(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32947
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.769
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         2.013
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     874
_refine_ls_number_reflns         12990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1165P)²+1.6260P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1684
_refine_ls_wR_factor_ref         0.1840
_reflns_number_gt                9953
_reflns_number_total             12990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9000957_si_001_3.cif
_cod_data_source_block           comp3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3702.4(12)
_cod_database_code               4302896
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 0.14716(3) 0.12707(3) 0.23074(3) 0.03806(14) Uani 1 1 d . . .
Ru2 Ru 0.36525(3) 0.45606(3) 0.63930(3) 0.04566(15) Uani 1 1 d . . .
Ru3 Ru 0.30901(3) 0.24206(3) 0.90767(3) 0.04903(16) Uani 1 1 d . . .
Cl1 Cl -0.03115(11) 0.08766(11) 0.19284(10) 0.0573(4) Uani 1 1 d . . .
Cl2 Cl 0.41334(14) 0.35648(13) 0.54150(10) 0.0696(5) Uani 1 1 d . . .
Cl3 Cl 0.25195(14) 0.34019(14) 0.85743(11) 0.0707(5) Uani 1 1 d . . .
N1 N 0.1290(3) 0.0638(3) 0.3136(3) 0.0432(11) Uani 1 1 d . . .
N2 N 0.1053(3) -0.0053(3) 0.1401(3) 0.0421(10) Uani 1 1 d . . .
N3 N 0.1264(7) -0.4155(6) 0.2604(6) 0.107(3) Uani 1 1 d . . .
N4 N 0.2850(3) 0.4665(3) 0.5354(3) 0.0484(11) Uani 1 1 d . . .
N5 N 0.2347(3) 0.3391(3) 0.6090(3) 0.0471(11) Uani 1 1 d . . .
N6 N -0.3114(5) 0.1920(6) 0.3235(6) 0.095(2) Uani 1 1 d . . .
N7 N 0.2629(3) 0.1498(3) 0.7822(3) 0.0483(11) Uani 1 1 d . . .
N8 N 0.4432(4) 0.3089(3) 0.8914(3) 0.0556(13) Uani 1 1 d . . .
N9 N 0.6397(6) 0.1199(7) 0.5291(5) 0.103(3) Uani 1 1 d . . .
O1 O 0.0622(7) -0.4630(6) 0.2773(7) 0.162(4) Uani 1 1 d . . .
O2 O 0.1981(7) -0.4318(5) 0.2494(6) 0.141(3) Uani 1 1 d . . .
O3 O -0.3494(5) 0.1167(7) 0.2711(6) 0.153(4) Uani 1 1 d . . .
O4 O -0.3601(4) 0.2354(5) 0.3458(6) 0.135(3) Uani 1 1 d . . .
O5 O 0.6526(8) 0.1634(8) 0.4867(6) 0.171(4) Uani 1 1 d . . .
O6 O 0.6704(6) 0.0606(7) 0.5287(5) 0.146(3) Uani 1 1 d . . .
C1 C 0.0930(4) -0.0243(4) 0.0586(3) 0.0526(15) Uani 1 1 d . . .
H1 H 0.0936 0.0174 0.0342 0.063 Uiso 1 1 calc R . .
C2 C 0.0790(5) -0.1166(5) 0.0147(4) 0.0645(18) Uani 1 1 d . . .
H2 H 0.0682 -0.1462 -0.0426 0.077 Uiso 1 1 calc R . .
C3 C 0.0843(5) -0.1537(4) 0.0718(4) 0.0585(16) Uani 1 1 d . . .
H3 H 0.0784 -0.2136 0.0612 0.070 Uiso 1 1 calc R . .
C4 C 0.1002(4) -0.0848(4) 0.1506(3) 0.0433(13) Uani 1 1 d . . .
C5 C 0.1072(4) -0.0931(4) 0.2269(3) 0.0431(13) Uani 1 1 d . . .
C6 C 0.1190(4) -0.0253(4) 0.3021(3) 0.0426(13) Uani 1 1 d . . .
C7 C 0.1248(5) -0.0323(5) 0.3809(4) 0.0614(17) Uani 1 1 d . . .
H7 H 0.1223 -0.0834 0.3922 0.074 Uiso 1 1 calc R . .
C8 C 0.1346(6) 0.0506(5) 0.4361(4) 0.069(2) Uani 1 1 d . . .
H8 H 0.1390 0.0666 0.4924 0.083 Uiso 1 1 calc R . .
C9 C 0.1369(5) 0.1074(5) 0.3928(4) 0.0577(16) Uani 1 1 d . . .
H9 H 0.1433 0.1680 0.4166 0.069 Uiso 1 1 calc R . .
C10 C 0.1074(4) -0.1817(4) 0.2298(4) 0.0488(14) Uani 1 1 d . . .
C11 C 0.1909(5) -0.2001(5) 0.2258(5) 0.0656(18) Uani 1 1 d . . .
H11 H 0.2433 -0.1603 0.2158 0.079 Uiso 1 1 calc R . .
C12 C 0.1978(6) -0.2744(6) 0.2361(5) 0.077(2) Uani 1 1 d . . .
H12 H 0.2556 -0.2844 0.2355 0.093 Uiso 1 1 calc R . .
C13 C 0.1187(6) -0.3350(5) 0.2473(5) 0.0694(19) Uani 1 1 d . . .
C14 C 0.0344(6) -0.3211(5) 0.2481(5) 0.081(2) Uani 1 1 d . . .
H14 H -0.0191 -0.3633 0.2549 0.097 Uiso 1 1 calc R . .
C15 C 0.0277(5) -0.2447(5) 0.2389(5) 0.0696(19) Uani 1 1 d . . .
H15 H -0.0306 -0.2354 0.2389 0.084 Uiso 1 1 calc R . .
C16 C 0.3129(4) 0.1890(4) 0.2612(5) 0.0593(17) Uani 1 1 d . . .
C17 C 0.2616(5) 0.1790(4) 0.1796(4) 0.0592(17) Uani 1 1 d . . .
H17 H 0.2744 0.1453 0.1334 0.071 Uiso 1 1 calc R . .
C18 C 0.1929(5) 0.2173(4) 0.1651(4) 0.0563(16) Uani 1 1 d . . .
H18 H 0.1625 0.2098 0.1106 0.068 Uiso 1 1 calc R . .
C19 C 0.1695(5) 0.2678(4) 0.2337(4) 0.0506(14) Uani 1 1 d . . .
C20 C 0.2181(5) 0.2783(4) 0.3160(4) 0.0526(15) Uani 1 1 d . . .
H20 H 0.2050 0.3116 0.3622 0.063 Uiso 1 1 calc R . .
C21 C 0.2863(4) 0.2382(4) 0.3274(4) 0.0556(16) Uani 1 1 d . . .
H21 H 0.3157 0.2444 0.3816 0.067 Uiso 1 1 calc R . .
C22 C 0.3910(5) 0.1528(5) 0.2772(5) 0.076(2) Uani 1 1 d . . .
H22 H 0.4559 0.1989 0.2821 0.092 Uiso 1 1 calc R . .
C23 C 0.3685(9) 0.0605(9) 0.2072(9) 0.170(6) Uani 1 1 d . . .
H23A H 0.4128 0.0351 0.2267 0.255 Uiso 1 1 calc R . .
H23B H 0.3792 0.0703 0.1586 0.255 Uiso 1 1 calc R . .
H23C H 0.2991 0.0177 0.1921 0.255 Uiso 1 1 calc R . .
C24 C 0.4065(10) 0.1369(10) 0.3548(8) 0.155(5) Uani 1 1 d . . .
H24A H 0.3443 0.0909 0.3513 0.233 Uiso 1 1 calc R . .
H24B H 0.4266 0.1942 0.4029 0.233 Uiso 1 1 calc R . .
H24C H 0.4586 0.1153 0.3610 0.233 Uiso 1 1 calc R . .
C25 C 0.0953(6) 0.3069(4) 0.2187(4) 0.0670(19) Uani 1 1 d . . .
H25A H 0.0346 0.2726 0.2267 0.100 Uiso 1 1 calc R . .
H25B H 0.0793 0.3022 0.1618 0.100 Uiso 1 1 calc R . .
H25C H 0.1240 0.3712 0.2578 0.100 Uiso 1 1 calc R . .
C26 C 0.2269(5) 0.2794(4) 0.6445(4) 0.0563(16) Uani 1 1 d . . .
H26 H 0.2817 0.2795 0.6808 0.068 Uiso 1 1 calc R . .
C27 C 0.1262(5) 0.2164(5) 0.6205(4) 0.0635(17) Uani 1 1 d . . .
H27 H 0.1028 0.1686 0.6376 0.076 Uiso 1 1 calc R . .
C28 C 0.0687(5) 0.2377(4) 0.5675(4) 0.0552(15) Uani 1 1 d . . .
H28 H -0.0015 0.2073 0.5415 0.066 Uiso 1 1 calc R . .
C29 C 0.1353(4) 0.3146(4) 0.5592(3) 0.0453(13) Uani 1 1 d . . .
C30 C 0.1114(4) 0.3574(4) 0.5078(3) 0.0441(13) Uani 1 1 d . . .
C31 C 0.1806(4) 0.4284(4) 0.4963(3) 0.0447(13) Uani 1 1 d . . .
C32 C 0.1609(5) 0.4652(4) 0.4363(4) 0.0533(15) Uani 1 1 d . . .
H32 H 0.0973 0.4517 0.4012 0.064 Uiso 1 1 calc R . .
C33 C 0.2523(6) 0.5239(5) 0.4395(4) 0.0629(17) Uani 1 1 d . . .
H33 H 0.2630 0.5579 0.4071 0.076 Uiso 1 1 calc R . .
C34 C 0.3266(5) 0.5231(4) 0.5010(4) 0.0622(17) Uani 1 1 d . . .
H34 H 0.3961 0.5576 0.5160 0.075 Uiso 1 1 calc R . .
C35 C 0.0020(4) 0.3178(4) 0.4574(4) 0.0474(14) Uani 1 1 d . . .
C36 C -0.0411(5) 0.2400(5) 0.3816(4) 0.0633(18) Uani 1 1 d . . .
H36 H 0.0001 0.2152 0.3592 0.076 Uiso 1 1 calc R . .
C37 C -0.1442(5) 0.1984(5) 0.3382(4) 0.070(2) Uani 1 1 d . . .
H37 H -0.1728 0.1445 0.2881 0.084 Uiso 1 1 calc R . .
C38 C -0.2028(5) 0.2368(5) 0.3692(5) 0.0659(18) Uani 1 1 d . . .
C39 C -0.1626(6) 0.3162(6) 0.4425(6) 0.087(3) Uani 1 1 d . . .
