#------------------------------------------------------------------------------
#$Date: 2025-08-21 22:04:39 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301851 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/27/7052792.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_7052792
loop_
_publ_author_name
'Bond, Andrew D.'
'Sanders, Jeremy K. M.'
'Stulz, Eugen'
_publ_section_title
;
 Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence
 of substitution pattern on structure and electronic properties
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2691
_journal_paper_doi               10.1039/c1nj20598f
_journal_volume                  35
_journal_year                    2011
_chemical_formula_moiety         'C84 H58 N4 P2 Ru'
_chemical_formula_sum            'C84 H58 N4 P2 Ru'
_chemical_formula_weight         1286.35
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.249(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   23.5610(2)
_cell_length_b                   13.1750(1)
_cell_length_c                   61.8138(5)
_cell_measurement_reflns_used    72794
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.02
_cell_volume                     18938.5(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor, 1997)
;
_computing_publication_material  'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.857
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_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  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       73
_diffrn_reflns_limit_l_min       -73
_diffrn_reflns_number            37279
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.51
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.351
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav Blessing (1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7968
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1217
_refine_ls_number_reflns         14306
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0580P)²+20.8783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1205
_reflns_number_gt                10783
_reflns_number_total             14306
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1nj20598f.txt
_cod_data_source_block           P2-Ru4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7052792
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.037243(11) 0.19374(2) 0.161805(5) 0.02583(10) Uani 1 1 d . . .
P1 P -0.01508(4) 0.26495(7) 0.187573(17) 0.0272(2) Uani 1 1 d . . .
P2 P 0.09367(4) 0.12227(7) 0.137016(17) 0.0306(2) Uani 1 1 d . . .
N1 N 0.08677(10) 0.1184(2) 0.18710(5) 0.0268(7) Uani 1 1 d . . .
N2 N 0.09159(11) 0.3158(2) 0.16677(5) 0.0277(7) Uani 1 1 d . . .
N3 N -0.01365(11) 0.2711(2) 0.13696(5) 0.0270(7) Uani 1 1 d . . .
N4 N -0.01689(11) 0.0703(2) 0.15668(5) 0.0286(7) Uani 1 1 d . . .
C1 C 0.07596(13) 0.0234(3) 0.19499(6) 0.0265(8) Uani 1 1 d . . .
C2 C 0.12057(14) 0.0002(3) 0.21305(6) 0.0314(9) Uani 1 1 d . . .
H2A H 0.1229 -0.0594 0.2218 0.038 Uiso 1 1 calc R . .
C3 C 0.15829(14) 0.0772(3) 0.21545(6) 0.0309(9) Uani 1 1 d . . .
H3A H 0.1923 0.0813 0.2260 0.037 Uiso 1 1 calc R . .
C4 C 0.13795(13) 0.1525(3) 0.19911(6) 0.0273(9) Uani 1 1 d . . .
C5 C 0.16576(13) 0.2430(3) 0.19532(6) 0.0277(9) Uani 1 1 d . . .
C6 C 0.14383(14) 0.3189(3) 0.18054(6) 0.0301(9) Uani 1 1 d . . .
C7 C 0.16981(15) 0.4162(3) 0.17797(7) 0.0341(9) Uani 1 1 d . . .
H7A H 0.2064 0.4380 0.1852 0.041 Uiso 1 1 calc R . .
C8 C 0.13334(15) 0.4707(3) 0.16357(7) 0.0366(10) Uani 1 1 d . . .
H8A H 0.1389 0.5385 0.1591 0.044 Uiso 1 1 calc R . .
C9 C 0.08430(14) 0.4076(3) 0.15607(6) 0.0301(9) Uani 1 1 d . . .
C10 C 0.03899(14) 0.4335(3) 0.13950(6) 0.0285(9) Uani 1 1 d . . .
C11 C -0.00590(14) 0.3692(3) 0.13051(6) 0.0292(9) Uani 1 1 d . . .
C12 C -0.05304(14) 0.3956(3) 0.11338(6) 0.0338(9) Uani 1 1 d . . .
H12A H -0.0582 0.4588 0.1059 0.041 Uiso 1 1 calc R . .
C13 C -0.08804(15) 0.3152(3) 0.10994(6) 0.0349(10) Uani 1 1 d . . .
H13A H -0.1224 0.3109 0.0995 0.042 Uiso 1 1 calc R . .
C14 C -0.06428(14) 0.2361(3) 0.12486(6) 0.0306(9) Uani 1 1 d . . .
C15 C -0.08904(14) 0.1409(3) 0.12708(6) 0.0297(9) Uani 1 1 d . . .
C16 C -0.06642(14) 0.0635(3) 0.14120(6) 0.0314(9) Uani 1 1 d . . .
C17 C -0.09143(15) -0.0348(3) 0.14307(7) 0.0393(10) Uani 1 1 d . . .
H17A H -0.1258 -0.0595 0.1345 0.047 Uiso 1 1 calc R . .
C18 C -0.05772(15) -0.0859(3) 0.15909(7) 0.0371(10) Uani 1 1 d . . .
H18A H -0.0635 -0.1535 0.1636 0.044 Uiso 1 1 calc R . .
C19 C -0.01129(14) -0.0196(3) 0.16810(6) 0.0294(9) Uani 1 1 d . . .
C20 C 0.03107(14) -0.0413(3) 0.18610(6) 0.0301(9) Uani 1 1 d . . .
C21 C 0.22484(14) 0.2614(3) 0.20833(7) 0.0330(10) Uani 1 1 d . . .
C22 C 0.23339(15) 0.2754(3) 0.23068(7) 0.0386(10) Uani 1 1 d . . .
H22A H 0.2016 0.2718 0.2383 0.046 Uiso 1 1 calc R . .
C23 C 0.28843(17) 0.2948(3) 0.24226(8) 0.0477(12) Uani 1 1 d . . .
H23A H 0.2939 0.3042 0.2577 0.057 Uiso 1 1 calc R . .
C24 C 0.33478(17) 0.3001(3) 0.23110(9) 0.0542(13) Uani 1 1 d . . .
H24A H 0.3722 0.3137 0.2388 0.065 Uiso 1 1 calc R . .
C25 C 0.32664(16) 0.2857(3) 0.20886(9) 0.0520(13) Uani 1 1 d . . .
H25A H 0.3586 0.2886 0.2013 0.062 Uiso 1 1 calc R . .
C26 C 0.27215(15) 0.2668(3) 0.19732(7) 0.0407(10) Uani 1 1 d . . .
H26A H 0.2670 0.2576 0.1819 0.049 Uiso 1 1 calc R . .
C27 C 0.04380(14) 0.5369(3) 0.12969(7) 0.0327(9) Uani 1 1 d . . .
C28 C 0.03456(17) 0.6243(3) 0.14123(8) 0.0450(11) Uani 1 1 d . . .
H28A H 0.0203 0.6189 0.1547 0.054 Uiso 1 1 calc R . .
C29 C 0.04587(19) 0.7188(3) 0.13325(8) 0.0546(13) Uani 1 1 d . . .
H29A H 0.0389 0.7781 0.1412 0.066 Uiso 1 1 calc R . .
C30 C 0.06719(17) 0.7273(4) 0.11389(9) 0.0520(13) Uani 1 1 d . . .
H30A H 0.0759 0.7923 0.1086 0.062 Uiso 1 1 calc R . .
C31 C 0.07578(16) 0.6423(4) 0.10224(8) 0.0476(11) Uani 1 1 d . . .
H31A H 0.0903 0.6480 0.0888 0.057 Uiso 1 1 calc R . .
C32 C 0.06320(15) 0.5474(3) 0.11003(7) 0.0402(10) Uani 1 1 d . . .
H32A H 0.0681 0.4887 0.1016 0.048 Uiso 1 1 calc R . .
C33 C -0.14780(14) 0.1231(3) 0.11386(6) 0.0328(9) Uani 1 1 d . . .
C34 C -0.15588(17) 0.0748(4) 0.09401(8) 0.0688(16) Uani 1 1 d . . .
H34A H -0.1236 0.0504 0.0881 0.083 Uiso 1 1 calc R . .
C35 C -0.21089(18) 0.0610(5) 0.08237(9) 0.0811(19) Uani 1 1 d . . .
H35A H -0.2156 0.0280 0.0685 0.097 Uiso 1 1 calc R . .
C36 C -0.25787(16) 0.0937(3) 0.09040(8) 0.0464(11) Uani 1 1 d . . .
H36A H -0.2953 0.0840 0.0823 0.056 Uiso 1 1 calc R . .
C37 C -0.25080(17) 0.1398(4) 0.10996(8) 0.0601(14) Uani 1 1 d . . .
H37A H -0.2834 0.1635 0.1158 0.072 Uiso 1 1 calc R . .
C38 C -0.19566(16) 0.1532(4) 0.12186(8) 0.0610(14) Uani 1 1 d . . .
H38A H -0.1915 0.1842 0.1359 0.073 Uiso 1 1 calc R . .
C39 C 0.02900(14) -0.1429(3) 0.19687(6) 0.0331(9) Uani 1 1 d . . .
C40 C -0.01058(16) -0.1638(3) 0.21044(8) 0.0506(12) Uani 1 1 d . . .
H40A H -0.0372 -0.1129 0.2131 0.061 Uiso 1 1 calc R . .
C41 C -0.01200(19) -0.2580(4) 0.22031(9) 0.0625(15) Uani 1 1 d . . .
H41A H -0.0399 -0.2711 0.2295 0.075 Uiso 1 1 calc R . .
C42 C 0.02602(18) -0.3319(3) 0.21707(8) 0.0539(13) Uani 1 1 d . . .
H42A H 0.0250 -0.3961 0.2240 0.065 Uiso 1 1 calc R . .
