#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:12:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179098 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/60/4306049.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_4306049
loop_
_publ_author_name
'Sanjay Kumar Singh'
'Sanjeev Sharma'
'Sudhakar Dhar Dwivedi'
'Ru-Qiang Zou'
'Qiang Xu'
'Daya Shankar Pandey'
_publ_section_title
;
Reactivity of the Oxime/Oximato Group in Ruthenium(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11942
_journal_page_last               11949
_journal_paper_doi               10.1021/ic8009699
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        Synthesis
_chemical_formula_moiety         'C46 H40 F6 N3 O4 P3 Ru'
_chemical_formula_sum            'C46 H40 F6 N3 O4 P3 Ru'
_chemical_formula_weight         1006.79
_chemical_name_systematic        '[(k3-dapdoH)RuCOCl(PPh3)2]PF6'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(6)
_cell_angle_beta                 106.15
_cell_angle_gamma                90.000(8)
_cell_formula_units_Z            8
_cell_length_a                   15.919(2)
_cell_length_b                   24.2481(16)
_cell_length_c                   24.8093(16)
_cell_measurement_temperature    293(2)
_cell_volume                     9198.6(14)
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_sigmaI/netI    0.1294
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16740
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.20
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.8820
_exptl_absorpt_correction_T_min  0.8403
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4096
_exptl_crystal_recrystallization_method Acetone-Ethanol
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.082
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1139
_refine_ls_number_reflns         16099
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1557
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0942P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1747
_reflns_number_gt                9287
_reflns_number_total             16099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8009699_si_001_1.cif
_cod_data_source_block           complex-1
_cod_original_cell_volume        9198.7(15)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4306049
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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 0.26861(3) -0.10334(2) 0.25920(2) 0.02711(14) Uani 1 1 d . . .
Ru2 Ru 0.25358(3) 0.42367(2) 0.23566(2) 0.02481(14) Uani 1 1 d . . .
P1 P 0.27015(11) -0.05535(7) 0.34553(7) 0.0300(4) Uani 1 1 d . . .
P2 P 0.27681(11) -0.15472(7) 0.17707(7) 0.0350(4) Uani 1 1 d . . .
P3 P 0.26513(10) 0.43484(7) 0.33383(7) 0.0282(4) Uani 1 1 d . . .
P4 P 0.24687(11) 0.41220(7) 0.13793(7) 0.0320(4) Uani 1 1 d . . .
P5 P 0.75985(15) 0.35189(11) 0.12429(10) 0.0614(6) Uani 1 1 d . . .
P6 P 0.20971(17) 0.73726(9) 0.49919(10) 0.0621(6) Uani 1 1 d . . .
F1 F 0.7994(4) 0.3235(3) 0.0811(3) 0.135(3) Uani 1 1 d . . .
F2 F 0.8457(4) 0.3404(3) 0.1729(3) 0.124(3) Uani 1 1 d . . .
F3 F 0.7163(4) 0.3805(3) 0.1665(3) 0.125(2) Uani 1 1 d . . .
F4 F 0.7213(4) 0.2960(3) 0.1379(3) 0.124(2) Uani 1 1 d . . .
F5 F 0.6741(3) 0.3632(3) 0.0761(3) 0.114(2) Uani 1 1 d . . .
F6 F 0.8010(4) 0.4077(3) 0.1105(3) 0.123(2) Uani 1 1 d . . .
F7 F 0.2237(7) 0.7994(3) 0.5015(3) 0.181(4) Uani 1 1 d . . .
F8 F 0.2401(8) 0.7409(3) 0.5635(3) 0.192(5) Uani 1 1 d . . .
F9 F 0.1200(6) 0.7503(7) 0.4955(6) 0.327(10) Uani 1 1 d . . .
F10 F 0.2024(9) 0.6756(3) 0.4982(4) 0.219(6) Uani 1 1 d . . .
F11 F 0.2989(5) 0.7236(6) 0.4996(5) 0.268(8) Uani 1 1 d . . .
F12 F 0.1836(6) 0.7321(4) 0.4357(3) 0.187(4) Uani 1 1 d . . .
N3 N 0.1747(3) -0.1609(2) 0.2700(2) 0.0351(13) Uani 1 1 d . . .