H39 H -0.2041 0.3422 0.4625 0.104 Uiso 1 1 calc R . .
C40 C -0.0594(6) 0.3572(5) 0.4863(5) 0.079(2) Uani 1 1 d . . .
H40 H -0.0312 0.4118 0.5356 0.095 Uiso 1 1 calc R . .
C41 C 0.3572(6) 0.5643(6) 0.7416(5) 0.081(2) Uani 1 1 d . . .
C42 C 0.3755(5) 0.4997(6) 0.7699(4) 0.078(2) Uani 1 1 d . . .
H42 H 0.3316 0.4700 0.7932 0.093 Uiso 1 1 calc R . .
C43 C 0.4594(5) 0.4789(5) 0.7636(4) 0.0637(18) Uani 1 1 d . . .
H43 H 0.4714 0.4367 0.7830 0.076 Uiso 1 1 calc R . .
C44 C 0.5239(5) 0.5238(5) 0.7272(4) 0.0659(19) Uani 1 1 d . . .
C45 C 0.5042(6) 0.5858(5) 0.6995(4) 0.071(2) Uani 1 1 d . . .
H45 H 0.5471 0.6161 0.6759 0.085 Uiso 1 1 calc R . .
C46 C 0.4242(7) 0.6033(5) 0.7058(5) 0.087(3) Uani 1 1 d . . .
H46 H 0.4128 0.6446 0.6847 0.104 Uiso 1 1 calc R . .
C47 C 0.2719(10) 0.5910(10) 0.7516(8) 0.159(6) Uani 1 1 d . . .
H47 H 0.2560 0.6087 0.7047 0.191 Uiso 1 1 calc R . .
C48 C 0.1878(10) 0.5325(12) 0.7434(12) 0.244(12) Uani 1 1 d . . .
H48A H 0.1777 0.4712 0.7077 0.366 Uiso 1 1 calc R . .
H48B H 0.1347 0.5464 0.7182 0.366 Uiso 1 1 calc R . .
H48C H 0.1862 0.5351 0.7980 0.366 Uiso 1 1 calc R . .
C49 C 0.3124(12) 0.6792(12) 0.8271(10) 0.271(13) Uani 1 1 d . . .
H49A H 0.2669 0.7083 0.8234 0.406 Uiso 1 1 calc R . .
H49B H 0.3778 0.7199 0.8304 0.406 Uiso 1 1 calc R . .
H49C H 0.3190 0.6670 0.8768 0.406 Uiso 1 1 calc R . .
C50 C 0.6118(6) 0.5008(7) 0.7172(6) 0.113(4) Uani 1 1 d . . .
H50A H 0.6166 0.4952 0.6627 0.169 Uiso 1 1 calc R . .
H50B H 0.6011 0.4430 0.7217 0.169 Uiso 1 1 calc R . .
H50C H 0.6735 0.5496 0.7607 0.169 Uiso 1 1 calc R . .
C51 C 0.5191(5) 0.3896(5) 0.9517(4) 0.0662(18) Uani 1 1 d . . .
H51 H 0.5141 0.4248 1.0019 0.079 Uiso 1 1 calc R . .
C52 C 0.6053(5) 0.4133(5) 0.9295(5) 0.073(2) Uani 1 1 d . . .
H52 H 0.6669 0.4657 0.9607 0.087 Uiso 1 1 calc R . .
C53 C 0.5808(5) 0.3427(5) 0.8506(5) 0.0677(19) Uani 1 1 d . . .
H53 H 0.6235 0.3390 0.8190 0.081 Uiso 1 1 calc R . .
C54 C 0.4799(4) 0.2781(4) 0.8274(4) 0.0520(14) Uani 1 1 d . . .
C55 C 0.4226(5) 0.1967(4) 0.7534(4) 0.0511(14) Uani 1 1 d . . .
C56 C 0.3223(5) 0.1371(4) 0.7312(4) 0.0502(14) Uani 1 1 d . . .
C57 C 0.2592(5) 0.0581(5) 0.6531(4) 0.0601(16) Uani 1 1 d . . .
H57 H 0.2789 0.0342 0.6076 0.072 Uiso 1 1 calc R . .
C58 C 0.1656(5) 0.0248(5) 0.6580(4) 0.0647(18) Uani 1 1 d . . .
H58 H 0.1086 -0.0267 0.6163 0.078 Uiso 1 1 calc R . .
C59 C 0.1694(5) 0.0819(4) 0.7376(4) 0.0574(16) Uani 1 1 d . . .
H59 H 0.1143 0.0735 0.7565 0.069 Uiso 1 1 calc R . .
C60 C 0.4761(5) 0.1728(5) 0.6913(4) 0.0575(16) Uani 1 1 d . . .
C61 C 0.5084(6) 0.1043(5) 0.6837(5) 0.0696(19) Uani 1 1 d . . .
H61 H 0.4938 0.0693 0.7149 0.083 Uiso 1 1 calc R . .
C62 C 0.5613(6) 0.0859(6) 0.6314(5) 0.077(2) Uani 1 1 d . . .
H62 H 0.5842 0.0398 0.6274 0.093 Uiso 1 1 calc R . .
C63 C 0.5803(5) 0.1366(6) 0.5846(4) 0.075(2) Uani 1 1 d . . .
C64 C 0.5462(6) 0.2046(6) 0.5880(5) 0.077(2) Uani 1 1 d . . .
H64 H 0.5596 0.2385 0.5558 0.093 Uiso 1 1 calc R . .
C65 C 0.4920(6) 0.2202(6) 0.6404(5) 0.074(2) Uani 1 1 d . . .
H65 H 0.4653 0.2635 0.6420 0.089 Uiso 1 1 calc R . .
C66 C 0.3409(7) 0.1560(8) 0.9690(7) 0.098(3) Uani 1 1 d . . .
C67 C 0.3964(7) 0.2531(10) 1.0253(6) 0.117(4) Uani 1 1 d . . .
H67 H 0.4667 0.2784 1.0494 0.140 Uiso 1 1 calc R . .
C68 C 0.3460(8) 0.3100(7) 1.0444(4) 0.097(3) Uani 1 1 d . . .
H68 H 0.3836 0.3723 1.0822 0.116 Uiso 1 1 calc R . .
C69 C 0.2419(7) 0.2766(5) 1.0089(5) 0.081(2) Uani 1 1 d . . .
C70 C 0.1872(5) 0.1832(5) 0.9539(4) 0.0620(18) Uani 1 1 d . . .
H70 H 0.1172 0.1592 0.9291 0.074 Uiso 1 1 calc R . .
C71 C 0.2355(6) 0.1251(5) 0.9354(4) 0.0682(19) Uani 1 1 d . . .
H71 H 0.1961 0.0625 0.8990 0.082 Uiso 1 1 calc R . .
C72 C 0.3834(13) 0.0858(14) 0.9412(15) 0.239(12) Uani 1 1 d . . .
H72 H 0.3434 0.0600 0.8810 0.287 Uiso 1 1 calc R . .
C73 C 0.4763(14) 0.1130(12) 0.9299(10) 0.194(7) Uani 1 1 d . . .
H73A H 0.5277 0.1228 0.9787 0.291 Uiso 1 1 calc R . .
H73B H 0.4925 0.1699 0.9225 0.291 Uiso 1 1 calc R . .
H73C H 0.4734 0.0652 0.8806 0.291 Uiso 1 1 calc R . .
C74 C 0.3394(16) -0.0019(15) 0.9498(13) 0.245(10) Uani 1 1 d . . .
H74A H 0.3612 -0.0456 0.9182 0.367 Uiso 1 1 calc R . .
H74B H 0.2667 -0.0269 0.9283 0.367 Uiso 1 1 calc R . .
H74C H 0.3616 0.0095 1.0084 0.367 Uiso 1 1 calc R . .
C75 C 0.1907(9) 0.3399(7) 1.0245(7) 0.130(4) Uani 1 1 d . . .
H75A H 0.1809 0.3584 0.9787 0.195 Uiso 1 1 calc R . .
H75B H 0.2321 0.3941 1.0765 0.195 Uiso 1 1 calc R . .
H75C H 0.1260 0.3080 1.0284 0.195 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Ru1 N1 85.72(17) . . ?
N2 Ru1 C17 88.1(2) . . ?
N1 Ru1 C17 137.7(2) . . ?
N2 Ru1 C21 135.8(2) . . ?
N1 Ru1 C21 89.0(2) . . ?
C17 Ru1 C21 67.4(3) . . ?
N2 Ru1 C16 101.3(2) . . ?
N1 Ru1 C16 102.6(2) . . ?
C17 Ru1 C16 38.2(2) . . ?
C21 Ru1 C16 37.8(2) . . ?
N2 Ru1 C18 103.4(2) . . ?
N1 Ru1 C18 168.3(2) . . ?
C17 Ru1 C18 37.5(2) . . ?
C21 Ru1 C18 79.5(2) . . ?
C16 Ru1 C18 68.7(3) . . ?
N2 Ru1 C20 167.5(2) . . ?
N1 Ru1 C20 103.1(2) . . ?
C17 Ru1 C20 79.5(2) . . ?
C21 Ru1 C20 37.4(2) . . ?
C16 Ru1 C20 68.4(2) . . ?
C18 Ru1 C20 66.9(2) . . ?
N2 Ru1 C19 137.2(2) . . ?
N1 Ru1 C19 136.0(2) . . ?
C17 Ru1 C19 67.5(2) . . ?
C21 Ru1 C19 67.3(2) . . ?
C16 Ru1 C19 81.2(2) . . ?
C18 Ru1 C19 37.3(2) . . ?
C20 Ru1 C19 37.0(2) . . ?
N2 Ru1 Cl1 85.95(13) . . ?
N1 Ru1 Cl1 87.10(13) . . ?
C17 Ru1 Cl1 134.13(19) . . ?
C21 Ru1 Cl1 137.54(19) . . ?
C16 Ru1 Cl1 168.17(18) . . ?
C18 Ru1 Cl1 100.64(19) . . ?
C20 Ru1 Cl1 103.14(17) . . ?
C19 Ru1 Cl1 87.09(16) . . ?
N5 Ru2 N4 85.49(18) . . ?
N5 Ru2 C46 138.3(3) . . ?
N4 Ru2 C46 88.4(3) . . ?
N5 Ru2 C42 88.9(2) . . ?
N4 Ru2 C42 134.5(3) . . ?
C46 Ru2 C42 66.9(3) . . ?
N5 Ru2 C41 103.7(3) . . ?
N4 Ru2 C41 100.3(3) . . ?
C46 Ru2 C41 37.4(3) . . ?
C42 Ru2 C41 38.0(3) . . ?