C43 C 0.0661(2) -0.3124(3) 0.20368(8) 0.0571(13) Uani 1 1 d . . .
H43A H 0.0931 -0.3632 0.2014 0.069 Uiso 1 1 calc R . .
C44 C 0.06710(17) -0.2190(3) 0.19353(8) 0.0483(12) Uani 1 1 d . . .
H44A H 0.0945 -0.2069 0.1841 0.058 Uiso 1 1 calc R . .
C45 C -0.05718(14) 0.1829(3) 0.20308(7) 0.0315(9) Uani 1 1 d . . .
C46 C -0.09535(14) 0.1119(3) 0.19233(7) 0.0377(10) Uani 1 1 d . . .
H46A H -0.1002 0.1061 0.1768 0.045 Uiso 1 1 calc R . .
C47 C -0.12628(16) 0.0497(3) 0.20423(8) 0.0453(11) Uani 1 1 d . . .
H47A H -0.1517 0.0006 0.1968 0.054 Uiso 1 1 calc R . .
C48 C -0.12089(18) 0.0578(3) 0.22646(8) 0.0529(12) Uani 1 1 d . . .
H48A H -0.1429 0.0156 0.2344 0.064 Uiso 1 1 calc R . .
C49 C -0.0834(2) 0.1274(4) 0.23716(9) 0.0686(15) Uani 1 1 d . . .
H49A H -0.0792 0.1334 0.2527 0.082 Uiso 1 1 calc R . .
C50 C -0.05144(19) 0.1893(3) 0.22549(8) 0.0540(12) Uani 1 1 d . . .
H50A H -0.0252 0.2368 0.2331 0.065 Uiso 1 1 calc R . .
C51 C -0.06491(14) 0.3677(3) 0.17764(6) 0.0303(9) Uani 1 1 d . . .
C52 C -0.04777(16) 0.4684(3) 0.17897(7) 0.0450(11) Uani 1 1 d . . .
H52A H -0.0098 0.4850 0.1858 0.054 Uiso 1 1 calc R . .
C53 C -0.0853(2) 0.5456(4) 0.17050(8) 0.0599(13) Uani 1 1 d . . .
H53A H -0.0732 0.6145 0.1716 0.072 Uiso 1 1 calc R . .
C54 C -0.13996(18) 0.5206(4) 0.16050(8) 0.0580(14) Uani 1 1 d . . .
H54A H -0.1658 0.5727 0.1546 0.070 Uiso 1 1 calc R . .
C55 C -0.15748(17) 0.4216(4) 0.15900(7) 0.0531(13) Uani 1 1 d . . .
H55A H -0.1955 0.4053 0.1522 0.064 Uiso 1 1 calc R . .
C56 C -0.12034(15) 0.3455(3) 0.16724(7) 0.0410(10) Uani 1 1 d . . .
H56A H -0.1327 0.2768 0.1658 0.049 Uiso 1 1 calc R . .
C57 C 0.03046(15) 0.3276(3) 0.20882(7) 0.0333(9) Uani 1 1 d . . .
C58 C 0.06227(15) 0.3736(3) 0.22242(7) 0.0343(10) Uani 1 1 d . . .
C59 C 0.10044(14) 0.4313(3) 0.23842(7) 0.0343(10) Uani 1 1 d . . .
C60 C 0.09028(18) 0.4434(4) 0.25955(8) 0.0561(13) Uani 1 1 d . . .
H60A H 0.0571 0.4135 0.2638 0.067 Uiso 1 1 calc R . .
C61 C 0.12799(19) 0.4988(4) 0.27470(8) 0.0645(14) Uani 1 1 d . . .
H61A H 0.1207 0.5067 0.2893 0.077 Uiso 1 1 calc R . .
C62 C 0.17594(17) 0.5420(3) 0.26848(8) 0.0530(12) Uani 1 1 d . . .
H62A H 0.2020 0.5793 0.2788 0.064 Uiso 1 1 calc R . .
C63 C 0.18634(17) 0.5317(3) 0.24751(8) 0.0481(12) Uani 1 1 d . . .
H63A H 0.2194 0.5622 0.2433 0.058 Uiso 1 1 calc R . .
C64 C 0.14864(15) 0.4767(3) 0.23245(7) 0.0401(10) Uani 1 1 d . . .
H64A H 0.1559 0.4701 0.2178 0.048 Uiso 1 1 calc R . .
C65 C 0.05385(15) 0.0727(3) 0.11130(7) 0.0333(9) Uani 1 1 d . . .
C66 C 0.05016(18) 0.1213(3) 0.09146(8) 0.0499(12) Uani 1 1 d . . .
H66A H 0.0701 0.1833 0.0905 0.060 Uiso 1 1 calc R . .
C67 C 0.0174(2) 0.0802(4) 0.07286(8) 0.0645(14) Uani 1 1 d . . .
H67A H 0.0153 0.1149 0.0593 0.077 Uiso 1 1 calc R . .
C68 C -0.01188(18) -0.0090(4) 0.07364(8) 0.0568(13) Uani 1 1 d . . .
H68A H -0.0338 -0.0366 0.0607 0.068 Uiso 1 1 calc R . .
C69 C -0.00912(17) -0.0579(3) 0.09332(9) 0.0524(12) Uani 1 1 d . . .
H69A H -0.0292 -0.1200 0.0941 0.063 Uiso 1 1 calc R . .
C70 C 0.02320(16) -0.0167(3) 0.11218(8) 0.0445(11) Uani 1 1 d . . .
H70A H 0.0242 -0.0504 0.1258 0.053 Uiso 1 1 calc R . .
C71 C 0.15171(14) 0.2000(3) 0.12929(6) 0.0319(9) Uani 1 1 d . . .
C72 C 0.13866(16) 0.2954(3) 0.12045(7) 0.0367(10) Uani 1 1 d . . .
H72A H 0.0996 0.3165 0.1174 0.044 Uiso 1 1 calc R . .
C73 C 0.18121(16) 0.3604(3) 0.11601(7) 0.0436(11) Uani 1 1 d . . .
H73A H 0.1714 0.4260 0.1102 0.052 Uiso 1 1 calc R . .
C74 C 0.23786(16) 0.3305(4) 0.11997(7) 0.0489(12) Uani 1 1 d . . .
H74A H 0.2673 0.3754 0.1170 0.059 Uiso 1 1 calc R . .
C75 C 0.25155(17) 0.2353(4) 0.12819(8) 0.0583(14) Uani 1 1 d . . .
H75A H 0.2906 0.2139 0.1306 0.070 Uiso 1 1 calc R . .
C76 C 0.20909(16) 0.1698(3) 0.13300(7) 0.0486(12) Uani 1 1 d . . .
H76A H 0.2192 0.1044 0.1388 0.058 Uiso 1 1 calc R . .
C77 C 0.13158(15) 0.0133(3) 0.14781(7) 0.0366(10) Uani 1 1 d . . .
C78 C 0.15907(15) -0.0543(3) 0.15687(7) 0.0399(10) Uani 1 1 d . . .
C79 C 0.19414(15) -0.1337(3) 0.16850(7) 0.0399(10) Uani 1 1 d . . .
C80 C 0.22741(17) -0.1108(4) 0.18850(8) 0.0570(13) Uani 1 1 d . . .
H80A H 0.2278 -0.0436 0.1941 0.068 Uiso 1 1 calc R . .
C81 C 0.2601(2) -0.1856(5) 0.20037(9) 0.0732(16) Uani 1 1 d . . .
H81A H 0.2828 -0.1701 0.2141 0.088 Uiso 1 1 calc R . .
C82 C 0.2593(2) -0.2818(5) 0.19210(12) 0.0781(19) Uani 1 1 d . . .
H82A H 0.2808 -0.3336 0.2004 0.094 Uiso 1 1 calc R . .
C83 C 0.22785(19) -0.3055(4) 0.17190(11) 0.0717(17) Uani 1 1 d . . .
H83A H 0.2289 -0.3721 0.1661 0.086 Uiso 1 1 calc R . .
C84 C 0.19463(17) -0.2305(3) 0.16008(9) 0.0526(13) Uani 1 1 d . . .
H84A H 0.1724 -0.2460 0.1463 0.063 Uiso 1 1 calc R . .
Ru1A Ru 0.2500 0.2500 0.0000 0.02666(12) Uani 1 2 d S . .
P1A P 0.15500(4) 0.20245(8) -0.015198(17) 0.0304(2) Uani 1 1 d . . .
N1A N 0.27976(11) 0.2185(2) -0.02876(5) 0.0279(7) Uani 1 1 d . . .
N2A N 0.26863(11) 0.1042(2) 0.01011(5) 0.0268(7) Uani 1 1 d . . .
C1A C 0.28248(14) 0.2863(3) -0.04558(6) 0.0307(9) Uani 1 1 d . . .
C2A C 0.30422(14) 0.2344(3) -0.06304(7) 0.0352(10) Uani 1 1 d . . .
H2AA H 0.3102 0.2632 -0.0766 0.042 Uiso 1 1 calc R A .
C3A C 0.31445(14) 0.1378(3) -0.05670(6) 0.0327(9) Uani 1 1 d . A .
H3AA H 0.3288 0.0858 -0.0650 0.039 Uiso 1 1 calc R . .
C4A C 0.29990(13) 0.1268(3) -0.03509(6) 0.0282(9) Uani 1 1 d . A .
C5A C 0.30575(13) 0.0377(3) -0.02229(6) 0.0302(9) Uani 1 1 d . . .
C6A C 0.29126(13) 0.0283(3) -0.00136(6) 0.0302(9) Uani 1 1 d . A .
C7A C 0.29731(14) -0.0633(3) 0.01199(7) 0.0358(10) Uani 1 1 d . . .