N2 N 0.3405(3) -0.1623(2) 0.3077(2) 0.0320(13) Uani 1 1 d . . .
N1 N 0.3938(3) -0.0736(2) 0.2708(2) 0.0306(12) Uani 1 1 d . . .
N6 N 0.1669(3) 0.3569(2) 0.2317(2) 0.0307(12) Uani 1 1 d . . .
N5 N 0.3325(3) 0.3573(2) 0.2548(2) 0.0266(12) Uani 1 1 d . . .
N4 N 0.3773(3) 0.4589(2) 0.2493(2) 0.0286(12) Uani 1 1 d . . .
O3 O 0.0852(3) -0.1628(2) 0.2483(2) 0.0507(13) Uani 1 1 d . . .
H1 H 0.0684 -0.1352 0.2293 0.076 Uiso 1 1 calc R . .
O2 O 0.4150(3) -0.02657(19) 0.2536(2) 0.0467(12) Uani 1 1 d . . .
O1 O 0.1685(4) -0.0131(2) 0.1826(2) 0.0681(17) Uani 1 1 d . . .
O6 O 0.0777(3) 0.3551(2) 0.2210(2) 0.0474(13) Uani 1 1 d . . .
H1A H 0.0577 0.3863 0.2144 0.071 Uiso 1 1 calc R . .
O5 O 0.3935(3) 0.51108(17) 0.24537(18) 0.0351(11) Uani 1 1 d . . .
O4 O 0.1395(3) 0.5254(2) 0.2074(2) 0.0565(14) Uani 1 1 d . . .
C17 C 0.1821(4) -0.0740(3) 0.3762(3) 0.0333(15) Uani 1 1 d . . .
C18 C 0.0987(4) -0.0730(3) 0.3411(3) 0.0428(18) Uani 1 1 d . . .
H18A H 0.0901 -0.0669 0.3029 0.051 Uiso 1 1 calc R . .
C19 C 0.0268(5) -0.0809(3) 0.3617(3) 0.056(2) Uani 1 1 d . . .
H19 H -0.0295 -0.0787 0.3376 0.067 Uiso 1 1 calc R . .
C20 C 0.0388(6) -0.0921(4) 0.4175(4) 0.063(2) Uani 1 1 d . . .
H20A H -0.0091 -0.0990 0.4310 0.075 Uiso 1 1 calc R . .
C21 C 0.1223(5) -0.0931(3) 0.4536(4) 0.059(2) Uani 1 1 d . . .
H21 H 0.1305 -0.1002 0.4916 0.071 Uiso 1 1 calc R . .
C22 C 0.1930(5) -0.0837(3) 0.4337(3) 0.053(2) Uani 1 1 d . . .
H22 H 0.2489 -0.0838 0.4584 0.064 Uiso 1 1 calc R . .
C23 C 0.3723(4) -0.0656(3) 0.4006(3) 0.0349(16) Uani 1 1 d . . .
C24 C 0.4386(5) -0.0266(4) 0.4076(3) 0.055(2) Uani 1 1 d . . .
H24 H 0.4297 0.0058 0.3868 0.065 Uiso 1 1 calc R . .
C25 C 0.5192(6) -0.0375(5) 0.4470(4) 0.080(3) Uani 1 1 d . . .
H25 H 0.5640 -0.0119 0.4512 0.096 Uiso 1 1 calc R . .
C26 C 0.5343(6) -0.0828(5) 0.4785(4) 0.077(3) Uani 1 1 d . . .
H26 H 0.5879 -0.0881 0.5050 0.092 Uiso 1 1 calc R . .
C27 C 0.4698(6) -0.1211(4) 0.4710(3) 0.066(3) Uani 1 1 d . . .
H27 H 0.4804 -0.1533 0.4922 0.079 Uiso 1 1 calc R . .
C28 C 0.3889(5) -0.1136(3) 0.4329(3) 0.051(2) Uani 1 1 d . . .
H28 H 0.3458 -0.1405 0.4287 0.061 Uiso 1 1 calc R . .
C11 C 0.2610(4) 0.0201(3) 0.3435(3) 0.0343(15) Uani 1 1 d . . .
C12 C 0.2796(4) 0.0511(3) 0.3009(3) 0.0389(17) Uani 1 1 d . . .