N5 Ru2 C45 167.5(2) . . ?
N4 Ru2 C45 103.8(2) . . ?
C46 Ru2 C45 35.9(3) . . ?
C42 Ru2 C45 78.7(3) . . ?
C41 Ru2 C45 66.8(3) . . ?
N5 Ru2 C43 103.3(2) . . ?
N4 Ru2 C43 167.0(2) . . ?
C46 Ru2 C43 78.7(3) . . ?
C42 Ru2 C43 38.0(3) . . ?
C41 Ru2 C43 68.6(3) . . ?
C45 Ru2 C43 66.3(3) . . ?
N5 Ru2 C44 136.9(2) . . ?
N4 Ru2 C44 136.9(2) . . ?
C46 Ru2 C44 65.5(3) . . ?
C42 Ru2 C44 67.4(3) . . ?
C41 Ru2 C44 79.8(3) . . ?
C45 Ru2 C44 36.3(3) . . ?
C43 Ru2 C44 37.1(3) . . ?
N5 Ru2 Cl2 87.32(14) . . ?
N4 Ru2 Cl2 86.34(14) . . ?
C46 Ru2 Cl2 133.4(3) . . ?
C42 Ru2 Cl2 138.5(3) . . ?
C41 Ru2 Cl2 167.5(2) . . ?
C45 Ru2 Cl2 101.4(2) . . ?
C43 Ru2 Cl2 103.4(2) . . ?
C44 Ru2 Cl2 88.08(19) . . ?
N8 Ru3 N7 85.63(19) . . ?
N8 Ru3 C67 88.6(3) . . ?
N7 Ru3 C67 134.0(5) . . ?
N8 Ru3 C71 140.0(3) . . ?
N7 Ru3 C71 88.6(2) . . ?
C67 Ru3 C71 67.6(4) . . ?
N8 Ru3 C66 104.5(3) . . ?
N7 Ru3 C66 99.3(4) . . ?
C67 Ru3 C66 38.8(4) . . ?
C71 Ru3 C66 37.7(3) . . ?
N8 Ru3 C68 102.6(3) . . ?
N7 Ru3 C68 166.8(3) . . ?
C67 Ru3 C68 37.7(4) . . ?
C71 Ru3 C68 78.4(3) . . ?
C66 Ru3 C68 68.8(4) . . ?
N8 Ru3 C70 167.5(2) . . ?
N7 Ru3 C70 105.3(2) . . ?
C67 Ru3 C70 79.4(3) . . ?
C71 Ru3 C70 37.1(3) . . ?
C66 Ru3 C70 68.3(3) . . ?
C68 Ru3 C70 65.5(3) . . ?
N8 Ru3 C69 134.5(3) . . ?
N7 Ru3 C69 138.9(3) . . ?
C67 Ru3 C69 67.5(4) . . ?
C71 Ru3 C69 66.6(3) . . ?
C66 Ru3 C69 81.1(3) . . ?
C68 Ru3 C69 36.5(3) . . ?
C70 Ru3 C69 36.4(3) . . ?
N8 Ru3 Cl3 85.36(16) . . ?
N7 Ru3 Cl3 87.78(15) . . ?
C67 Ru3 Cl3 137.2(4) . . ?
C71 Ru3 Cl3 134.0(2) . . ?
C66 Ru3 Cl3 168.2(2) . . ?
C68 Ru3 Cl3 103.0(3) . . ?
C70 Ru3 Cl3 100.8(2) . . ?
C69 Ru3 Cl3 87.3(2) . . ?
C9 N1 C6 107.0(5) . . ?
C9 N1 Ru1 124.2(4) . . ?
C6 N1 Ru1 128.4(3) . . ?
C1 N2 C4 106.7(5) . . ?
C1 N2 Ru1 123.3(4) . . ?
C4 N2 Ru1 129.3(3) . . ?
O1 N3 O2 123.1(8) . . ?
O1 N3 C13 119.5(9) . . ?
O2 N3 C13 117.3(8) . . ?
C34 N4 C31 106.8(5) . . ?
C34 N4 Ru2 124.4(4) . . ?
C31 N4 Ru2 128.2(4) . . ?
C26 N5 C29 106.2(5) . . ?
C26 N5 Ru2 125.0(4) . . ?
C29 N5 Ru2 128.2(4) . . ?
O3 N6 O4 122.4(8) . . ?
O3 N6 C38 120.4(8) . . ?
O4 N6 C38 117.1(8) . . ?
C59 N7 C56 106.3(5) . . ?
C59 N7 Ru3 124.6(4) . . ?
C56 N7 Ru3 128.6(4) . . ?
C51 N8 C54 106.9(5) . . ?
C51 N8 Ru3 122.9(4) . . ?
C54 N8 Ru3 129.6(4) . . ?
O5 N9 O6 125.1(9) . . ?
O5 N9 C63 118.3(9) . . ?
O6 N9 C63 116.6(10) . . ?
N2 C1 C2 110.5(6) . . ?
N2 C1 H1 124.8 . . ?
C2 C1 H1 124.8 . . ?
C3 C2 C1 106.8(6) . . ?
C3 C2 H2 126.6 . . ?
C1 C2 H2 126.6 . . ?
C2 C3 C4 107.4(6) . . ?
C2 C3 H3 126.3 . . ?
C4 C3 H3 126.3 . . ?
N2 C4 C5 123.8(5) . . ?
N2 C4 C3 108.6(5) . . ?
C5 C4 C3 127.6(5) . . ?
C6 C5 C4 126.0(5) . . ?
C6 C5 C10 116.4(5) . . ?
C4 C5 C10 117.6(5) . . ?
C5 C6 N1 124.7(5) . . ?
C5 C6 C7 127.2(6) . . ?
N1 C6 C7 108.1(5) . . ?
C8 C7 C6 106.3(6) . . ?
C8 C7 H7 126.8 . . ?
C6 C7 H7 126.8 . . ?
C7 C8 C9 107.4(6) . . ?
C7 C8 H8 126.3 . . ?
C9 C8 H8 126.3 . . ?
N1 C9 C8 111.2(6) . . ?
N1 C9 H9 124.4 . . ?
C8 C9 H9 124.4 . . ?
C15 C10 C11 118.5(6) . . ?
C15 C10 C5 121.8(5) . . ?
C11 C10 C5 119.7(5) . . ?
C12 C11 C10 121.3(7) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C11 C12 C13 119.3(7) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 120.8(6) . . ?
C14 C13 N3 119.5(8) . . ?
C12 C13 N3 119.7(7) . . ?
C13 C14 C15 120.1(7) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C10 119.9(7) . . ?
C14 C15 H15 120.0 . . ?
C10 C15 H15 120.0 . . ?
C21 C16 C17 114.6(6) . . ?
C21 C16 C22 122.0(6) . . ?
C17 C16 C22 123.4(6) . . ?
C21 C16 Ru1 69.5(3) . . ?
C17 C16 Ru1 68.8(3) . . ?
C22 C16 Ru1 132.5(5) . . ?
C18 C17 C16 123.5(6) . . ?
C18 C17 Ru1 73.5(4) . . ?
C16 C17 Ru1 73.0(3) . . ?
C18 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
Ru1 C17 H17 127.5 . . ?
C17 C18 C19 120.0(6) . . ?
C17 C18 Ru1 69.0(3) . . ?
C19 C18 Ru1 73.1(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
Ru1 C18 H18 130.5 . . ?
C20 C19 C18 118.2(6) . . ?
C20 C19 C25 121.4(6) . . ?
C18 C19 C25 120.4(6) . . ?
C20 C19 Ru1 70.7(3) . . ?
C18 C19 Ru1 69.7(3) . . ?
C25 C19 Ru1 130.8(4) . . ?
C21 C20 C19 119.6(6) . . ?
C21 C20 Ru1 68.8(3) . . ?
C19 C20 Ru1 72.3(3) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
Ru1 C20 H20 131.4 . . ?
C20 C21 C16 123.9(6) . . ?
C20 C21 Ru1 73.8(3) . . ?
C16 C21 Ru1 72.7(3) . . ?
C20 C21 H21 118.1 . . ?
C16 C21 H21 118.1 . . ?
Ru1 C21 H21 127.7 . . ?
C24 C22 C16 114.9(7) . . ?
C24 C22 C23 104.7(10) . . ?
C16 C22 C23 114.2(7) . . ?
C24 C22 H22 107.6 . . ?
C16 C22 H22 107.6 . . ?
C23 C22 H22 107.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N5 C26 C27 111.3(6) . . ?
N5 C26 H26 124.4 . . ?
C27 C26 H26 124.4 . . ?
C28 C27 C26 107.3(6) . . ?
C28 C27 H27 126.3 . . ?
C26 C27 H27 126.3 . . ?
C27 C28 C29 107.1(5) . . ?
C27 C28 H28 126.5 . . ?
C29 C28 H28 126.5 . . ?
C30 C29 N5 124.1(5) . . ?
C30 C29 C28 127.7(5) . . ?
N5 C29 C28 108.1(5) . . ?
C29 C30 C31 125.8(5) . . ?
C29 C30 C35 115.4(5) . . ?
C31 C30 C35 118.7(5) . . ?
N4 C31 C30 124.0(5) . . ?
N4 C31 C32 108.0(5) . . ?
C30 C31 C32 127.5(5) . . ?
C33 C32 C31 107.3(6) . . ?
C33 C32 H32 126.3 . . ?
C31 C32 H32 126.3 . . ?
C32 C33 C34 106.7(6) . . ?
C32 C33 H33 126.6 . . ?
C34 C33 H33 126.6 . . ?
N4 C34 C33 111.1(6) . . ?
N4 C34 H34 124.4 . . ?
C33 C34 H34 124.4 . . ?
C36 C35 C40 118.4(6) . . ?
C36 C35 C30 121.0(5) . . ?
C40 C35 C30 120.7(5) . . ?
C35 C36 C37 121.1(6) . . ?
C35 C36 H36 119.4 . . ?
C37 C36 H36 119.4 . . ?
C38 C37 C36 119.1(6) . . ?
C38 C37 H37 120.5 . . ?
C36 C37 H37 120.5 . . ?
C37 C38 C39 121.7(6) . . ?
C37 C38 N6 118.8(7) . . ?
C39 C38 N6 119.6(7) . . ?
C38 C39 C40 119.1(7) . . ?
C38 C39 H39 120.5 . . ?
C40 C39 H39 120.5 . . ?
C35 C40 C39 120.5(7) . . ?
C35 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C46 C41 C42 115.6(7) . . ?
C46 C41 C47 122.1(11) . . ?
C42 C41 C47 122.3(11) . . ?
C46 C41 Ru2 69.5(5) . . ?