H7AA H 0.3119 -0.1268 0.0081 0.043 Uiso 1 1 calc R A .
C8A C 0.27837(14) -0.0414(3) 0.03079(7) 0.0357(10) Uani 1 1 d . A .
H8AA H 0.2773 -0.0868 0.0427 0.043 Uiso 1 1 calc R . .
C9A C 0.25992(14) 0.0627(3) 0.02987(6) 0.0304(9) Uani 1 1 d . A .
C10A C 0.23558(14) 0.1128(3) 0.04606(6) 0.0324(9) Uani 1 1 d . . .
C11A C 0.33046(15) -0.0550(3) -0.03167(6) 0.0330(9) Uani 1 1 d . A .
C12A C 0.38559(15) -0.0535(3) -0.03696(6) 0.0350(10) Uani 1 1 d . . .
H12B H 0.4070 0.0079 -0.0353 0.042 Uiso 1 1 calc R A .
C13A C 0.41001(17) -0.1395(3) -0.04454(7) 0.0435(11) Uani 1 1 d . A .
H13B H 0.4479 -0.1367 -0.0480 0.052 Uiso 1 1 calc R . .
C14A C 0.3797(2) -0.2284(4) -0.04710(8) 0.0572(13) Uani 1 1 d . . .
H14A H 0.3964 -0.2873 -0.0523 0.069 Uiso 1 1 calc R A .
C15A C 0.3247(2) -0.2323(4) -0.04211(9) 0.0634(14) Uani 1 1 d . A .
H15A H 0.3034 -0.2938 -0.0440 0.076 Uiso 1 1 calc R . .
C16A C 0.30058(18) -0.1457(3) -0.03434(7) 0.0493(12) Uani 1 1 d . . .
H16A H 0.2629 -0.1491 -0.0308 0.059 Uiso 1 1 calc R A .
C17A C 0.22846(16) 0.0509(3) 0.06582(7) 0.0377(10) Uani 1 1 d . A .
C18A C 0.27582(18) 0.0227(3) 0.08105(7) 0.0506(12) Uani 1 1 d . . .
H18B H 0.3131 0.0450 0.0792 0.061 Uiso 1 1 calc R A .
C19A C 0.2695(2) -0.0370(4) 0.09880(8) 0.0659(15) Uani 1 1 d . A .
H19A H 0.3024 -0.0560 0.1090 0.079 Uiso 1 1 calc R . .
C20A C 0.2157(3) -0.0692(4) 0.10173(9) 0.0700(16) Uani 1 1 d . . .
H20A H 0.2115 -0.1105 0.1140 0.084 Uiso 1 1 calc R A .
C21A C 0.1683(2) -0.0422(4) 0.08710(9) 0.0608(14) Uani 1 1 d . A .
H21A H 0.1311 -0.0641 0.0892 0.073 Uiso 1 1 calc R . .
C22A C 0.17492(17) 0.0179(3) 0.06914(7) 0.0477(11) Uani 1 1 d . . .
H22B H 0.1419 0.0365 0.0590 0.057 Uiso 1 1 calc R A .
C23A C 0.12914(14) 0.2419(3) -0.04353(6) 0.0323(9) Uani 1 1 d . A .
C24A C 0.15607(16) 0.2061(3) -0.06029(7) 0.0443(11) Uani 1 1 d . . .
H24B H 0.1876 0.1608 -0.0570 0.053 Uiso 1 1 calc R A .
C25A C 0.13784(18) 0.2351(4) -0.08195(8) 0.0534(12) Uani 1 1 d . A .
H25B H 0.1563 0.2089 -0.0933 0.064 Uiso 1 1 calc R . .
C26A C 0.09277(18) 0.3022(3) -0.08674(8) 0.0518(12) Uani 1 1 d . . .
H26B H 0.0798 0.3220 -0.1015 0.062 Uiso 1 1 calc R A .
C27A C 0.06679(18) 0.3400(3) -0.07032(8) 0.0520(12) Uani 1 1 d . A .
H27A H 0.0362 0.3873 -0.0737 0.062 Uiso 1 1 calc R . .
C28A C 0.08419(16) 0.3108(3) -0.04888(7) 0.0431(11) Uani 1 1 d . . .
H28B H 0.0654 0.3378 -0.0377 0.052 Uiso 1 1 calc R A .
C29A C 0.13459(14) 0.0676(3) -0.01504(6) 0.0390(10) Uiso 0.50 1 d PD A 1
C30A C 0.1407(2) 0.0059(7) -0.03238(17) 0.051(2) Uiso 0.50 1 d PD A 1
H30B H 0.1545 0.0345 -0.0446 0.061 Uiso 0.50 1 calc PR A 1
C31A C 0.1276(3) -0.0952(8) -0.03270(18) 0.053(3) Uiso 0.50 1 d PD A 1
H31B H 0.1339 -0.1371 -0.0446 0.063 Uiso 0.50 1 calc PR A 1
C32A C 0.1042(2) -0.1358(5) -0.01465(9) 0.0890(18) Uiso 0.50 1 d PD A 1
H32B H 0.0903 -0.2036 -0.0150 0.107 Uiso 0.50 1 calc PR A 1
C33A C 0.1019(4) -0.0701(10) 0.0046(2) 0.091(4) Uiso 0.50 1 d PD A 1
H33A H 0.0907 -0.0971 0.0176 0.109 Uiso 0.50 1 calc PR A 1
C34A C 0.1168(3) 0.0349(8) 0.00346(18) 0.069(3) Uiso 0.50 1 d PD A 1
H34B H 0.1143 0.0800 0.0153 0.083 Uiso 0.50 1 calc PR A 1
C29' C 0.13459(14) 0.0676(3) -0.01504(6) 0.0390(10) Uiso 0.50 1 d PD A 2
C30' C 0.1587(3) -0.0067(6) -0.02420(11) 0.0342(19) Uiso 0.50 1 d PD A 2
H30' H 0.1902 0.0099 -0.0314 0.041 Uiso 0.50 1 calc PR A 2
C31' C 0.1421(3) -0.1083(7) -0.02430(13) 0.040(2) Uiso 0.50 1 d PD A 2
H31' H 0.1610 -0.1567 -0.0321 0.048 Uiso 0.50 1 calc PR A 2
C32' C 0.1042(2) -0.1358(5) -0.01465(9) 0.0890(18) Uiso 0.50 1 d PD A 2
H32' H 0.0981 -0.2068 -0.0136 0.107 Uiso 0.50 1 calc PR A 2
C33' C 0.0675(5) -0.0697(9) -0.00461(16) 0.080(3) Uiso 0.50 1 d PD A 2
H33' H 0.0351 -0.0938 0.0012 0.095 Uiso 0.50 1 calc PR A 2
C34' C 0.0837(4) 0.0357(8) -0.00401(14) 0.064(3) Uiso 0.50 1 d PD A 2
H34' H 0.0633 0.0844 0.0031 0.077 Uiso 0.50 1 calc PR A 2
C35A C 0.10358(14) 0.2574(3) -0.00085(7) 0.0333(9) Uani 1 1 d . A .
C36A C 0.06987(15) 0.2896(3) 0.00989(7) 0.0332(9) Uani 1 1 d . . .
C37A C 0.02916(14) 0.3288(3) 0.02286(7) 0.0309(9) Uani 1 1 d . A .
C38A C 0.03461(16) 0.3105(3) 0.04500(7) 0.0418(11) Uani 1 1 d . . .
H38B H 0.0659 0.2709 0.0521 0.050 Uiso 1 1 calc R A .
C39A C -0.00501(18) 0.3493(4) 0.05695(8) 0.0524(12) Uani 1 1 d . A .
H39A H -0.0011 0.3359 0.0722 0.063 Uiso 1 1 calc R . .
C40A C -0.05010(18) 0.4072(3) 0.04692(9) 0.0559(13) Uani 1 1 d . . .
H40B H -0.0775 0.4333 0.0552 0.067 Uiso 1 1 calc R A .
C41A C -0.05545(16) 0.4274(3) 0.02500(9) 0.0515(12) Uani 1 1 d . A .
H41B H -0.0862 0.4689 0.0182 0.062 Uiso 1 1 calc R . .
C42A C -0.01681(15) 0.3882(3) 0.01269(7) 0.0388(10) Uani 1 1 d . . .
H42B H -0.0213 0.4013 -0.0026 0.047 Uiso 1 1 calc R A .
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'
P P 0.1023 0.0942 '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
N2 Ru1 N1 90.02(11) . .
N2 Ru1 N4 179.50(12) . .
N1 Ru1 N4 89.85(11) . .
N2 Ru1 N3 89.92(11) . .
N1 Ru1 N3 178.55(11) . .
N4 Ru1 N3 90.22(11) . .
N2 Ru1 P1 88.20(8) . .
N1 Ru1 P1 88.44(8) . .
N4 Ru1 P1 92.29(8) . .
N3 Ru1 P1 90.11(8) . .
N2 Ru1 P2 90.38(8) . .
N1 Ru1 P2 89.49(8) . .
N4 Ru1 P2 89.13(8) . .
N3 Ru1 P2 91.96(8) . .
P1 Ru1 P2 177.49(3) . .
C57 P1 C51 100.64(17) . .
C57 P1 C45 101.64(18) . .
C51 P1 C45 103.82(16) . .
C57 P1 Ru1 111.58(12) . .
C51 P1 Ru1 116.35(12) . .
C45 P1 Ru1 120.16(13) . .
C77 P2 C65 101.30(18) . .
C77 P2 C71 101.50(17) . .
C65 P2 C71 105.82(18) . .
C77 P2 Ru1 112.34(14) . .
C65 P2 Ru1 116.03(12) . .
C71 P2 Ru1 117.69(13) . .