H12 H 0.2948 0.0332 0.2718 0.047 Uiso 1 1 calc R . .
C13 C 0.2755(5) 0.1081(3) 0.3015(3) 0.0483(19) Uani 1 1 d . . .
H13 H 0.2863 0.1285 0.2723 0.058 Uiso 1 1 calc R . .
C14 C 0.2559(5) 0.1344(3) 0.3449(3) 0.050(2) Uani 1 1 d . . .
H14 H 0.2547 0.1727 0.3458 0.060 Uiso 1 1 calc R . .
C15 C 0.2377(5) 0.1047(3) 0.3874(3) 0.055(2) Uani 1 1 d . . .
H15 H 0.2247 0.1230 0.4170 0.066 Uiso 1 1 calc R . .
C16 C 0.2385(5) 0.0473(3) 0.3865(3) 0.0471(19) Uani 1 1 d . . .
H16 H 0.2240 0.0274 0.4146 0.057 Uiso 1 1 calc R . .
C29 C 0.1831(5) -0.1522(3) 0.1144(3) 0.0423(18) Uani 1 1 d . . .
C30 C 0.1936(6) -0.1610(5) 0.0622(4) 0.089(4) Uani 1 1 d . . .
H30 H 0.2495 -0.1647 0.0578 0.107 Uiso 1 1 calc R . .
C31 C 0.1225(7) -0.1643(6) 0.0166(4) 0.107(4) Uani 1 1 d . . .
H31 H 0.1311 -0.1707 -0.0184 0.128 Uiso 1 1 calc R . .
C32 C 0.0399(7) -0.1587(4) 0.0205(4) 0.080(3) Uani 1 1 d . . .
H32 H -0.0075 -0.1609 -0.0113 0.097 Uiso 1 1 calc R . .
C33 C 0.0277(6) -0.1500(5) 0.0708(4) 0.088(3) Uani 1 1 d . . .
H33 H -0.0287 -0.1463 0.0743 0.106 Uiso 1 1 calc R . .
C34 C 0.1005(6) -0.1465(4) 0.1188(4) 0.080(3) Uani 1 1 d . . .
H34 H 0.0916 -0.1402 0.1537 0.097 Uiso 1 1 calc R . .
C35 C 0.3678(4) -0.1369(3) 0.1486(3) 0.0460(19) Uani 1 1 d . . .
C36 C 0.3813(5) -0.0819(4) 0.1400(3) 0.056(2) Uani 1 1 d . . .
H36 H 0.3482 -0.0553 0.1518 0.067 Uiso 1 1 calc R . .
C37 C 0.4440(7) -0.0658(5) 0.1139(4) 0.087(3) Uani 1 1 d . . .
H37 H 0.4527 -0.0284 0.1086 0.105 Uiso 1 1 calc R . .
C38 C 0.4931(6) -0.1038(6) 0.0958(4) 0.092(4) Uani 1 1 d . . .
H38 H 0.5353 -0.0928 0.0786 0.110 Uiso 1 1 calc R . .
C39 C 0.4787(7) -0.1586(6) 0.1035(4) 0.096(4) Uani 1 1 d . . .
H39 H 0.5115 -0.1848 0.0909 0.116 Uiso 1 1 calc R . .
C40 C 0.4166(6) -0.1761(4) 0.1295(4) 0.067(3) Uani 1 1 d . . .
H40 H 0.4078 -0.2135 0.1341 0.081 Uiso 1 1 calc R . .
C41 C 0.2878(5) -0.2287(3) 0.1918(3) 0.0402(17) Uani 1 1 d . . .
C42 C 0.2170(5) -0.2636(3) 0.1768(3) 0.055(2) Uani 1 1 d . . .
H42 H 0.1625 -0.2499 0.1572 0.066 Uiso 1 1 calc R . .
C43 C 0.2267(6) -0.3196(4) 0.1908(4) 0.070(3) Uani 1 1 d . . .
H43 H 0.1782 -0.3427 0.1808 0.084 Uiso 1 1 calc R . .
C44 C 0.3060(6) -0.3408(3) 0.2189(4) 0.065(2) Uani 1 1 d . . .
H44 H 0.3119 -0.3783 0.2272 0.078 Uiso 1 1 calc R . .