C42 C41 Ru2 70.1(4) . . ?
C47 C41 Ru2 131.7(6) . . ?
C41 C42 C43 121.4(7) . . ?
C41 C42 Ru2 71.8(4) . . ?
C43 C42 Ru2 72.9(4) . . ?
C41 C42 H42 119.3 . . ?
C43 C42 H42 119.3 . . ?
Ru2 C42 H42 128.2 . . ?
C44 C43 C42 118.2(7) . . ?
C44 C43 Ru2 72.0(4) . . ?
C42 C43 Ru2 69.1(4) . . ?
C44 C43 H43 120.9 . . ?
C42 C43 H43 120.9 . . ?
Ru2 C43 H43 130.4 . . ?
C45 C44 C43 119.4(7) . . ?
C45 C44 C50 121.2(8) . . ?
C43 C44 C50 119.4(8) . . ?
C45 C44 Ru2 70.7(4) . . ?
C43 C44 Ru2 70.9(3) . . ?
C50 C44 Ru2 129.2(5) . . ?
C46 C45 C44 120.8(8) . . ?
C46 C45 Ru2 69.7(4) . . ?
C44 C45 Ru2 73.0(4) . . ?
C46 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
Ru2 C45 H45 130.3 . . ?
C45 C46 C41 124.6(8) . . ?
C45 C46 Ru2 74.4(5) . . ?
C41 C46 Ru2 73.1(5) . . ?
C45 C46 H46 117.7 . . ?
C41 C46 H46 117.7 . . ?
Ru2 C46 H46 126.9 . . ?
C48 C47 C49 113.9(14) . . ?
C48 C47 C41 121.4(15) . . ?
C49 C47 C41 108.8(10) . . ?
C48 C47 H47 103.5 . . ?
C49 C47 H47 103.5 . . ?
C41 C47 H47 103.5 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C44 C50 H50A 109.5 . . ?
C44 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C44 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N8 C51 C52 111.5(6) . . ?
N8 C51 H51 124.3 . . ?
C52 C51 H51 124.3 . . ?
C51 C52 C53 105.8(6) . . ?
C51 C52 H52 127.1 . . ?
C53 C52 H52 127.1 . . ?
C52 C53 C54 107.6(6) . . ?
C52 C53 H53 126.2 . . ?
C54 C53 H53 126.2 . . ?
N8 C54 C55 123.7(5) . . ?
N8 C54 C53 108.3(6) . . ?
C55 C54 C53 128.0(6) . . ?
C56 C55 C54 126.3(6) . . ?
C56 C55 C60 117.3(6) . . ?
C54 C55 C60 116.4(5) . . ?
C55 C56 N7 123.9(5) . . ?
C55 C56 C57 127.7(6) . . ?
N7 C56 C57 108.3(5) . . ?
C58 C57 C56 106.9(6) . . ?
C58 C57 H57 126.6 . . ?
C56 C57 H57 126.6 . . ?
C57 C58 C59 107.8(6) . . ?
C57 C58 H58 126.1 . . ?
C59 C58 H58 126.1 . . ?
N7 C59 C58 110.7(6) . . ?
N7 C59 H59 124.6 . . ?
C58 C59 H59 124.6 . . ?
C61 C60 C65 119.0(6) . . ?
C61 C60 C55 121.1(6) . . ?
C65 C60 C55 119.9(6) . . ?
C62 C61 C60 121.3(7) . . ?
C62 C61 H61 119.3 . . ?
C60 C61 H61 119.3 . . ?
C61 C62 C63 118.6(7) . . ?
C61 C62 H62 120.7 . . ?
C63 C62 H62 120.7 . . ?
C62 C63 C64 122.2(7) . . ?
C62 C63 N9 119.7(8) . . ?
C64 C63 N9 118.1(8) . . ?
C65 C64 C63 117.6(7) . . ?
C65 C64 H64 121.2 . . ?
C63 C64 H64 121.2 . . ?
C64 C65 C60 121.1(7) . . ?
C64 C65 H65 119.4 . . ?
C60 C65 H65 119.4 . . ?
C71 C66 C67 115.1(9) . . ?
C71 C66 C72 117.5(12) . . ?
C67 C66 C72 127.4(12) . . ?
C71 C66 Ru3 70.6(4) . . ?
C67 C66 Ru3 69.4(5) . . ?
C72 C66 Ru3 128.4(8) . . ?
C68 C67 C66 120.8(8) . . ?
C68 C67 Ru3 72.8(5) . . ?
C66 C67 Ru3 71.8(5) . . ?
C68 C67 H67 119.6 . . ?
C66 C67 H67 119.6 . . ?
Ru3 C67 H67 128.0 . . ?
C69 C68 C67 122.0(9) . . ?
C69 C68 Ru3 73.7(4) . . ?
C67 C68 Ru3 69.5(5) . . ?
C69 C68 H68 119.0 . . ?
C67 C68 H68 119.0 . . ?
Ru3 C68 H68 130.6 . . ?
C68 C69 C70 118.0(9) . . ?
C68 C69 C75 121.2(9) . . ?
C70 C69 C75 120.7(9) . . ?
C68 C69 Ru3 69.9(5) . . ?
C70 C69 Ru3 70.5(4) . . ?
C75 C69 Ru3 127.8(6) . . ?
C71 C70 C69 120.9(7) . . ?
C71 C70 Ru3 70.0(4) . . ?
C69 C70 Ru3 73.1(4) . . ?
C71 C70 H70 119.5 . . ?
C69 C70 H70 119.5 . . ?
Ru3 C70 H70 129.9 . . ?
C70 C71 C66 123.2(8) . . ?
C70 C71 Ru3 72.9(4) . . ?
C66 C71 Ru3 71.7(5) . . ?
C70 C71 H71 118.4 . . ?
C66 C71 H71 118.4 . . ?
Ru3 C71 H71 129.7 . . ?
C73 C72 C74 119.9(13) . . ?
C73 C72 C66 120.0(14) . . ?
C74 C72 C66 117.9(12) . . ?
C73 C72 H72 94.9 . . ?
C74 C72 H72 94.9 . . ?
C66 C72 H72 94.9 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C69 C75 H75A 109.5 . . ?
C69 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C69 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 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 N2 2.071(4) . ?
Ru1 N1 2.077(4) . ?
Ru1 C17 2.145(6) . ?
Ru1 C21 2.160(5) . ?
Ru1 C16 2.201(6) . ?
Ru1 C18 2.202(6) . ?
Ru1 C20 2.225(6) . ?
Ru1 C19 2.247(6) . ?
Ru1 Cl1 2.3980(16) . ?
Ru2 N5 2.065(5) . ?
Ru2 N4 2.078(5) . ?
Ru2 C46 2.127(8) . ?
Ru2 C42 2.151(6) . ?
Ru2 C41 2.173(7) . ?
Ru2 C45 2.184(7) . ?
Ru2 C43 2.200(6) . ?
Ru2 C44 2.214(6) . ?
Ru2 Cl2 2.3955(18) . ?
Ru3 N8 2.064(5) . ?
Ru3 N7 2.074(5) . ?
Ru3 C67 2.143(8) . ?
Ru3 C71 2.161(7) . ?
Ru3 C66 2.175(8) . ?
Ru3 C68 2.184(7) . ?
Ru3 C70 2.198(6) . ?
Ru3 C69 2.233(7) . ?
Ru3 Cl3 2.4018(19) . ?
N1 C9 1.318(7) . ?
N1 C6 1.390(7) . ?
N2 C1 1.336(7) . ?
N2 C4 1.381(7) . ?
N3 O1 1.180(10) . ?
N3 O2 1.220(10) . ?
N3 C13 1.474(9) . ?
N4 C34 1.335(8) . ?
N4 C31 1.387(7) . ?
N5 C26 1.327(7) . ?
N5 C29 1.405(7) . ?
N6 O3 1.158(9) . ?
N6 O4 1.219(9) . ?
N6 C38 1.452(9) . ?
N7 C59 1.336(7) . ?
N7 C56 1.401(7) . ?
N8 C51 1.350(8) . ?
N8 C54 1.381(8) . ?
N9 O5 1.203(11) . ?
N9 O6 1.221(11) . ?
N9 C63 1.469(10) . ?
C1 C2 1.409(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.348(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.412(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(8) . ?
C5 C6 1.381(8) . ?
C5 C10 1.501(8) . ?
C6 C7 1.427(8) . ?
C7 C8 1.358(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.396(9) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C15 1.375(8) . ?
C10 C11 1.384(9) . ?
C11 C12 1.345(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.370(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.351(10) . ?
C14 C15 1.372(9) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C21 1.413(9) . ?
C16 C17 1.423(9) . ?
C16 C22 1.497(10) . ?
C17 C18 1.398(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.423(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.419(8) . ?
C19 C25 1.479(9) . ?
C20 C21 1.406(9) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C24 1.471(13) . ?
C22 C23 1.518(12) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.393(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.356(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.410(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.388(8) . ?
C30 C31 1.391(8) . ?
C30 C35 1.486(8) . ?
C31 C32 1.418(8) . ?
C32 C33 1.362(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.395(9) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.378(8) . ?
C35 C40 1.378(9) . ?
C36 C37 1.379(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.346(10) . ?
C37 H37 0.9300 . ?
C38 C39 1.368(10) . ?
C39 C40 1.382(10) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C46 1.379(12) . ?
C41 C42 1.409(12) . ?
C41 C47 1.500(14) . ?
C42 C43 1.417(11) . ?
C42 H42 0.9300 . ?
C43 C44 1.406(10) . ?
C43 H43 0.9300 . ?
C44 C45 1.370(10) . ?
C44 C50 1.506(11) . ?
C45 C46 1.331(12) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 C48 1.251(17) . ?
C47 C49 1.469(15) . ?
C47 H47 0.9800 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.384(10) . ?
C51 H51 0.9300 . ?
C52 C53 1.393(10) . ?
C52 H52 0.9300 . ?
C53 C54 1.406(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.396(8) . ?
C55 C56 1.376(8) . ?
C55 C60 1.510(9) . ?
C56 C57 1.426(8) . ?
C57 C58 1.348(9) . ?
C57 H57 0.9300 . ?
C58 C59 1.406(9) . ?
C58 H58 0.9300 . ?
C59 H59 0.9300 . ?
C60 C61 1.363(9) . ?
C60 C65 1.384(9) . ?
C61 C62 1.358(10) . ?
C61 H61 0.9300 . ?
C62 C63 1.368(11) . ?
C62 H62 0.9300 . ?
C63 C64 1.381(11) . ?
C64 C65 1.365(10) . ?
C64 H64 0.9300 . ?
C65 H65 0.9300 . ?