C1 N1 C4 107.4(3) . .
C1 N1 Ru1 126.4(2) . .
C4 N1 Ru1 126.2(2) . .
C9 N2 C6 107.5(3) . .
C9 N2 Ru1 126.3(2) . .
C6 N2 Ru1 126.2(2) . .
C11 N3 C14 107.5(3) . .
C11 N3 Ru1 126.4(2) . .
C14 N3 Ru1 126.0(2) . .
C19 N4 C16 107.4(3) . .
C19 N4 Ru1 126.6(2) . .
C16 N4 Ru1 126.1(2) . .
N1 C1 C20 125.7(3) . .
N1 C1 C2 108.3(3) . .
C20 C1 C2 125.9(3) . .
C3 C2 C1 108.3(3) . .
C3 C2 H2A 125.9 . .
C1 C2 H2A 125.9 . .
C2 C3 C4 107.7(3) . .
C2 C3 H3A 126.2 . .
C4 C3 H3A 126.2 . .
N1 C4 C5 125.3(3) . .
N1 C4 C3 108.3(3) . .
C5 C4 C3 126.3(3) . .
C6 C5 C4 125.9(3) . .
C6 C5 C21 116.5(3) . .
C4 C5 C21 117.6(3) . .
N2 C6 C5 125.6(3) . .
N2 C6 C7 108.1(3) . .
C5 C6 C7 126.2(3) . .
C8 C7 C6 108.1(3) . .
C8 C7 H7A 125.9 . .
C6 C7 H7A 125.9 . .
C7 C8 C9 107.5(3) . .
C7 C8 H8A 126.3 . .
C9 C8 H8A 126.3 . .
N2 C9 C10 126.1(3) . .
N2 C9 C8 108.7(3) . .
C10 C9 C8 125.1(3) . .
C9 C10 C11 125.6(3) . .
C9 C10 C27 114.7(3) . .
C11 C10 C27 119.4(3) . .
N3 C11 C10 125.6(3) . .
N3 C11 C12 108.5(3) . .
C10 C11 C12 125.9(3) . .
C13 C12 C11 107.8(3) . .
C13 C12 H12A 126.1 . .
C11 C12 H12A 126.1 . .
C12 C13 C14 107.7(3) . .
C12 C13 H13A 126.1 . .
C14 C13 H13A 126.1 . .
N3 C14 C15 125.7(3) . .
N3 C14 C13 108.5(3) . .
C15 C14 C13 125.8(3) . .
C16 C15 C14 126.5(3) . .
C16 C15 C33 116.8(3) . .
C14 C15 C33 116.5(3) . .
N4 C16 C15 125.4(3) . .
N4 C16 C17 108.3(3) . .
C15 C16 C17 126.2(3) . .
C18 C17 C16 108.0(3) . .
C18 C17 H17A 126.0 . .
C16 C17 H17A 126.0 . .
C17 C18 C19 107.6(3) . .
C17 C18 H18A 126.2 . .
C19 C18 H18A 126.2 . .
N4 C19 C20 125.5(3) . .
N4 C19 C18 108.7(3) . .
C20 C19 C18 125.7(3) . .
C19 C20 C1 125.8(3) . .
C19 C20 C39 117.7(3) . .
C1 C20 C39 116.5(3) . .
C22 C21 C26 118.8(3) . .
C22 C21 C5 122.0(3) . .
C26 C21 C5 119.2(4) . .
C21 C22 C23 120.8(4) . .
C21 C22 H22A 119.6 . .
C23 C22 H22A 119.6 . .
C24 C23 C22 119.6(4) . .
C24 C23 H23A 120.2 . .
C22 C23 H23A 120.2 . .
C25 C24 C23 119.9(4) . .
C25 C24 H24A 120.0 . .
C23 C24 H24A 120.0 . .
C24 C25 C26 120.6(4) . .
C24 C25 H25A 119.7 . .
C26 C25 H25A 119.7 . .
C25 C26 C21 120.2(4) . .
C25 C26 H26A 119.9 . .
C21 C26 H26A 119.9 . .
C32 C27 C28 118.2(4) . .
C32 C27 C10 120.4(4) . .
C28 C27 C10 121.1(4) . .
C29 C28 C27 120.6(4) . .
C29 C28 H28A 119.7 . .
C27 C28 H28A 119.7 . .
C30 C29 C28 120.2(4) . .
C30 C29 H29A 119.9 . .
C28 C29 H29A 119.9 . .
C31 C30 C29 119.9(4) . .
C31 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C30 C31 C32 119.9(4) . .
C30 C31 H31A 120.1 . .
C32 C31 H31A 120.1 . .
C27 C32 C31 121.2(4) . .
C27 C32 H32A 119.4 . .
C31 C32 H32A 119.4 . .
C38 C33 C34 117.2(3) . .
C38 C33 C15 120.0(4) . .
C34 C33 C15 122.8(3) . .
C33 C34 C35 120.6(4) . .
C33 C34 H34A 119.7 . .
C35 C34 H34A 119.7 . .
C36 C35 C34 121.2(4) . .
C36 C35 H35A 119.4 . .
C34 C35 H35A 119.4 . .
C37 C36 C35 119.0(4) . .
C37 C36 H36A 120.5 . .
C35 C36 H36A 120.5 . .
C36 C37 C38 120.2(4) . .
C36 C37 H37A 119.9 . .
C38 C37 H37A 119.9 . .
C33 C38 C37 121.7(4) . .
C33 C38 H38A 119.1 . .
C37 C38 H38A 119.1 . .
C40 C39 C44 117.7(4) . .
C40 C39 C20 121.5(3) . .
C44 C39 C20 120.8(3) . .
C39 C40 C41 120.9(4) . .
C39 C40 H40A 119.6 . .
C41 C40 H40A 119.6 . .
C42 C41 C40 120.9(4) . .
C42 C41 H41A 119.6 . .
C40 C41 H41A 119.6 . .
C41 C42 C43 119.2(4) . .
C41 C42 H42A 120.4 . .
C43 C42 H42A 120.4 . .
C42 C43 C44 120.2(4) . .
C42 C43 H43A 119.9 . .
C44 C43 H43A 119.9 . .
C39 C44 C43 121.2(4) . .
C39 C44 H44A 119.4 . .
C43 C44 H44A 119.4 . .
C50 C45 C46 118.3(4) . .
C50 C45 P1 121.1(3) . .
C46 C45 P1 120.6(3) . .
C47 C46 C45 120.0(4) . .
C47 C46 H46A 120.0 . .
C45 C46 H46A 120.0 . .
C48 C47 C46 121.2(4) . .
C48 C47 H47A 119.4 . .
C46 C47 H47A 119.4 . .
C47 C48 C49 119.2(4) . .
C47 C48 H48A 120.4 . .
C49 C48 H48A 120.4 . .
C48 C49 C50 120.3(5) . .
C48 C49 H49A 119.8 . .
C50 C49 H49A 119.8 . .
C45 C50 C49 121.0(4) . .
C45 C50 H50A 119.5 . .
C49 C50 H50A 119.5 . .
C52 C51 C56 118.2(3) . .
C52 C51 P1 121.5(3) . .
C56 C51 P1 120.2(3) . .
C51 C52 C53 121.1(4) . .
C51 C52 H52A 119.5 . .
C53 C52 H52A 119.5 . .
C54 C53 C52 119.0(4) . .
C54 C53 H53A 120.5 . .
C52 C53 H53A 120.5 . .
C55 C54 C53 120.6(4) . .
C55 C54 H54A 119.7 . .
C53 C54 H54A 119.7 . .
C54 C55 C56 120.3(4) . .
C54 C55 H55A 119.9 . .
C56 C55 H55A 119.9 . .
C55 C56 C51 120.9(4) . .
C55 C56 H56A 119.6 . .
C51 C56 H56A 119.6 . .
C58 C57 P1 176.4(4) . .
C57 C58 C59 178.5(5) . .
C60 C59 C64 118.6(4) . .
C60 C59 C58 121.9(4) . .
C64 C59 C58 119.6(4) . .
C59 C60 C61 120.7(4) . .
C59 C60 H60A 119.6 . .
C61 C60 H60A 119.6 . .
C62 C61 C60 119.6(5) . .
C62 C61 H61A 120.2 . .
C60 C61 H61A 120.2 . .
C63 C62 C61 120.4(4) . .
C63 C62 H62A 119.8 . .
C61 C62 H62A 119.8 . .
C62 C63 C64 119.8(4) . .
C62 C63 H63A 120.1 . .
C64 C63 H63A 120.1 . .
C63 C64 C59 120.8(4) . .
C63 C64 H64A 119.6 . .
C59 C64 H64A 119.6 . .
C66 C65 C70 118.1(4) . .
C66 C65 P2 124.0(3) . .
C70 C65 P2 117.8(3) . .
C65 C66 C67 120.4(4) . .
C65 C66 H66A 119.8 . .
C67 C66 H66A 119.8 . .
C68 C67 C66 121.4(5) . .
C68 C67 H67A 119.3 . .
C66 C67 H67A 119.3 . .
C69 C68 C67 119.0(4) . .
C69 C68 H68A 120.5 . .
C67 C68 H68A 120.5 . .
C68 C69 C70 120.0(4) . .
C68 C69 H69A 120.0 . .
C70 C69 H69A 120.0 . .
C65 C70 C69 121.0(4) . .
C65 C70 H70A 119.5 . .
C69 C70 H70A 119.5 . .
C72 C71 C76 118.2(4) . .
C72 C71 P2 118.8(3) . .
C76 C71 P2 122.9(3) . .
C73 C72 C71 121.3(4) . .
C73 C72 H72A 119.4 . .
C71 C72 H72A 119.4 . .