C45 C 0.3771(6) -0.3067(3) 0.2349(3) 0.059(2) Uani 1 1 d . . .
H45 H 0.4311 -0.3208 0.2547 0.070 Uiso 1 1 calc R . .
C46 C 0.3688(5) -0.2512(3) 0.2217(3) 0.0465(19) Uani 1 1 d . . .
H46 H 0.4175 -0.2283 0.2328 0.056 Uiso 1 1 calc R . .
C10 C 0.1459(6) -0.2499(3) 0.3094(4) 0.073(3) Uani 1 1 d . . .
H10A H 0.1091 -0.2366 0.3314 0.088 Uiso 1 1 calc R . .
H10B H 0.1810 -0.2799 0.3288 0.088 Uiso 1 1 calc R . .
H10C H 0.1102 -0.2626 0.2737 0.088 Uiso 1 1 calc R . .
C9 C 0.2049(5) -0.2037(3) 0.3006(3) 0.0393(17) Uani 1 1 d . . .
C8 C 0.2998(4) -0.2059(3) 0.3239(3) 0.0369(16) Uani 1 1 d . . .
C7 C 0.3500(6) -0.2444(3) 0.3598(3) 0.052(2) Uani 1 1 d . . .
H7 H 0.3236 -0.2740 0.3725 0.062 Uiso 1 1 calc R . .
C6 C 0.4390(6) -0.2385(3) 0.3766(3) 0.056(2) Uani 1 1 d . . .
H6 H 0.4728 -0.2644 0.4007 0.067 Uiso 1 1 calc R . .
C5 C 0.4797(5) -0.1947(3) 0.3584(3) 0.0456(19) Uani 1 1 d . . .
H5 H 0.5403 -0.1913 0.3695 0.055 Uiso 1 1 calc R . .
C4 C 0.4280(4) -0.1560(3) 0.3232(3) 0.0327(15) Uani 1 1 d . . .
C3 C 0.4566(4) -0.1065(3) 0.3003(3) 0.0383(16) Uani 1 1 d . . .
C2 C 0.5503(5) -0.0917(4) 0.3110(4) 0.063(2) Uani 1 1 d . . .
H2A H 0.5634 -0.0864 0.2758 0.076 Uiso 1 1 calc R . .
H2B H 0.5860 -0.1208 0.3315 0.076 Uiso 1 1 calc R . .
H2C H 0.5619 -0.0582 0.3324 0.076 Uiso 1 1 calc R . .
C1 C 0.2041(5) -0.0471(3) 0.2122(3) 0.0405(17) Uani 1 1 d . . .
C63 C 0.1717(4) 0.4058(3) 0.3526(3) 0.0310(15) Uani 1 1 d . . .
C64 C 0.0907(4) 0.4284(3) 0.3256(3) 0.0435(18) Uani 1 1 d . . .
H64 H 0.0874 0.4566 0.2997 0.052 Uiso 1 1 calc R . .
C65 C 0.0159(5) 0.4099(3) 0.3361(3) 0.052(2) Uani 1 1 d . . .
H65 H -0.0376 0.4258 0.3178 0.063 Uiso 1 1 calc R . .
C66 C 0.0194(5) 0.3681(4) 0.3736(4) 0.063(2) Uani 1 1 d . . .
H66 H -0.0317 0.3551 0.3803 0.075 Uiso 1 1 calc R . .
C67 C 0.0977(6) 0.3456(4) 0.4011(4) 0.082(3) Uani 1 1 d . . .
H67 H 0.0996 0.3171 0.4265 0.099 Uiso 1 1 calc R . .
C68 C 0.1759(5) 0.3645(3) 0.3918(4) 0.061(2) Uani 1 1 d . . .
H68 H 0.2295 0.3496 0.4116 0.073 Uiso 1 1 calc R . .
C69 C 0.3664(4) 0.4064(3) 0.3798(3) 0.0342(16) Uani 1 1 d . . .
C70 C 0.4352(5) 0.4416(4) 0.4019(3) 0.053(2) Uani 1 1 d . . .
H70 H 0.4281 0.4793 0.3954 0.064 Uiso 1 1 calc R . .