C66 C71 1.403(11) . ?
C66 C67 1.435(15) . ?
C66 C72 1.506(17) . ?
C67 C68 1.398(14) . ?
C67 H67 0.9300 . ?
C68 C69 1.383(13) . ?
C68 H68 0.9300 . ?
C69 C70 1.385(10) . ?
C69 C75 1.487(12) . ?
C70 C71 1.387(10) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C72 C73 1.380(18) . ?
C72 C74 1.46(2) . ?
C72 H72 0.9800 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
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
N2 Ru1 N1 C9 -175.1(5) . . . . ?
C17 Ru1 N1 C9 102.5(5) . . . . ?
C21 Ru1 N1 C9 48.8(5) . . . . ?
C16 Ru1 N1 C9 84.3(5) . . . . ?
C18 Ru1 N1 C9 43.2(12) . . . . ?
C20 Ru1 N1 C9 13.9(5) . . . . ?
C19 Ru1 N1 C9 -6.1(6) . . . . ?
Cl1 Ru1 N1 C9 -88.9(5) . . . . ?
N2 Ru1 N1 C6 13.3(4) . . . . ?
C17 Ru1 N1 C6 -69.1(6) . . . . ?
C21 Ru1 N1 C6 -122.8(5) . . . . ?
C16 Ru1 N1 C6 -87.3(5) . . . . ?
C18 Ru1 N1 C6 -128.5(10) . . . . ?
C20 Ru1 N1 C6 -157.7(5) . . . . ?
C19 Ru1 N1 C6 -177.7(4) . . . . ?
Cl1 Ru1 N1 C6 99.5(4) . . . . ?
N1 Ru1 N2 C1 176.0(5) . . . . ?
C17 Ru1 N2 C1 -45.8(5) . . . . ?
C21 Ru1 N2 C1 -99.9(5) . . . . ?
C16 Ru1 N2 C1 -81.9(5) . . . . ?
C18 Ru1 N2 C1 -11.3(5) . . . . ?
C20 Ru1 N2 C1 -48.7(11) . . . . ?
C19 Ru1 N2 C1 7.4(6) . . . . ?
Cl1 Ru1 N2 C1 88.7(4) . . . . ?
N1 Ru1 N2 C4 -14.9(5) . . . . ?
C17 Ru1 N2 C4 123.2(5) . . . . ?
C21 Ru1 N2 C4 69.1(6) . . . . ?
C16 Ru1 N2 C4 87.1(5) . . . . ?
C18 Ru1 N2 C4 157.7(5) . . . . ?
C20 Ru1 N2 C4 120.3(9) . . . . ?
C19 Ru1 N2 C4 176.4(4) . . . . ?
Cl1 Ru1 N2 C4 -102.3(5) . . . . ?
N5 Ru2 N4 C34 -168.4(5) . . . . ?
C46 Ru2 N4 C34 52.9(6) . . . . ?
C42 Ru2 N4 C34 107.7(6) . . . . ?
C41 Ru2 N4 C34 88.5(6) . . . . ?
C45 Ru2 N4 C34 20.1(6) . . . . ?
C43 Ru2 N4 C34 58.5(12) . . . . ?
C44 Ru2 N4 C34 2.5(7) . . . . ?
Cl2 Ru2 N4 C34 -80.8(5) . . . . ?
N5 Ru2 N4 C31 21.3(5) . . . . ?
C46 Ru2 N4 C31 -117.4(6) . . . . ?
C42 Ru2 N4 C31 -62.7(6) . . . . ?
C41 Ru2 N4 C31 -81.8(5) . . . . ?
C45 Ru2 N4 C31 -150.2(5) . . . . ?
C43 Ru2 N4 C31 -111.8(11) . . . . ?
C44 Ru2 N4 C31 -167.9(5) . . . . ?
Cl2 Ru2 N4 C31 108.9(5) . . . . ?
N4 Ru2 N5 C26 171.4(5) . . . . ?
C46 Ru2 N5 C26 -106.1(6) . . . . ?
C42 Ru2 N5 C26 -53.8(6) . . . . ?
C41 Ru2 N5 C26 -89.1(6) . . . . ?
C45 Ru2 N5 C26 -50.2(14) . . . . ?
C43 Ru2 N5 C26 -18.3(6) . . . . ?
C44 Ru2 N5 C26 0.5(7) . . . . ?
Cl2 Ru2 N5 C26 84.8(5) . . . . ?
N4 Ru2 N5 C29 -19.7(5) . . . . ?
C46 Ru2 N5 C29 62.8(6) . . . . ?
C42 Ru2 N5 C29 115.1(5) . . . . ?
C41 Ru2 N5 C29 79.8(5) . . . . ?
C45 Ru2 N5 C29 118.7(12) . . . . ?
C43 Ru2 N5 C29 150.6(5) . . . . ?
C44 Ru2 N5 C29 169.4(4) . . . . ?
Cl2 Ru2 N5 C29 -106.2(4) . . . . ?
N8 Ru3 N7 C59 -173.3(5) . . . . ?
C67 Ru3 N7 C59 102.8(6) . . . . ?
C71 Ru3 N7 C59 46.3(5) . . . . ?
C66 Ru3 N7 C59 82.7(5) . . . . ?
C68 Ru3 N7 C59 57.2(17) . . . . ?
C70 Ru3 N7 C59 12.8(6) . . . . ?
C69 Ru3 N7 C59 -4.5(7) . . . . ?
Cl3 Ru3 N7 C59 -87.8(5) . . . . ?
N8 Ru3 N7 C56 15.4(5) . . . . ?
C67 Ru3 N7 C56 -68.5(6) . . . . ?
C71 Ru3 N7 C56 -125.0(5) . . . . ?
C66 Ru3 N7 C56 -88.6(5) . . . . ?
C68 Ru3 N7 C56 -114.0(16) . . . . ?
C70 Ru3 N7 C56 -158.5(5) . . . . ?
C69 Ru3 N7 C56 -175.8(5) . . . . ?
Cl3 Ru3 N7 C56 100.9(5) . . . . ?
N7 Ru3 N8 C51 175.3(6) . . . . ?
C67 Ru3 N8 C51 -50.4(7) . . . . ?
C71 Ru3 N8 C51 -102.0(6) . . . . ?
C66 Ru3 N8 C51 -86.2(6) . . . . ?
C68 Ru3 N8 C51 -15.1(7) . . . . ?
C70 Ru3 N8 C51 -33.1(14) . . . . ?
C69 Ru3 N8 C51 5.6(7) . . . . ?
Cl3 Ru3 N8 C51 87.2(5) . . . . ?
N7 Ru3 N8 C54 -14.6(5) . . . . ?
C67 Ru3 N8 C54 119.8(7) . . . . ?
C71 Ru3 N8 C54 68.1(7) . . . . ?
C66 Ru3 N8 C54 84.0(6) . . . . ?
C68 Ru3 N8 C54 155.0(6) . . . . ?
C70 Ru3 N8 C54 137.0(11) . . . . ?
C69 Ru3 N8 C54 175.8(5) . . . . ?
Cl3 Ru3 N8 C54 -102.7(5) . . . . ?
C4 N2 C1 C2 0.4(7) . . . . ?
Ru1 N2 C1 C2 171.6(4) . . . . ?
N2 C1 C2 C3 -0.7(8) . . . . ?
C1 C2 C3 C4 0.7(8) . . . . ?
C1 N2 C4 C5 -178.3(5) . . . . ?
Ru1 N2 C4 C5 11.3(8) . . . . ?
C1 N2 C4 C3 0.0(6) . . . . ?
Ru1 N2 C4 C3 -170.4(4) . . . . ?
C2 C3 C4 N2 -0.5(7) . . . . ?
C2 C3 C4 C5 177.7(6) . . . . ?
N2 C4 C5 C6 0.7(9) . . . . ?
C3 C4 C5 C6 -177.3(6) . . . . ?
N2 C4 C5 C10 -175.9(5) . . . . ?
C3 C4 C5 C10 6.1(9) . . . . ?
C4 C5 C6 N1 -2.1(9) . . . . ?
C10 C5 C6 N1 174.5(5) . . . . ?
C4 C5 C6 C7 179.0(6) . . . . ?
C10 C5 C6 C7 -4.4(8) . . . . ?
C9 N1 C6 C5 179.0(5) . . . . ?
Ru1 N1 C6 C5 -8.2(8) . . . . ?
C9 N1 C6 C7 -1.9(6) . . . . ?
Ru1 N1 C6 C7 170.8(4) . . . . ?
C5 C6 C7 C8 -179.0(6) . . . . ?
N1 C6 C7 C8 1.9(7) . . . . ?
C6 C7 C8 C9 -1.2(8) . . . . ?
C6 N1 C9 C8 1.2(7) . . . . ?
Ru1 N1 C9 C8 -172.0(5) . . . . ?
C7 C8 C9 N1 0.0(8) . . . . ?
C6 C5 C10 C15 71.3(8) . . . . ?
C4 C5 C10 C15 -111.8(7) . . . . ?
C6 C5 C10 C11 -106.7(7) . . . . ?
C4 C5 C10 C11 70.2(7) . . . . ?
C15 C10 C11 C12 -4.3(11) . . . . ?
C5 C10 C11 C12 173.8(7) . . . . ?
C10 C11 C12 C13 2.7(12) . . . . ?
C11 C12 C13 C14 0.0(13) . . . . ?
C11 C12 C13 N3 -178.7(8) . . . . ?
O1 N3 C13 C14 -5.3(15) . . . . ?
O2 N3 C13 C14 171.7(9) . . . . ?
O1 N3 C13 C12 173.5(10) . . . . ?
O2 N3 C13 C12 -9.6(13) . . . . ?
C12 C13 C14 C15 -1.0(13) . . . . ?
N3 C13 C14 C15 177.8(8) . . . . ?
C13 C14 C15 C10 -0.7(13) . . . . ?
C11 C10 C15 C14 3.2(11) . . . . ?
C5 C10 C15 C14 -174.7(7) . . . . ?
N2 Ru1 C16 C21 -159.4(4) . . . . ?
N1 Ru1 C16 C21 -71.4(4) . . . . ?
C17 Ru1 C16 C21 128.5(6) . . . . ?
C18 Ru1 C16 C21 100.4(4) . . . . ?
C20 Ru1 C16 C21 27.9(4) . . . . ?
C19 Ru1 C16 C21 64.0(4) . . . . ?
Cl1 Ru1 C16 C21 73.6(11) . . . . ?
N2 Ru1 C16 C17 72.0(4) . . . . ?
N1 Ru1 C16 C17 160.1(4) . . . . ?
C21 Ru1 C16 C17 -128.5(6) . . . . ?