C74 C73 C72 120.2(4) . .
C74 C73 H73A 119.9 . .
C72 C73 H73A 119.9 . .
C75 C74 C73 119.4(4) . .
C75 C74 H74A 120.3 . .
C73 C74 H74A 120.3 . .
C74 C75 C76 120.8(4) . .
C74 C75 H75A 119.6 . .
C76 C75 H75A 119.6 . .
C75 C76 C71 120.1(4) . .
C75 C76 H76A 120.0 . .
C71 C76 H76A 120.0 . .
C78 C77 P2 173.4(4) . .
C77 C78 C79 177.6(5) . .
C84 C79 C80 120.0(4) . .
C84 C79 C78 121.3(4) . .
C80 C79 C78 118.7(4) . .
C81 C80 C79 120.3(5) . .
C81 C80 H80A 119.9 . .
C79 C80 H80A 119.9 . .
C82 C81 C80 119.2(5) . .
C82 C81 H81A 120.4 . .
C80 C81 H81A 120.4 . .
C81 C82 C83 121.4(5) . .
C81 C82 H82A 119.3 . .
C83 C82 H82A 119.3 . .
C82 C83 C84 119.3(5) . .
C82 C83 H83A 120.4 . .
C84 C83 H83A 120.4 . .
C79 C84 C83 119.8(5) . .
C79 C84 H84A 120.1 . .
C83 C84 H84A 120.1 . .
N2A Ru1A N2A 180.0(2) . 7
N2A Ru1A N1A 90.67(12) . 7
N2A Ru1A N1A 89.33(12) 7 7
N2A Ru1A N1A 89.33(12) . .
N2A Ru1A N1A 90.67(12) 7 .
N1A Ru1A N1A 180.00(13) 7 .
N2A Ru1A P1A 89.11(8) . 7
N2A Ru1A P1A 90.89(8) 7 7
N1A Ru1A P1A 92.03(8) 7 7
N1A Ru1A P1A 87.97(8) . 7
N2A Ru1A P1A 90.89(8) . .
N2A Ru1A P1A 89.11(8) 7 .
N1A Ru1A P1A 87.97(8) 7 .
N1A Ru1A P1A 92.03(8) . .
P1A Ru1A P1A 180.00(7) 7 .
C35A P1A C23A 102.35(18) . .
C35A P1A C29A 101.06(17) . .
C23A P1A C29A 103.40(17) . .
C35A P1A Ru1A 111.90(12) . .
C23A P1A Ru1A 116.83(11) . .
C29A P1A Ru1A 118.95(11) . .
C4A N1A C1A 107.1(3) . .
C4A N1A Ru1A 127.2(2) . .
C1A N1A Ru1A 125.8(2) . .
C6A N2A C9A 107.0(3) . .
C6A N2A Ru1A 127.2(3) . .
C9A N2A Ru1A 125.9(2) . .
N1A C1A C10A 125.6(3) . 7
N1A C1A C2A 108.8(3) . .
C10A C1A C2A 125.5(4) 7 .
C3A C2A C1A 107.5(4) . .
C3A C2A H2AA 126.3 . .
C1A C2A H2AA 126.3 . .
C2A C3A C4A 107.9(3) . .
C2A C3A H3AA 126.0 . .
C4A C3A H3AA 126.0 . .
N1A C4A C5A 125.3(3) . .
N1A C4A C3A 108.7(3) . .
C5A C4A C3A 126.0(3) . .
C6A C5A C4A 125.2(3) . .
C6A C5A C11A 116.9(3) . .
C4A C5A C11A 117.9(3) . .
N2A C6A C5A 125.8(3) . .
N2A C6A C7A 108.7(3) . .
C5A C6A C7A 125.6(3) . .
C8A C7A C6A 107.2(3) . .
C8A C7A H7AA 126.4 . .
C6A C7A H7AA 126.4 . .
C7A C8A C9A 108.2(3) . .
C7A C8A H8AA 125.9 . .
C9A C8A H8AA 125.9 . .
N2A C9A C10A 125.7(3) . .
N2A C9A C8A 109.0(3) . .
C10A C9A C8A 125.4(3) . .
C1A C10A C9A 126.4(3) 7 .
C1A C10A C17A 117.5(3) 7 .
C9A C10A C17A 116.1(3) . .
C16A C11A C12A 117.5(4) . .
C16A C11A C5A 121.7(3) . .
C12A C11A C5A 120.8(3) . .
C13A C12A C11A 121.5(4) . .
C13A C12A H12B 119.3 . .
C11A C12A H12B 119.3 . .
C14A C13A C12A 120.1(4) . .
C14A C13A H13B 119.9 . .
C12A C13A H13B 119.9 . .
C13A C14A C15A 119.8(4) . .
C13A C14A H14A 120.1 . .
C15A C14A H14A 120.1 . .
C14A C15A C16A 119.7(4) . .
C14A C15A H15A 120.1 . .
C16A C15A H15A 120.1 . .
C11A C16A C15A 121.4(4) . .
C11A C16A H16A 119.3 . .
C15A C16A H16A 119.3 . .
C22A C17A C18A 117.9(4) . .
C22A C17A C10A 121.1(3) . .
C18A C17A C10A 120.9(3) . .
C19A C18A C17A 121.0(4) . .
C19A C18A H18B 119.5 . .
C17A C18A H18B 119.5 . .
C20A C19A C18A 120.0(5) . .
C20A C19A H19A 120.0 . .
C18A C19A H19A 120.0 . .
C21A C20A C19A 120.3(5) . .
C21A C20A H20A 119.8 . .
C19A C20A H20A 119.8 . .
C20A C21A C22A 119.4(4) . .
C20A C21A H21A 120.3 . .
C22A C21A H21A 120.3 . .
C17A C22A C21A 121.3(4) . .
C17A C22A H22B 119.3 . .
C21A C22A H22B 119.3 . .
C24A C23A C28A 117.9(4) . .
C24A C23A P1A 119.8(3) . .
C28A C23A P1A 122.3(3) . .
C23A C24A C25A 121.3(4) . .
C23A C24A H24B 119.4 . .
C25A C24A H24B 119.4 . .
C26A C25A C24A 119.4(4) . .
C26A C25A H25B 120.3 . .
C24A C25A H25B 120.3 . .
C27A C26A C25A 119.9(4) . .
C27A C26A H26B 120.0 . .
C25A C26A H26B 120.0 . .
C26A C27A C28A 121.0(4) . .
C26A C27A H27A 119.5 . .
C28A C27A H27A 119.5 . .
C27A C28A C23A 120.5(4) . .
C27A C28A H28B 119.8 . .
C23A C28A H28B 119.8 . .
C34A C29A C30A 124.0(7) . .
C34A C29A P1A 115.4(6) . .
C30A C29A P1A 120.5(5) . .
C31A C30A C29A 122.5(9) . .
C31A C30A H30B 118.7 . .
C29A C30A H30B 118.7 . .
C30A C31A C32A 118.0(10) . .
C30A C31A H31B 121.0 . .
C32A C31A H31B 121.0 . .
C31A C32A C33A 118.6(8) . .
C31A C32A H32B 120.7 . .
C33A C32A H32B 120.7 . .
C34A C33A C32A 118.9(11) . .
C34A C33A H33A 120.6 . .
C32A C33A H33A 120.6 . .
C29A C34A C33A 117.6(10) . .
C29A C34A H34B 121.2 . .
C33A C34A H34B 121.2 . .
C31' C30' H30' 117.3 . .
C30' C31' H31' 119.5 . .
C34' C33' H33' 122.5 . .
C33' C34' H34' 120.8 . .
C36A C35A P1A 175.6(4) . .
C35A C36A C37A 179.9(5) . .
C38A C37A C42A 119.1(4) . .
C38A C37A C36A 121.8(3) . .
C42A C37A C36A 119.1(4) . .
C37A C38A C39A 120.3(4) . .
C37A C38A H38B 119.8 . .
C39A C38A H38B 119.8 . .
C40A C39A C38A 120.4(4) . .
C40A C39A H39A 119.8 . .
C38A C39A H39A 119.8 . .
C41A C40A C39A 119.8(4) . .
C41A C40A H40B 120.1 . .
C39A C40A H40B 120.1 . .
C40A C41A C42A 120.7(4) . .
C40A C41A H41B 119.6 . .
C42A C41A H41B 119.6 . .
C41A C42A C37A 119.6(4) . .
C41A C42A H42B 120.2 . .
C37A C42A H42B 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N2 2.048(3) .
Ru1 N1 2.051(3) .
Ru1 N4 2.059(3) .
Ru1 N3 2.060(3) .
Ru1 P1 2.3597(10) .
Ru1 P2 2.3784(10) .
P1 C57 1.762(4) .
P1 C51 1.832(4) .
P1 C45 1.838(4) .
P2 C77 1.764(4) .
P2 C65 1.831(4) .
P2 C71 1.832(4) .
N1 C1 1.381(4) .
N1 C4 1.386(4) .
N2 C9 1.376(4) .
N2 C6 1.380(4) .
N3 C11 1.373(4) .
N3 C14 1.382(4) .
N4 C19 1.375(4) .
N4 C16 1.388(4) .
C1 C20 1.401(5) .
C1 C2 1.438(5) .
C2 C3 1.341(5) .
C2 H2A 0.9500 .
C3 C4 1.441(5) .
C3 H3A 0.9500 .
C4 C5 1.399(5) .
C5 C6 1.396(5) .
C5 C21 1.511(5) .
C6 C7 1.440(5) .
C7 C8 1.342(5) .
C7 H7A 0.9500 .
C8 C9 1.439(5) .
C8 H8A 0.9500 .
C9 C10 1.398(5) .
C10 C11 1.399(5) .
C10 C27 1.503(5) .