C71 C 0.5159(6) 0.4211(5) 0.4343(4) 0.074(3) Uani 1 1 d . . .
H71 H 0.5622 0.4450 0.4491 0.089 Uiso 1 1 calc R . .
C72 C 0.5258(6) 0.3656(5) 0.4439(4) 0.080(3) Uani 1 1 d . . .
H72 H 0.5792 0.3520 0.4653 0.096 Uiso 1 1 calc R . .
C73 C 0.4566(6) 0.3289(4) 0.4219(4) 0.069(3) Uani 1 1 d . . .
H73 H 0.4633 0.2912 0.4290 0.083 Uiso 1 1 calc R . .
C74 C 0.3788(5) 0.3500(3) 0.3897(3) 0.0429(18) Uani 1 1 d . . .
H74 H 0.3330 0.3259 0.3740 0.051 Uiso 1 1 calc R . .
C57 C 0.2669(4) 0.5052(3) 0.3604(3) 0.0329(15) Uani 1 1 d . . .
C58 C 0.2522(5) 0.5144(3) 0.4128(3) 0.0461(18) Uani 1 1 d . . .
H58 H 0.2367 0.4850 0.4322 0.055 Uiso 1 1 calc R . .
C59 C 0.2605(5) 0.5662(3) 0.4359(3) 0.057(2) Uani 1 1 d . . .
H59 H 0.2523 0.5713 0.4712 0.069 Uiso 1 1 calc R . .
C60 C 0.2805(5) 0.6105(3) 0.4078(4) 0.057(2) Uani 1 1 d . . .
H60 H 0.2841 0.6458 0.4230 0.069 Uiso 1 1 calc R . .
C61 C 0.2951(5) 0.6016(3) 0.3566(3) 0.0466(19) Uani 1 1 d . . .
H61 H 0.3094 0.6313 0.3371 0.056 Uiso 1 1 calc R . .
C62 C 0.2890(4) 0.5493(3) 0.3332(3) 0.0383(17) Uani 1 1 d . . .
H62 H 0.3001 0.5443 0.2986 0.046 Uiso 1 1 calc R . .
C81 C 0.3441(4) 0.3763(3) 0.1310(3) 0.0348(16) Uani 1 1 d . . .
C82 C 0.3540(5) 0.3197(3) 0.1372(3) 0.0451(18) Uani 1 1 d . . .
H82 H 0.3081 0.2985 0.1422 0.054 Uiso 1 1 calc R . .
C83 C 0.4318(5) 0.2945(4) 0.1360(3) 0.054(2) Uani 1 1 d . . .
H83 H 0.4369 0.2563 0.1384 0.065 Uiso 1 1 calc R . .
C84 C 0.5018(5) 0.3262(4) 0.1311(3) 0.064(3) Uani 1 1 d . . .
H84 H 0.5545 0.3097 0.1310 0.077 Uiso 1 1 calc R . .
C85 C 0.4922(5) 0.3821(4) 0.1265(3) 0.059(2) Uani 1 1 d . . .
H85 H 0.5390 0.4036 0.1235 0.071 Uiso 1 1 calc R . .
C86 C 0.4151(5) 0.4072(3) 0.1263(3) 0.050(2) Uani 1 1 d . . .
H86 H 0.4102 0.4453 0.1229 0.060 Uiso 1 1 calc R . .
C75 C 0.2436(5) 0.4743(3) 0.0958(3) 0.0420(17) Uani 1 1 d . . .
C76 C 0.2168(7) 0.4695(4) 0.0373(3) 0.076(3) Uani 1 1 d . . .
H76 H 0.1984 0.4359 0.0199 0.092 Uiso 1 1 calc R . .
C77 C 0.2191(9) 0.5176(5) 0.0057(4) 0.110(4) Uani 1 1 d . . .
H77 H 0.2021 0.5149 -0.0333 0.132 Uiso 1 1 calc R . .
C78 C 0.2448(7) 0.5679(4) 0.0293(4) 0.088(3) Uani 1 1 d . . .
H78 H 0.2458 0.5987 0.0071 0.105 Uiso 1 1 calc R . .
C79 C 0.2690(6) 0.5717(4) 0.0867(4) 0.069(3) Uani 1 1 d . . .