C18 Ru1 C16 C17 -28.1(4) . . . . ?
C20 Ru1 C16 C17 -100.7(4) . . . . ?
C19 Ru1 C16 C17 -64.6(4) . . . . ?
Cl1 Ru1 C16 C17 -55.0(11) . . . . ?
N2 Ru1 C16 C22 -44.4(7) . . . . ?
N1 Ru1 C16 C22 43.7(7) . . . . ?
C17 Ru1 C16 C22 -116.4(9) . . . . ?
C21 Ru1 C16 C22 115.1(9) . . . . ?
C18 Ru1 C16 C22 -144.5(8) . . . . ?
C20 Ru1 C16 C22 142.9(8) . . . . ?
C19 Ru1 C16 C22 179.0(7) . . . . ?
Cl1 Ru1 C16 C22 -171.4(6) . . . . ?
C21 C16 C17 C18 2.3(9) . . . . ?
C22 C16 C17 C18 -176.2(6) . . . . ?
Ru1 C16 C17 C18 56.0(5) . . . . ?
C21 C16 C17 Ru1 -53.7(5) . . . . ?
C22 C16 C17 Ru1 127.7(6) . . . . ?
N2 Ru1 C17 C18 115.1(4) . . . . ?
N1 Ru1 C17 C18 -163.4(3) . . . . ?
C21 Ru1 C17 C18 -102.6(4) . . . . ?
C16 Ru1 C17 C18 -133.9(6) . . . . ?
C20 Ru1 C17 C18 -65.5(4) . . . . ?
C19 Ru1 C17 C18 -28.9(4) . . . . ?
Cl1 Ru1 C17 C18 32.6(5) . . . . ?
N2 Ru1 C17 C16 -111.0(4) . . . . ?
N1 Ru1 C17 C16 -29.5(5) . . . . ?
C21 Ru1 C17 C16 31.3(4) . . . . ?
C18 Ru1 C17 C16 133.9(6) . . . . ?
C20 Ru1 C17 C16 68.3(4) . . . . ?
C19 Ru1 C17 C16 105.0(4) . . . . ?
Cl1 Ru1 C17 C16 166.5(3) . . . . ?
C16 C17 C18 C19 -1.4(9) . . . . ?
Ru1 C17 C18 C19 54.4(5) . . . . ?
C16 C17 C18 Ru1 -55.8(5) . . . . ?
N2 Ru1 C18 C17 -68.5(4) . . . . ?
N1 Ru1 C18 C17 72.2(11) . . . . ?
C21 Ru1 C18 C17 66.4(4) . . . . ?
C16 Ru1 C18 C17 28.6(4) . . . . ?
C20 Ru1 C18 C17 103.3(4) . . . . ?
C19 Ru1 C18 C17 132.6(6) . . . . ?
Cl1 Ru1 C18 C17 -156.8(4) . . . . ?
N2 Ru1 C18 C19 158.9(3) . . . . ?
N1 Ru1 C18 C19 -60.4(12) . . . . ?
C17 Ru1 C18 C19 -132.6(6) . . . . ?
C21 Ru1 C18 C19 -66.2(4) . . . . ?
C16 Ru1 C18 C19 -104.0(4) . . . . ?
C20 Ru1 C18 C19 -29.3(4) . . . . ?
Cl1 Ru1 C18 C19 70.6(4) . . . . ?
C17 C18 C19 C20 0.5(8) . . . . ?
Ru1 C18 C19 C20 53.1(5) . . . . ?
C17 C18 C19 C25 -178.8(6) . . . . ?
Ru1 C18 C19 C25 -126.2(6) . . . . ?
C17 C18 C19 Ru1 -52.6(5) . . . . ?
N2 Ru1 C19 C20 -162.7(3) . . . . ?
N1 Ru1 C19 C20 33.7(5) . . . . ?
C17 Ru1 C19 C20 -102.7(4) . . . . ?
C21 Ru1 C19 C20 -28.8(4) . . . . ?
C16 Ru1 C19 C20 -65.5(4) . . . . ?
C18 Ru1 C19 C20 -131.7(6) . . . . ?
Cl1 Ru1 C19 C20 116.5(4) . . . . ?
N2 Ru1 C19 C18 -31.0(5) . . . . ?
N1 Ru1 C19 C18 165.4(3) . . . . ?
C17 Ru1 C19 C18 29.0(4) . . . . ?
C21 Ru1 C19 C18 102.9(4) . . . . ?
C16 Ru1 C19 C18 66.2(4) . . . . ?
C20 Ru1 C19 C18 131.7(6) . . . . ?
Cl1 Ru1 C19 C18 -111.8(4) . . . . ?
N2 Ru1 C19 C25 82.1(6) . . . . ?
N1 Ru1 C19 C25 -81.5(6) . . . . ?
C17 Ru1 C19 C25 142.1(6) . . . . ?
C21 Ru1 C19 C25 -144.1(6) . . . . ?
C16 Ru1 C19 C25 179.3(6) . . . . ?
C18 Ru1 C19 C25 113.1(7) . . . . ?
C20 Ru1 C19 C25 -115.2(7) . . . . ?
Cl1 Ru1 C19 C25 1.2(6) . . . . ?
C18 C19 C20 C21 -0.8(8) . . . . ?
C25 C19 C20 C21 178.5(6) . . . . ?
Ru1 C19 C20 C21 51.8(5) . . . . ?
C18 C19 C20 Ru1 -52.6(5) . . . . ?
C25 C19 C20 Ru1 126.7(6) . . . . ?
N2 Ru1 C20 C21 -63.4(10) . . . . ?
N1 Ru1 C20 C21 70.4(4) . . . . ?
C17 Ru1 C20 C21 -66.4(4) . . . . ?
C16 Ru1 C20 C21 -28.2(4) . . . . ?
C18 Ru1 C20 C21 -103.4(4) . . . . ?
C19 Ru1 C20 C21 -132.9(6) . . . . ?
Cl1 Ru1 C20 C21 160.5(3) . . . . ?
N2 Ru1 C20 C19 69.4(10) . . . . ?
N1 Ru1 C20 C19 -156.7(4) . . . . ?
C17 Ru1 C20 C19 66.5(4) . . . . ?
C21 Ru1 C20 C19 132.9(6) . . . . ?
C16 Ru1 C20 C19 104.7(4) . . . . ?
C18 Ru1 C20 C19 29.5(4) . . . . ?
Cl1 Ru1 C20 C19 -66.6(4) . . . . ?
C19 C20 C21 C16 2.0(9) . . . . ?
Ru1 C20 C21 C16 55.4(5) . . . . ?
C19 C20 C21 Ru1 -53.5(5) . . . . ?
C17 C16 C21 C20 -2.6(9) . . . . ?
C22 C16 C21 C20 176.0(6) . . . . ?
Ru1 C16 C21 C20 -55.9(5) . . . . ?
C17 C16 C21 Ru1 53.3(5) . . . . ?
C22 C16 C21 Ru1 -128.1(6) . . . . ?
N2 Ru1 C21 C20 163.9(3) . . . . ?
N1 Ru1 C21 C20 -113.3(4) . . . . ?
C17 Ru1 C21 C20 102.7(4) . . . . ?
C16 Ru1 C21 C20 134.3(6) . . . . ?
C18 Ru1 C21 C20 65.5(4) . . . . ?
C19 Ru1 C21 C20 28.6(4) . . . . ?
Cl1 Ru1 C21 C20 -28.8(5) . . . . ?
N2 Ru1 C21 C16 29.6(5) . . . . ?
N1 Ru1 C21 C16 112.4(4) . . . . ?
C17 Ru1 C21 C16 -31.6(4) . . . . ?
C18 Ru1 C21 C16 -68.8(4) . . . . ?
C20 Ru1 C21 C16 -134.3(6) . . . . ?
C19 Ru1 C21 C16 -105.7(4) . . . . ?
Cl1 Ru1 C21 C16 -163.1(3) . . . . ?
C21 C16 C22 C24 24.0(11) . . . . ?
C17 C16 C22 C24 -157.6(8) . . . . ?
Ru1 C16 C22 C24 -66.7(11) . . . . ?
C21 C16 C22 C23 144.9(9) . . . . ?
C17 C16 C22 C23 -36.7(11) . . . . ?
Ru1 C16 C22 C23 54.2(12) . . . . ?
C29 N5 C26 C27 -0.3(7) . . . . ?
Ru2 N5 C26 C27 170.7(4) . . . . ?
N5 C26 C27 C28 0.2(8) . . . . ?
C26 C27 C28 C29 0.0(7) . . . . ?
C26 N5 C29 C30 -176.3(5) . . . . ?
Ru2 N5 C29 C30 13.2(8) . . . . ?
C26 N5 C29 C28 0.3(6) . . . . ?
Ru2 N5 C29 C28 -170.3(4) . . . . ?
C27 C28 C29 C30 176.2(6) . . . . ?
C27 C28 C29 N5 -0.1(7) . . . . ?
N5 C29 C30 C31 1.5(9) . . . . ?
C28 C29 C30 C31 -174.3(6) . . . . ?
N5 C29 C30 C35 177.3(5) . . . . ?
C28 C29 C30 C35 1.4(9) . . . . ?
C34 N4 C31 C30 172.1(6) . . . . ?
Ru2 N4 C31 C30 -16.3(8) . . . . ?
C34 N4 C31 C32 -0.1(6) . . . . ?
Ru2 N4 C31 C32 171.5(4) . . . . ?
C29 C30 C31 N4 0.1(9) . . . . ?
C35 C30 C31 N4 -175.5(5) . . . . ?
C29 C30 C31 C32 170.8(6) . . . . ?
C35 C30 C31 C32 -4.9(9) . . . . ?
N4 C31 C32 C33 0.2(7) . . . . ?
C30 C31 C32 C33 -171.6(6) . . . . ?
C31 C32 C33 C34 -0.2(7) . . . . ?
C31 N4 C34 C33 0.0(7) . . . . ?
Ru2 N4 C34 C33 -172.1(4) . . . . ?
C32 C33 C34 N4 0.1(8) . . . . ?
C29 C30 C35 C36 -82.9(7) . . . . ?
C31 C30 C35 C36 93.2(7) . . . . ?
C29 C30 C35 C40 95.9(8) . . . . ?
C31 C30 C35 C40 -88.0(8) . . . . ?
C40 C35 C36 C37 -4.5(11) . . . . ?
C30 C35 C36 C37 174.3(7) . . . . ?
C35 C36 C37 C38 2.5(12) . . . . ?
C36 C37 C38 C39 0.3(12) . . . . ?
C36 C37 C38 N6 -179.5(7) . . . . ?
O3 N6 C38 C37 14.3(14) . . . . ?