C11 C12 1.449(5) .
C12 C13 1.338(5) .
C12 H12A 0.9500 .
C13 C14 1.444(5) .
C13 H13A 0.9500 .
C14 C15 1.399(5) .
C15 C16 1.391(5) .
C15 C33 1.509(5) .
C16 C17 1.435(5) .
C17 C18 1.346(5) .
C17 H17A 0.9500 .
C18 C19 1.440(5) .
C18 H18A 0.9500 .
C19 C20 1.399(5) .
C20 C39 1.498(5) .
C21 C22 1.376(5) .
C21 C26 1.398(5) .
C22 C23 1.400(5) .
C22 H22A 0.9500 .
C23 C24 1.384(6) .
C23 H23A 0.9500 .
C24 C25 1.370(6) .
C24 H24A 0.9500 .
C25 C26 1.387(5) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
C27 C32 1.373(5) .
C27 C28 1.389(5) .
C28 C29 1.381(6) .
C28 H28A 0.9500 .
C29 C30 1.375(6) .
C29 H29A 0.9500 .
C30 C31 1.364(6) .
C30 H30A 0.9500 .
C31 C32 1.389(6) .
C31 H31A 0.9500 .
C32 H32A 0.9500 .
C33 C38 1.361(5) .
C33 C34 1.368(5) .
C34 C35 1.390(6) .
C34 H34A 0.9500 .
C35 C36 1.354(6) .
C35 H35A 0.9500 .
C36 C37 1.340(6) .
C36 H36A 0.9500 .
C37 C38 1.397(5) .
C37 H37A 0.9500 .
C38 H38A 0.9500 .
C39 C40 1.379(5) .
C39 C44 1.383(5) .
C40 C41 1.387(6) .
C40 H40A 0.9500 .
C41 C42 1.359(6) .
C41 H41A 0.9500 .
C42 C43 1.376(6) .
C42 H42A 0.9500 .
C43 C44 1.383(6) .
C43 H43A 0.9500 .
C44 H44A 0.9500 .
C45 C50 1.373(6) .
C45 C46 1.390(5) .
C46 C47 1.384(5) .
C46 H46A 0.9500 .
C47 C48 1.364(6) .
C47 H47A 0.9500 .
C48 C49 1.368(6) .
C48 H48A 0.9500 .
C49 C50 1.388(6) .
C49 H49A 0.9500 .
C50 H50A 0.9500 .
C51 C52 1.385(5) .
C51 C56 1.391(5) .
C52 C53 1.393(5) .
C52 H52A 0.9500 .
C53 C54 1.377(6) .
C53 H53A 0.9500 .
C54 C55 1.367(6) .
C54 H54A 0.9500 .
C55 C56 1.373(5) .
C55 H55A 0.9500 .
C56 H56A 0.9500 .
C57 C58 1.198(5) .
C58 C59 1.441(5) .
C59 C60 1.375(6) .
C59 C64 1.385(5) .
C60 C61 1.390(6) .
C60 H60A 0.9500 .
C61 C62 1.374(6) .
C61 H61A 0.9500 .
C62 C63 1.364(6) .
C62 H62A 0.9500 .
C63 C64 1.383(5) .
C63 H63A 0.9500 .
C64 H64A 0.9500 .
C65 C66 1.373(6) .
C65 C70 1.388(5) .
C66 C67 1.387(6) .
C66 H66A 0.9500 .
C67 C68 1.369(6) .
C67 H67A 0.9500 .
C68 C69 1.369(6) .
C68 H68A 0.9500 .
C69 C70 1.396(6) .
C69 H69A 0.9500 .
C70 H70A 0.9500 .
C71 C72 1.386(5) .
C71 C76 1.392(5) .
C72 C73 1.379(5) .
C72 H72A 0.9500 .
C73 C74 1.375(5) .
C73 H73A 0.9500 .
C74 C75 1.373(6) .
C74 H74A 0.9500 .
C75 C76 1.389(6) .
C75 H75A 0.9500 .
C76 H76A 0.9500 .
C77 C78 1.188(5) .
C78 C79 1.450(5) .
C79 C84 1.378(6) .
C79 C80 1.387(6) .
C80 C81 1.386(6) .
C80 H80A 0.9500 .
C81 C82 1.366(8) .
C81 H81A 0.9500 .
C82 C83 1.381(8) .
C82 H82A 0.9500 .
C83 C84 1.392(6) .
C83 H83A 0.9500 .
C84 H84A 0.9500 .
Ru1A N2A 2.046(3) .
Ru1A N2A 2.046(3) 7
Ru1A N1A 2.056(3) 7
Ru1A N1A 2.056(3) .
Ru1A P1A 2.3684(9) 7
Ru1A P1A 2.3684(9) .
P1A C35A 1.767(4) .
P1A C23A 1.835(4) .
P1A C29A 1.842(4) .
N1A C4A 1.377(4) .
N1A C1A 1.380(5) .
N2A C6A 1.381(4) .
N2A C9A 1.383(4) .
C1A C10A 1.395(5) 7
C1A C2A 1.440(5) .
C2A C3A 1.342(5) .
C2A H2AA 0.9500 .
C3A C4A 1.439(5) .
C3A H3AA 0.9500 .
C4A C5A 1.411(5) .
C5A C6A 1.396(5) .
C5A C11A 1.508(5) .
C6A C7A 1.457(5) .
C7A C8A 1.342(5) .
C7A H7AA 0.9500 .
C8A C9A 1.438(5) .
C8A H8AA 0.9500 .
C9A C10A 1.396(5) .
C10A C1A 1.395(5) 7
C10A C17A 1.500(5) .
C11A C16A 1.384(5) .
C11A C12A 1.389(5) .
C12A C13A 1.386(5) .
C12A H12B 0.9500 .
C13A C14A 1.369(6) .
C13A H13B 0.9500 .
C14A C15A 1.379(6) .
C14A H14A 0.9500 .
C15A C16A 1.394(6) .
C15A H15A 0.9500 .
C16A H16A 0.9500 .
C17A C22A 1.380(5) .
C17A C18A 1.390(5) .
C18A C19A 1.378(6) .
C18A H18B 0.9500 .
C19A C20A 1.377(7) .
C19A H19A 0.9500 .
C20A C21A 1.367(7) .
C20A H20A 0.9500 .
C21A C22A 1.392(6) .
C21A H21A 0.9500 .
C22A H22B 0.9500 .
C23A C24A 1.382(5) .
C23A C28A 1.394(5) .
C24A C25A 1.392(6) .
C24A H24B 0.9500 .
C25A C26A 1.376(6) .
C25A H25B 0.9500 .
C26A C27A 1.362(6) .
C26A H26B 0.9500 .
C27A C28A 1.378(6) .
C27A H27A 0.9500 .
C28A H28B 0.9500 .
C29A C34A 1.350(11) .
C29A C30A 1.371(10) .
C30A C31A 1.366(13) .
C30A H30B 0.9500 .
C31A C32A 1.426(12) .
C31A H31B 0.9500 .
C32A C33A 1.481(13) .
C32A H32B 0.9500 .
C33A C34A 1.432(15) .
C33A H33A 0.9500 .
C34A H34B 0.9500 .
C30' C31' 1.395(11) .
C30' H30' 0.9500 .
C31' H31' 0.9500 .
C33' C34' 1.440(14) .
C33' H33' 0.9500 .
C34' H34' 0.9500 .
C35A C36A 1.192(5) .
C36A C37A 1.441(5) .
C37A C38A 1.375(5) .
C37A C42A 1.400(5) .
C38A C39A 1.378(6) .
C38A H38B 0.9500 .
C39A C40A 1.372(6) .
C39A H39A 0.9500 .
C40A C41A 1.366(6) .
C40A H40B 0.9500 .
C41A C42A 1.377(6) .
C41A H41B 0.9500 .
C42A H42B 0.9500 .
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_4
N2 Ru1 P1 C57 -35.24(16) . .
N1 Ru1 P1 C57 54.83(16) . .
N4 Ru1 P1 C57 144.62(16) . .
N3 Ru1 P1 C57 -125.15(16) . .
N2 Ru1 P1 C51 79.43(16) . .
N1 Ru1 P1 C51 169.50(15) . .
N4 Ru1 P1 C51 -100.71(16) . .
N3 Ru1 P1 C51 -10.49(16) . .
N2 Ru1 P1 C45 -153.98(16) . .
N1 Ru1 P1 C45 -63.90(16) . .
N4 Ru1 P1 C45 25.88(16) . .
N3 Ru1 P1 C45 116.11(16) . .
N2 Ru1 P2 C77 109.80(16) . .
N1 Ru1 P2 C77 19.78(16) . .
N4 Ru1 P2 C77 -70.08(16) . .
N3 Ru1 P2 C77 -160.27(16) . .
N2 Ru1 P2 C65 -134.33(16) . .
N1 Ru1 P2 C65 135.65(16) . .
N4 Ru1 P2 C65 45.79(16) . .
N3 Ru1 P2 C65 -44.40(16) . .
N2 Ru1 P2 C71 -7.53(16) . .
N1 Ru1 P2 C71 -97.55(16) . .
N4 Ru1 P2 C71 172.59(16) . .
N3 Ru1 P2 C71 82.40(16) . .
N2 Ru1 N1 C1 177.6(3) . .
N4 Ru1 N1 C1 -2.9(3) . .
P1 Ru1 N1 C1 89.4(3) . .
N2 Ru1 N1 C4 -3.9(3) . .
N4 Ru1 N1 C4 175.6(3) . .
P1 Ru1 N1 C4 -92.1(3) . .
P2 Ru1 N1 C4 86.5(3) . .
N1 Ru1 N2 C9 -175.3(3) . .
N3 Ru1 N2 C9 3.3(3) . .
P1 Ru1 N2 C9 -86.8(3) . .
P2 Ru1 N2 C9 95.2(3) . .
N1 Ru1 N2 C6 8.8(3) . .
N3 Ru1 N2 C6 -172.7(3) . .
P1 Ru1 N2 C6 97.2(3) . .
P2 Ru1 N2 C6 -80.7(3) . .
N2 Ru1 N3 C11 -3.3(3) . .
N4 Ru1 N3 C11 177.2(3) . .
P1 Ru1 N3 C11 84.9(3) . .
P2 Ru1 N3 C11 -93.6(3) . .
N2 Ru1 N3 C14 -178.0(3) . .
N4 Ru1 N3 C14 2.4(3) . .
P1 Ru1 N3 C14 -89.9(3) . .
P2 Ru1 N3 C14 91.6(3) . .
N1 Ru1 N4 C19 -0.8(3) . .
N3 Ru1 N4 C19 -179.4(3) . .
P1 Ru1 N4 C19 -89.3(3) . .
P2 Ru1 N4 C19 88.7(3) . .
N1 Ru1 N4 C16 178.1(3) . .
N3 Ru1 N4 C16 -0.5(3) . .
P1 Ru1 N4 C16 89.6(3) . .
P2 Ru1 N4 C16 -92.4(3) . .
C4 N1 C1 C20 -174.1(3) . .
Ru1 N1 C1 C20 4.6(5) . .
C4 N1 C1 C2 2.6(4) . .
Ru1 N1 C1 C2 -178.7(2) . .
N1 C1 C2 C3 -2.2(4) . .
C20 C1 C2 C3 174.5(3) . .
C1 C2 C3 C4 1.0(4) . .
C1 N1 C4 C5 175.8(3) . .
Ru1 N1 C4 C5 -2.9(5) . .
C1 N1 C4 C3 -2.0(4) . .
Ru1 N1 C4 C3 179.3(2) . .
C2 C3 C4 N1 0.6(4) . .
C2 C3 C4 C5 -177.2(3) . .
N1 C4 C5 C6 7.5(6) . .
C3 C4 C5 C6 -175.1(4) . .
N1 C4 C5 C21 -172.7(3) . .
C3 C4 C5 C21 4.7(5) . .
C9 N2 C6 C5 175.8(4) . .
Ru1 N2 C6 C5 -7.6(5) . .
C9 N2 C6 C7 -0.6(4) . .
Ru1 N2 C6 C7 176.0(2) . .
C4 C5 C6 N2 -1.9(6) . .
C21 C5 C6 N2 178.3(3) . .
C4 C5 C6 C7 173.9(4) . .
C21 C5 C6 C7 -5.9(6) . .
N2 C6 C7 C8 1.8(4) . .
C5 C6 C7 C8 -174.6(4) . .
C6 C7 C8 C9 -2.1(4) . .
C6 N2 C9 C10 175.1(4) . .
Ru1 N2 C9 C10 -1.4(5) . .
C6 N2 C9 C8 -0.7(4) . .
Ru1 N2 C9 C8 -177.2(2) . .
C7 C8 C9 N2 1.8(4) . .
C7 C8 C9 C10 -174.1(4) . .
N2 C9 C10 C11 -2.0(6) . .
C8 C9 C10 C11 173.1(4) . .
N2 C9 C10 C27 -176.3(3) . .
C8 C9 C10 C27 -1.2(5) . .
C14 N3 C11 C10 177.0(3) . .
Ru1 N3 C11 C10 1.4(5) . .
C14 N3 C11 C12 -1.2(4) . .
Ru1 N3 C11 C12 -176.8(2) . .
C9 C10 C11 N3 2.0(6) . .
C27 C10 C11 N3 176.1(3) . .
C9 C10 C11 C12 179.9(4) . .
C27 C10 C11 C12 -6.1(6) . .
N3 C11 C12 C13 0.5(4) . .
C10 C11 C12 C13 -177.6(4) . .
C11 C12 C13 C14 0.4(4) . .
C11 N3 C14 C15 -177.1(3) . .
Ru1 N3 C14 C15 -1.5(5) . .
C11 N3 C14 C13 1.4(4) . .
Ru1 N3 C14 C13 177.0(2) . .
C12 C13 C14 N3 -1.1(4) . .
C12 C13 C14 C15 177.4(4) . .
N3 C14 C15 C16 -2.4(6) . .
C13 C14 C15 C16 179.3(4) . .
N3 C14 C15 C33 173.5(3) . .
C13 C14 C15 C33 -4.8(5) . .
C19 N4 C16 C15 176.4(4) . .
Ru1 N4 C16 C15 -2.7(5) . .
C19 N4 C16 C17 -0.9(4) . .
Ru1 N4 C16 C17 -179.9(2) . .
C14 C15 C16 N4 4.7(6) . .
C33 C15 C16 N4 -171.2(3) . .
C14 C15 C16 C17 -178.5(4) . .
C33 C15 C16 C17 5.6(6) . .
N4 C16 C17 C18 -0.4(4) . .
C15 C16 C17 C18 -177.7(4) . .
C16 C17 C18 C19 1.5(5) . .
C16 N4 C19 C20 -175.7(3) . .
Ru1 N4 C19 C20 3.4(5) . .
C16 N4 C19 C18 1.8(4) . .
Ru1 N4 C19 C18 -179.2(2) . .
C17 C18 C19 N4 -2.0(4) . .
C17 C18 C19 C20 175.4(4) . .
N4 C19 C20 C1 -2.4(6) . .
C18 C19 C20 C1 -179.4(4) . .
N4 C19 C20 C39 178.1(3) . .
C18 C19 C20 C39 1.0(6) . .
N1 C1 C20 C19 -1.8(6) . .
C2 C1 C20 C19 -178.0(4) . .
N1 C1 C20 C39 177.7(3) . .
C2 C1 C20 C39 1.5(5) . .
C6 C5 C21 C22 113.6(4) . .
C4 C5 C21 C22 -66.2(5) . .
C6 C5 C21 C26 -64.9(5) . .
C4 C5 C21 C26 115.3(4) . .
C26 C21 C22 C23 0.1(6) . .
C5 C21 C22 C23 -178.5(4) . .
C21 C22 C23 C24 0.1(6) . .
C22 C23 C24 C25 -0.4(6) . .
C23 C24 C25 C26 0.7(7) . .
C24 C25 C26 C21 -0.5(6) . .
C22 C21 C26 C25 0.2(6) . .
C5 C21 C26 C25 178.7(4) . .
C9 C10 C27 C32 100.1(4) . .
C11 C10 C27 C32 -74.5(4) . .
C9 C10 C27 C28 -73.1(4) . .
C11 C10 C27 C28 112.2(4) . .
C32 C27 C28 C29 -1.4(6) . .
C10 C27 C28 C29 172.1(4) . .
C27 C28 C29 C30 -0.9(6) . .
C28 C29 C30 C31 1.7(7) . .
C29 C30 C31 C32 -0.3(6) . .
C28 C27 C32 C31 2.8(5) . .
C10 C27 C32 C31 -170.7(3) . .
C30 C31 C32 C27 -2.0(6) . .
C16 C15 C33 C38 91.2(5) . .
C14 C15 C33 C38 -85.1(5) . .
C16 C15 C33 C34 -87.0(5) . .
C14 C15 C33 C34 96.7(5) . .
C38 C33 C34 C35 2.3(8) . .
C15 C33 C34 C35 -179.4(5) . .
C33 C34 C35 C36 -0.8(9) . .
C34 C35 C36 C37 -0.2(9) . .
C35 C36 C37 C38 -0.4(8) . .
C34 C33 C38 C37 -2.9(8) . .
C15 C33 C38 C37 178.8(4) . .
C36 C37 C38 C33 2.0(8) . .
C19 C20 C39 C40 -75.9(5) . .
C1 C20 C39 C40 104.6(4) . .
C19 C20 C39 C44 104.3(4) . .
C1 C20 C39 C44 -75.2(5) . .
C44 C39 C40 C41 -0.1(7) . .
C20 C39 C40 C41 -179.9(4) . .
C39 C40 C41 C42 0.7(8) . .
C40 C41 C42 C43 -0.4(8) . .
C41 C42 C43 C44 -0.6(7) . .
C40 C39 C44 C43 -0.9(6) . .
C20 C39 C44 C43 179.0(4) . .
C42 C43 C44 C39 1.2(7) . .
C57 P1 C45 C50 5.6(4) . .
C51 P1 C45 C50 -98.5(3) . .
Ru1 P1 C45 C50 129.3(3) . .
C57 P1 C45 C46 -173.7(3) . .
C51 P1 C45 C46 82.1(3) . .
Ru1 P1 C45 C46 -50.1(3) . .
C50 C45 C46 C47 -0.2(5) . .
P1 C45 C46 C47 179.2(3) . .
C45 C46 C47 C48 1.2(6) . .
C46 C47 C48 C49 -1.2(7) . .
C47 C48 C49 C50 0.3(7) . .
C46 C45 C50 C49 -0.8(6) . .
P1 C45 C50 C49 179.8(4) . .
C48 C49 C50 C45 0.7(8) . .
C57 P1 C51 C52 30.0(4) . .
C45 P1 C51 C52 134.9(3) . .
Ru1 P1 C51 C52 -90.7(3) . .
C57 P1 C51 C56 -154.2(3) . .
C45 P1 C51 C56 -49.2(3) . .
Ru1 P1 C51 C56 85.1(3) . .
C56 C51 C52 C53 1.2(6) . .
P1 C51 C52 C53 177.1(3) . .
C51 C52 C53 C54 -0.6(7) . .
C52 C53 C54 C55 0.4(7) . .