O4 N6 C38 C37 -169.3(8) . . . . ?
O3 N6 C38 C39 -165.5(10) . . . . ?
O4 N6 C38 C39 10.9(13) . . . . ?
C37 C38 C39 C40 -1.0(13) . . . . ?
N6 C38 C39 C40 178.8(8) . . . . ?
C36 C35 C40 C39 3.7(12) . . . . ?
C30 C35 C40 C39 -175.1(7) . . . . ?
C38 C39 C40 C35 -1.1(13) . . . . ?
N5 Ru2 C41 C46 -161.4(5) . . . . ?
N4 Ru2 C41 C46 -73.5(5) . . . . ?
C42 Ru2 C41 C46 128.8(7) . . . . ?
C45 Ru2 C41 C46 27.1(5) . . . . ?
C43 Ru2 C41 C46 99.5(5) . . . . ?
C44 Ru2 C41 C46 62.6(5) . . . . ?
Cl2 Ru2 C41 C46 47.7(16) . . . . ?
N5 Ru2 C41 C42 69.9(4) . . . . ?
N4 Ru2 C41 C42 157.7(4) . . . . ?
C46 Ru2 C41 C42 -128.8(7) . . . . ?
C45 Ru2 C41 C42 -101.6(5) . . . . ?
C43 Ru2 C41 C42 -29.2(4) . . . . ?
C44 Ru2 C41 C42 -66.1(5) . . . . ?
Cl2 Ru2 C41 C42 -81.1(15) . . . . ?
N5 Ru2 C41 C47 -46.1(13) . . . . ?
N4 Ru2 C41 C47 41.7(13) . . . . ?
C46 Ru2 C41 C47 115.2(15) . . . . ?
C42 Ru2 C41 C47 -116.0(15) . . . . ?
C45 Ru2 C41 C47 142.3(14) . . . . ?
C43 Ru2 C41 C47 -145.2(14) . . . . ?
C44 Ru2 C41 C47 177.8(14) . . . . ?
Cl2 Ru2 C41 C47 162.9(11) . . . . ?
C46 C41 C42 C43 1.7(10) . . . . ?
C47 C41 C42 C43 -176.8(7) . . . . ?
Ru2 C41 C42 C43 55.7(6) . . . . ?
C46 C41 C42 Ru2 -54.1(6) . . . . ?
C47 C41 C42 Ru2 127.4(8) . . . . ?
N5 Ru2 C42 C41 -114.1(5) . . . . ?
N4 Ru2 C42 C41 -31.6(6) . . . . ?
C46 Ru2 C42 C41 31.0(5) . . . . ?
C45 Ru2 C42 C41 66.7(5) . . . . ?
C43 Ru2 C42 C41 132.4(7) . . . . ?
C44 Ru2 C42 C41 102.8(5) . . . . ?
Cl2 Ru2 C42 C41 161.2(4) . . . . ?
N5 Ru2 C42 C43 113.5(4) . . . . ?
N4 Ru2 C42 C43 -164.0(4) . . . . ?
C46 Ru2 C42 C43 -101.4(5) . . . . ?
C41 Ru2 C42 C43 -132.4(7) . . . . ?
C45 Ru2 C42 C43 -65.8(5) . . . . ?
C44 Ru2 C42 C43 -29.6(4) . . . . ?
Cl2 Ru2 C42 C43 28.8(6) . . . . ?
C41 C42 C43 C44 -0.7(9) . . . . ?
Ru2 C42 C43 C44 54.5(5) . . . . ?
C41 C42 C43 Ru2 -55.3(6) . . . . ?
N5 Ru2 C43 C44 158.6(4) . . . . ?
N4 Ru2 C43 C44 -69.8(12) . . . . ?
C46 Ru2 C43 C44 -64.1(5) . . . . ?
C42 Ru2 C43 C44 -131.0(7) . . . . ?
C41 Ru2 C43 C44 -101.7(5) . . . . ?
C45 Ru2 C43 C44 -28.6(4) . . . . ?
Cl2 Ru2 C43 C44 68.2(4) . . . . ?
N5 Ru2 C43 C42 -70.5(5) . . . . ?
N4 Ru2 C43 C42 61.2(12) . . . . ?
C46 Ru2 C43 C42 66.9(5) . . . . ?
C41 Ru2 C43 C42 29.2(5) . . . . ?
C45 Ru2 C43 C42 102.4(5) . . . . ?
C44 Ru2 C43 C42 131.0(7) . . . . ?
Cl2 Ru2 C43 C42 -160.9(4) . . . . ?
C42 C43 C44 C45 0.2(9) . . . . ?
Ru2 C43 C44 C45 53.3(6) . . . . ?
C42 C43 C44 C50 -178.1(6) . . . . ?
Ru2 C43 C44 C50 -124.9(6) . . . . ?
C42 C43 C44 Ru2 -53.2(5) . . . . ?
N5 Ru2 C44 C45 -163.6(4) . . . . ?
N4 Ru2 C44 C45 29.8(6) . . . . ?
C46 Ru2 C44 C45 -28.1(5) . . . . ?
C42 Ru2 C44 C45 -102.0(5) . . . . ?
C41 Ru2 C44 C45 -64.4(5) . . . . ?
C43 Ru2 C44 C45 -132.2(7) . . . . ?
Cl2 Ru2 C44 C45 112.4(5) . . . . ?
N5 Ru2 C44 C43 -31.4(6) . . . . ?
N4 Ru2 C44 C43 162.0(4) . . . . ?
C46 Ru2 C44 C43 104.2(5) . . . . ?
C42 Ru2 C44 C43 30.2(5) . . . . ?
C41 Ru2 C44 C43 67.8(5) . . . . ?
C45 Ru2 C44 C43 132.2(7) . . . . ?
Cl2 Ru2 C44 C43 -115.4(4) . . . . ?
N5 Ru2 C44 C50 81.4(9) . . . . ?
N4 Ru2 C44 C50 -85.2(9) . . . . ?
C46 Ru2 C44 C50 -143.0(9) . . . . ?
C42 Ru2 C44 C50 143.0(9) . . . . ?
C41 Ru2 C44 C50 -179.4(9) . . . . ?
C45 Ru2 C44 C50 -115.0(10) . . . . ?
C43 Ru2 C44 C50 112.8(10) . . . . ?
Cl2 Ru2 C44 C50 -2.6(8) . . . . ?
C43 C44 C45 C46 -0.6(10) . . . . ?
C50 C44 C45 C46 177.6(7) . . . . ?
Ru2 C44 C45 C46 52.8(6) . . . . ?
C43 C44 C45 Ru2 -53.4(5) . . . . ?
C50 C44 C45 Ru2 124.8(7) . . . . ?
N5 Ru2 C45 C46 -69.8(14) . . . . ?
N4 Ru2 C45 C46 67.3(5) . . . . ?
C42 Ru2 C45 C46 -66.1(6) . . . . ?
C41 Ru2 C45 C46 -28.2(5) . . . . ?
C43 Ru2 C45 C46 -103.9(6) . . . . ?
C44 Ru2 C45 C46 -133.2(8) . . . . ?
Cl2 Ru2 C45 C46 156.3(5) . . . . ?
N5 Ru2 C45 C44 63.4(14) . . . . ?
N4 Ru2 C45 C44 -159.5(4) . . . . ?
C46 Ru2 C45 C44 133.2(8) . . . . ?
C42 Ru2 C45 C44 67.0(5) . . . . ?
C41 Ru2 C45 C44 105.0(5) . . . . ?
C43 Ru2 C45 C44 29.2(4) . . . . ?
Cl2 Ru2 C45 C44 -70.5(5) . . . . ?
C44 C45 C46 C41 1.7(12) . . . . ?
Ru2 C45 C46 C41 56.1(7) . . . . ?
C44 C45 C46 Ru2 -54.3(6) . . . . ?
C42 C41 C46 C45 -2.2(11) . . . . ?
C47 C41 C46 C45 176.3(8) . . . . ?
Ru2 C41 C46 C45 -56.6(7) . . . . ?
C42 C41 C46 Ru2 54.4(6) . . . . ?
C47 C41 C46 Ru2 -127.1(8) . . . . ?
N5 Ru2 C46 C45 162.3(4) . . . . ?
N4 Ru2 C46 C45 -116.3(5) . . . . ?
C42 Ru2 C46 C45 103.0(5) . . . . ?
C41 Ru2 C46 C45 134.4(8) . . . . ?
C43 Ru2 C46 C45 65.0(5) . . . . ?
C44 Ru2 C46 C45 28.3(5) . . . . ?
Cl2 Ru2 C46 C45 -32.8(6) . . . . ?
N5 Ru2 C46 C41 27.9(7) . . . . ?
N4 Ru2 C46 C41 109.3(5) . . . . ?
C42 Ru2 C46 C41 -31.5(5) . . . . ?
C45 Ru2 C46 C41 -134.4(8) . . . . ?
C43 Ru2 C46 C41 -69.4(5) . . . . ?
C44 Ru2 C46 C41 -106.1(5) . . . . ?
Cl2 Ru2 C46 C41 -167.3(4) . . . . ?
C46 C41 C47 C48 144.4(17) . . . . ?
C42 C41 C47 C48 -37(2) . . . . ?
Ru2 C41 C47 C48 54(2) . . . . ?
C46 C41 C47 C49 -80.5(16) . . . . ?
C42 C41 C47 C49 97.9(16) . . . . ?
Ru2 C41 C47 C49 -170.7(12) . . . . ?
C54 N8 C51 C52 0.1(8) . . . . ?
Ru3 N8 C51 C52 172.1(5) . . . . ?
N8 C51 C52 C53 -0.1(9) . . . . ?
C51 C52 C53 C54 0.1(8) . . . . ?
C51 N8 C54 C55 -179.4(6) . . . . ?
Ru3 N8 C54 C55 9.2(9) . . . . ?
C51 N8 C54 C53 0.0(7) . . . . ?
Ru3 N8 C54 C53 -171.4(5) . . . . ?
C52 C53 C54 N8 0.0(8) . . . . ?
C52 C53 C54 C55 179.3(6) . . . . ?
N8 C54 C55 C56 2.3(10) . . . . ?
C53 C54 C55 C56 -177.0(7) . . . . ?
N8 C54 C55 C60 -178.6(6) . . . . ?
C53 C54 C55 C60 2.1(10) . . . . ?
C54 C55 C56 N7 -1.1(10) . . . . ?
C60 C55 C56 N7 179.7(5) . . . . ?
C54 C55 C56 C57 174.0(6) . . . . ?
C60 C55 C56 C57 -5.1(10) . . . . ?
C59 N7 C56 C55 176.3(6) . . . . ?