C53 C54 C55 C56 -0.8(7) . .
C54 C55 C56 C51 1.4(7) . .
C52 C51 C56 C55 -1.6(6) . .
P1 C51 C56 C55 -177.6(3) . .
C64 C59 C60 C61 -0.9(7) . .
C58 C59 C60 C61 179.5(4) . .
C59 C60 C61 C62 0.0(8) . .
C60 C61 C62 C63 0.7(8) . .
C61 C62 C63 C64 -0.5(7) . .
C62 C63 C64 C59 -0.4(6) . .
C60 C59 C64 C63 1.1(6) . .
C58 C59 C64 C63 -179.3(4) . .
C77 P2 C65 C66 -133.8(3) . .
C71 P2 C65 C66 -28.2(4) . .
Ru1 P2 C65 C66 104.3(3) . .
C77 P2 C65 C70 49.6(3) . .
C71 P2 C65 C70 155.2(3) . .
Ru1 P2 C65 C70 -72.3(3) . .
C70 C65 C66 C67 -1.2(6) . .
P2 C65 C66 C67 -177.8(3) . .
C65 C66 C67 C68 -0.1(7) . .
C66 C67 C68 C69 0.6(7) . .
C67 C68 C69 C70 0.0(7) . .
C66 C65 C70 C69 1.9(6) . .
P2 C65 C70 C69 178.7(3) . .
C68 C69 C70 C65 -1.3(6) . .
C77 P2 C71 C72 -178.4(3) . .
C65 P2 C71 C72 76.2(3) . .
Ru1 P2 C71 C72 -55.4(4) . .
C77 P2 C71 C76 -2.0(4) . .
C65 P2 C71 C76 -107.4(4) . .
Ru1 P2 C71 C76 121.0(3) . .
C76 C71 C72 C73 -1.9(6) . .
P2 C71 C72 C73 174.6(3) . .
C71 C72 C73 C74 1.2(6) . .
C72 C73 C74 C75 0.5(7) . .
C73 C74 C75 C76 -1.4(7) . .
C74 C75 C76 C71 0.6(7) . .
C72 C71 C76 C75 1.0(6) . .
P2 C71 C76 C75 -175.4(4) . .
C84 C79 C80 C81 -1.7(6) . .
C78 C79 C80 C81 178.1(4) . .
C79 C80 C81 C82 0.2(7) . .
C80 C81 C82 C83 1.9(8) . .
C81 C82 C83 C84 -2.4(8) . .
C80 C79 C84 C83 1.1(6) . .
C78 C79 C84 C83 -178.6(4) . .
C82 C83 C84 C79 0.9(7) . .
N2A Ru1A P1A C35A 112.57(17) . .
N2A Ru1A P1A C35A -67.43(17) 7 .
N1A Ru1A P1A C35A 21.93(17) 7 .
N1A Ru1A P1A C35A -158.07(17) . .
N2A Ru1A P1A C23A -129.94(17) . .
N2A Ru1A P1A C23A 50.06(17) 7 .
N1A Ru1A P1A C23A 139.42(17) 7 .
N1A Ru1A P1A C23A -40.58(17) . .
N2A Ru1A P1A C29A -4.74(17) . .
N2A Ru1A P1A C29A 175.26(17) 7 .
N1A Ru1A P1A C29A -95.37(17) 7 .
N1A Ru1A P1A C29A 84.63(17) . .
N2A Ru1A N1A C4A 2.2(3) . .
N2A Ru1A N1A C4A -177.8(3) 7 .
P1A Ru1A N1A C4A 91.4(3) 7 .
P1A Ru1A N1A C4A -88.6(3) . .
N2A Ru1A N1A C1A -178.6(3) . .
N2A Ru1A N1A C1A 1.4(3) 7 .
P1A Ru1A N1A C1A -89.5(3) 7 .
P1A Ru1A N1A C1A 90.5(3) . .
N1A Ru1A N2A C6A 179.0(3) 7 .
N1A Ru1A N2A C6A -1.0(3) . .
P1A Ru1A N2A C6A -89.0(3) 7 .
P1A Ru1A N2A C6A 91.0(3) . .
N1A Ru1A N2A C9A 0.0(3) 7 .
N1A Ru1A N2A C9A 180.0(3) . .
P1A Ru1A N2A C9A 92.0(3) 7 .
P1A Ru1A N2A C9A -88.0(3) . .
C4A N1A C1A C10A 177.9(3) . 7
Ru1A N1A C1A C10A -1.3(5) . 7
C4A N1A C1A C2A 0.9(4) . .
Ru1A N1A C1A C2A -178.4(2) . .
N1A C1A C2A C3A -0.3(4) . .
C10A C1A C2A C3A -177.3(3) 7 .
C1A C2A C3A C4A -0.5(4) . .
C1A N1A C4A C5A 178.2(3) . .
Ru1A N1A C4A C5A -2.6(5) . .
C1A N1A C4A C3A -1.2(4) . .
Ru1A N1A C4A C3A 178.1(2) . .
C2A C3A C4A N1A 1.0(4) . .
C2A C3A C4A C5A -178.3(3) . .
N1A C4A C5A C6A 1.0(5) . .
C3A C4A C5A C6A -179.8(3) . .
N1A C4A C5A C11A -178.1(3) . .
C3A C4A C5A C11A 1.2(5) . .
C9A N2A C6A C5A 179.2(3) . .
Ru1A N2A C6A C5A 0.0(5) . .
C9A N2A C6A C7A -0.6(4) . .
Ru1A N2A C6A C7A -179.8(2) . .
C4A C5A C6A N2A 0.4(5) . .
C11A C5A C6A N2A 179.4(3) . .
C4A C5A C6A C7A -179.8(3) . .
C11A C5A C6A C7A -0.8(5) . .
N2A C6A C7A C8A 0.2(4) . .
C5A C6A C7A C8A -179.5(3) . .
C6A C7A C8A C9A 0.2(4) . .
C6A N2A C9A C10A -177.5(3) . .
Ru1A N2A C9A C10A 1.7(5) . .
C6A N2A C9A C8A 0.8(4) . .
Ru1A N2A C9A C8A 179.9(2) . .
C7A C8A C9A N2A -0.6(4) . .
C7A C8A C9A C10A 177.6(3) . .
N2A C9A C10A C1A -2.2(6) . 7
C8A C9A C10A C1A 179.8(3) . 7
N2A C9A C10A C17A 177.8(3) . .
C8A C9A C10A C17A -0.2(5) . .
C6A C5A C11A C16A 58.3(5) . .
C4A C5A C11A C16A -122.6(4) . .
C6A C5A C11A C12A -118.5(4) . .
C4A C5A C11A C12A 60.6(5) . .
C16A C11A C12A C13A -0.3(6) . .
C5A C11A C12A C13A 176.6(4) . .
C11A C12A C13A C14A 0.4(6) . .
C12A C13A C14A C15A -0.1(7) . .
C13A C14A C15A C16A -0.4(8) . .
C12A C11A C16A C15A -0.2(6) . .
C5A C11A C16A C15A -177.1(4) . .
C14A C15A C16A C11A 0.6(8) . .
C1A C10A C17A C22A 73.3(5) 7 .
C9A C10A C17A C22A -106.7(4) . .
C1A C10A C17A C18A -108.4(4) 7 .
C9A C10A C17A C18A 71.6(5) . .
C22A C17A C18A C19A 0.6(7) . .
C10A C17A C18A C19A -177.8(4) . .
C17A C18A C19A C20A -0.4(8) . .
C18A C19A C20A C21A 0.0(8) . .
C19A C20A C21A C22A 0.3(8) . .
C18A C17A C22A C21A -0.3(7) . .
C10A C17A C22A C21A 178.0(4) . .
C20A C21A C22A C17A -0.1(7) . .
C35A P1A C23A C24A -174.7(3) . .
C29A P1A C23A C24A -70.0(3) . .
Ru1A P1A C23A C24A 62.7(3) . .
C35A P1A C23A C28A 7.9(4) . .
C29A P1A C23A C28A 112.7(3) . .
Ru1A P1A C23A C28A -114.6(3) . .
C28A C23A C24A C25A -2.0(6) . .
P1A C23A C24A C25A -179.5(3) . .
C23A C24A C25A C26A 1.1(6) . .
C24A C25A C26A C27A 0.5(6) . .
C25A C26A C27A C28A -1.2(7) . .
C26A C27A C28A C23A 0.3(6) . .
C24A C23A C28A C27A 1.3(6) . .
P1A C23A C28A C27A 178.7(3) . .
C35A P1A C29A C34A -37.0(4) . .
C23A P1A C29A C34A -142.7(4) . .
Ru1A P1A C29A C34A 85.9(4) . .
C35A P1A C29A C30A 146.3(3) . .
C23A P1A C29A C30A 40.7(3) . .
Ru1A P1A C29A C30A -90.8(3) . .
C34A C29A C30A C31A 1.8(3) . .
P1A C29A C30A C31A 178.1(3) . .
C29A C30A C31A C32A 3.1(3) . .
C30A C31A C32A C33A -7.4(5) . .
C31A C32A C33A C34A 7.3(7) . .
C30A C29A C34A C33A -1.9(6) . .
P1A C29A C34A C33A -178.4(4) . .
C32A C33A C34A C29A -2.7(8) . .
C42A C37A C38A C39A 0.6(6) . .
C36A C37A C38A C39A 179.8(4) . .
C37A C38A C39A C40A -0.5(6) . .
C38A C39A C40A C41A -0.6(7) . .
C39A C40A C41A C42A 1.5(7) . .
C40A C41A C42A C37A -1.4(6) . .
C38A C37A C42A C41A 0.3(6) . .
C36A C37A C42A C41A -179.0(4) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168349091