Ru3 N7 C56 C55 -11.2(9) . . . . ?
C59 N7 C56 C57 0.3(7) . . . . ?
Ru3 N7 C56 C57 172.8(4) . . . . ?
C55 C56 C57 C58 -176.1(6) . . . . ?
N7 C56 C57 C58 -0.3(7) . . . . ?
C56 C57 C58 C59 0.2(8) . . . . ?
C56 N7 C59 C58 -0.2(7) . . . . ?
Ru3 N7 C59 C58 -173.1(4) . . . . ?
C57 C58 C59 N7 0.0(8) . . . . ?
C56 C55 C60 C61 -76.8(8) . . . . ?
C54 C55 C60 C61 104.0(8) . . . . ?
C56 C55 C60 C65 102.5(8) . . . . ?
C54 C55 C60 C65 -76.8(8) . . . . ?
C65 C60 C61 C62 4.3(11) . . . . ?
C55 C60 C61 C62 -176.4(7) . . . . ?
C60 C61 C62 C63 -1.3(12) . . . . ?
C61 C62 C63 C64 -0.9(12) . . . . ?
C61 C62 C63 N9 178.4(7) . . . . ?
O5 N9 C63 C62 177.7(10) . . . . ?
O6 N9 C63 C62 -0.7(12) . . . . ?
O5 N9 C63 C64 -2.9(13) . . . . ?
O6 N9 C63 C64 178.7(8) . . . . ?
C62 C63 C64 C65 0.0(12) . . . . ?
N9 C63 C64 C65 -179.3(7) . . . . ?
C63 C64 C65 C60 3.1(12) . . . . ?
C61 C60 C65 C64 -5.3(12) . . . . ?
C55 C60 C65 C64 175.5(7) . . . . ?
N8 Ru3 C66 C71 -163.3(5) . . . . ?
N7 Ru3 C66 C71 -75.4(5) . . . . ?
C67 Ru3 C66 C71 127.8(8) . . . . ?
C68 Ru3 C66 C71 98.5(6) . . . . ?
C70 Ru3 C66 C71 27.4(5) . . . . ?
C69 Ru3 C66 C71 62.9(5) . . . . ?
Cl3 Ru3 C66 C71 50.9(19) . . . . ?
N8 Ru3 C66 C67 68.9(6) . . . . ?
N7 Ru3 C66 C67 156.7(6) . . . . ?
C71 Ru3 C66 C67 -127.8(8) . . . . ?
C68 Ru3 C66 C67 -29.3(5) . . . . ?
C70 Ru3 C66 C67 -100.4(6) . . . . ?
C69 Ru3 C66 C67 -64.9(6) . . . . ?
Cl3 Ru3 C66 C67 -76.9(17) . . . . ?
N8 Ru3 C66 C72 -53.1(13) . . . . ?
N7 Ru3 C66 C72 34.7(13) . . . . ?
C67 Ru3 C66 C72 -122.0(15) . . . . ?
C71 Ru3 C66 C72 110.2(15) . . . . ?
C68 Ru3 C66 C72 -151.3(14) . . . . ?
C70 Ru3 C66 C72 137.6(14) . . . . ?
C69 Ru3 C66 C72 173.0(13) . . . . ?
Cl3 Ru3 C66 C72 161.1(14) . . . . ?
C71 C66 C67 C68 0.6(12) . . . . ?
C72 C66 C67 C68 179.2(10) . . . . ?
Ru3 C66 C67 C68 56.0(7) . . . . ?
C71 C66 C67 Ru3 -55.4(6) . . . . ?
C72 C66 C67 Ru3 123.2(11) . . . . ?
N8 Ru3 C67 C68 112.8(6) . . . . ?
N7 Ru3 C67 C68 -164.6(5) . . . . ?
C71 Ru3 C67 C68 -100.2(6) . . . . ?
C66 Ru3 C67 C68 -131.8(8) . . . . ?
C70 Ru3 C67 C68 -63.4(5) . . . . ?
C69 Ru3 C67 C68 -27.4(5) . . . . ?
Cl3 Ru3 C67 C68 31.2(7) . . . . ?
N8 Ru3 C67 C66 -115.4(6) . . . . ?
N7 Ru3 C67 C66 -32.8(7) . . . . ?
C71 Ru3 C67 C66 31.5(5) . . . . ?
C68 Ru3 C67 C66 131.8(8) . . . . ?
C70 Ru3 C67 C66 68.4(5) . . . . ?
C69 Ru3 C67 C66 104.4(6) . . . . ?
Cl3 Ru3 C67 C66 162.9(4) . . . . ?
C66 C67 C68 C69 -1.5(13) . . . . ?
Ru3 C67 C68 C69 54.0(7) . . . . ?
C66 C67 C68 Ru3 -55.6(7) . . . . ?
N8 Ru3 C68 C69 154.9(5) . . . . ?
N7 Ru3 C68 C69 -77.2(18) . . . . ?
C67 Ru3 C68 C69 -134.3(8) . . . . ?
C71 Ru3 C68 C69 -66.1(5) . . . . ?
C66 Ru3 C68 C69 -104.2(6) . . . . ?
C70 Ru3 C68 C69 -29.3(5) . . . . ?
Cl3 Ru3 C68 C69 66.8(5) . . . . ?
N8 Ru3 C68 C67 -70.8(6) . . . . ?
N7 Ru3 C68 C67 57.1(18) . . . . ?
C71 Ru3 C68 C67 68.3(6) . . . . ?
C66 Ru3 C68 C67 30.1(5) . . . . ?
C70 Ru3 C68 C67 105.0(6) . . . . ?
C69 Ru3 C68 C67 134.3(8) . . . . ?
Cl3 Ru3 C68 C67 -158.8(5) . . . . ?
C67 C68 C69 C70 1.0(11) . . . . ?
Ru3 C68 C69 C70 53.3(6) . . . . ?
C67 C68 C69 C75 -175.0(8) . . . . ?
Ru3 C68 C69 C75 -122.8(7) . . . . ?
C67 C68 C69 Ru3 -52.2(7) . . . . ?
N8 Ru3 C69 C68 -35.5(7) . . . . ?
N7 Ru3 C69 C68 160.3(5) . . . . ?
C67 Ru3 C69 C68 28.2(6) . . . . ?
C71 Ru3 C69 C68 102.6(6) . . . . ?
C66 Ru3 C69 C68 66.2(6) . . . . ?
C70 Ru3 C69 C68 131.3(8) . . . . ?
Cl3 Ru3 C69 C68 -116.3(6) . . . . ?
N8 Ru3 C69 C70 -166.8(4) . . . . ?
N7 Ru3 C69 C70 28.9(7) . . . . ?
C67 Ru3 C69 C70 -103.1(6) . . . . ?
C71 Ru3 C69 C70 -28.7(4) . . . . ?
C66 Ru3 C69 C70 -65.2(5) . . . . ?
C68 Ru3 C69 C70 -131.3(8) . . . . ?
Cl3 Ru3 C69 C70 112.4(5) . . . . ?
N8 Ru3 C69 C75 79.0(10) . . . . ?
N7 Ru3 C69 C75 -85.3(9) . . . . ?
C67 Ru3 C69 C75 142.7(10) . . . . ?
C71 Ru3 C69 C75 -143.0(9) . . . . ?
C66 Ru3 C69 C75 -179.4(10) . . . . ?
C68 Ru3 C69 C75 114.4(11) . . . . ?
C70 Ru3 C69 C75 -114.2(11) . . . . ?
Cl3 Ru3 C69 C75 -1.8(9) . . . . ?
C68 C69 C70 C71 0.2(10) . . . . ?
C75 C69 C70 C71 176.3(7) . . . . ?
Ru3 C69 C70 C71 53.2(5) . . . . ?
C68 C69 C70 Ru3 -53.0(6) . . . . ?
C75 C69 C70 Ru3 123.1(7) . . . . ?
N8 Ru3 C70 C71 -84.3(12) . . . . ?
N7 Ru3 C70 C71 66.2(4) . . . . ?
C67 Ru3 C70 C71 -66.7(6) . . . . ?
C66 Ru3 C70 C71 -27.9(5) . . . . ?
C68 Ru3 C70 C71 -103.7(6) . . . . ?
C69 Ru3 C70 C71 -133.0(7) . . . . ?
Cl3 Ru3 C70 C71 156.9(4) . . . . ?
N8 Ru3 C70 C69 48.7(14) . . . . ?
N7 Ru3 C70 C69 -160.7(5) . . . . ?
C67 Ru3 C70 C69 66.3(6) . . . . ?
C71 Ru3 C70 C69 133.0(7) . . . . ?
C66 Ru3 C70 C69 105.2(6) . . . . ?
C68 Ru3 C70 C69 29.4(6) . . . . ?
Cl3 Ru3 C70 C69 -70.1(5) . . . . ?
C69 C70 C71 C66 -1.1(10) . . . . ?
Ru3 C70 C71 C66 53.6(6) . . . . ?
C69 C70 C71 Ru3 -54.7(6) . . . . ?
C67 C66 C71 C70 0.6(11) . . . . ?
C72 C66 C71 C70 -178.1(9) . . . . ?
Ru3 C66 C71 C70 -54.1(6) . . . . ?
C67 C66 C71 Ru3 54.7(6) . . . . ?
C72 C66 C71 Ru3 -124.0(9) . . . . ?
N8 Ru3 C71 C70 160.4(4) . . . . ?
N7 Ru3 C71 C70 -118.0(4) . . . . ?
C67 Ru3 C71 C70 102.4(6) . . . . ?
C66 Ru3 C71 C70 134.8(7) . . . . ?
C68 Ru3 C71 C70 64.5(5) . . . . ?
C69 Ru3 C71 C70 28.2(4) . . . . ?
Cl3 Ru3 C71 C70 -32.4(5) . . . . ?
N8 Ru3 C71 C66 25.6(7) . . . . ?
N7 Ru3 C71 C66 107.2(6) . . . . ?
C67 Ru3 C71 C66 -32.4(6) . . . . ?
C68 Ru3 C71 C66 -70.3(6) . . . . ?
C70 Ru3 C71 C66 -134.8(7) . . . . ?
C69 Ru3 C71 C66 -106.6(6) . . . . ?
Cl3 Ru3 C71 C66 -167.2(5) . . . . ?
C71 C66 C72 C73 144.0(16) . . . . ?
C67 C66 C72 C73 -35(2) . . . . ?
Ru3 C66 C72 C73 58(2) . . . . ?
C71 C66 C72 C74 -53(2) . . . . ?
C67 C66 C72 C74 128.6(17) . . . . ?
Ru3 C66 C72 C74 -139.1(15) . . . . ?