H79 H 0.2854 0.6057 0.1038 0.083 Uiso 1 1 calc R . .
C80 C 0.2693(5) 0.5250(3) 0.1198(3) 0.0502(19) Uani 1 1 d . . .
H80 H 0.2871 0.5281 0.1587 0.060 Uiso 1 1 calc R . .
C87 C 0.1511(4) 0.3749(3) 0.0976(3) 0.0423(17) Uani 1 1 d . . .
C88 C 0.0705(5) 0.3962(4) 0.0972(3) 0.066(3) Uani 1 1 d . . .
H88 H 0.0688 0.4283 0.1174 0.079 Uiso 1 1 calc R . .
C89 C -0.0064(6) 0.3727(6) 0.0687(4) 0.093(4) Uani 1 1 d . . .
H89 H -0.0592 0.3896 0.0678 0.112 Uiso 1 1 calc R . .
C90 C -0.0055(7) 0.3240(6) 0.0415(5) 0.098(4) Uani 1 1 d . . .
H90 H -0.0579 0.3065 0.0238 0.118 Uiso 1 1 calc R . .
C91 C 0.0722(8) 0.3006(5) 0.0400(4) 0.098(4) Uani 1 1 d . . .
H91 H 0.0725 0.2675 0.0212 0.117 Uiso 1 1 calc R . .
C92 C 0.1518(6) 0.3271(4) 0.0672(4) 0.071(3) Uani 1 1 d . . .
H92 H 0.2045 0.3124 0.0646 0.085 Uiso 1 1 calc R . .
C56 C 0.1505(5) 0.2562(3) 0.2437(4) 0.056(2) Uani 1 1 d . . .
H56A H 0.1500 0.2486 0.2816 0.068 Uiso 1 1 calc R . .
H56B H 0.1773 0.2260 0.2297 0.068 Uiso 1 1 calc R . .
H56C H 0.0916 0.2609 0.2207 0.068 Uiso 1 1 calc R . .
C55 C 0.2017(4) 0.3081(3) 0.2424(3) 0.0340(16) Uani 1 1 d . . .
C54 C 0.2970(4) 0.3070(3) 0.2555(3) 0.0327(15) Uani 1 1 d . . .
C53 C 0.3516(5) 0.2614(3) 0.2685(3) 0.0419(18) Uani 1 1 d . . .
H53 H 0.3283 0.2262 0.2682 0.050 Uiso 1 1 calc R . .
C52 C 0.4412(5) 0.2690(3) 0.2818(3) 0.0484(19) Uani 1 1 d . . .
H52 H 0.4786 0.2389 0.2918 0.058 Uiso 1 1 calc R . .
C51 C 0.4751(4) 0.3211(3) 0.2803(3) 0.0401(17) Uani 1 1 d . . .
H51 H 0.5353 0.3261 0.2886 0.048 Uiso 1 1 calc R . .
C50 C 0.4193(4) 0.3661(3) 0.2664(2) 0.0297(14) Uani 1 1 d . . .
C49 C 0.4423(4) 0.4232(3) 0.2623(3) 0.0299(14) Uani 1 1 d . . .
C48 C 0.5353(4) 0.4422(3) 0.2724(3) 0.050(2) Uani 1 1 d . . .
H48A H 0.5382 0.4696 0.2450 0.060 Uiso 1 1 calc R . .
H48B H 0.5715 0.4114 0.2693 0.060 Uiso 1 1 calc R . .
H48C H 0.5555 0.4578 0.3093 0.060 Uiso 1 1 calc R . .
C47 C 0.1817(4) 0.4870(3) 0.2183(3) 0.0349(16) Uani 1 1 d . . .
O1W O 0.9732(3) 0.4451(2) 0.1922(2) 0.0580(14) Uani 1 1 d . . .
O2W O 0.4970(3) 0.5734(2) 0.1983(2) 0.0626(15) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C1 Ru1 N2 177.9(3) . . ?
C1 Ru1 N1 99.9(3) . . ?
N2 Ru1 N1 78.3(2) . . ?
C1 Ru1 N3 105.8(3) . . ?
N2 Ru1 N3 76.0(2) . . ?
N1 Ru1 N3 154.4(2) . . ?
C1 Ru1 P2 90.0(2) . . ?
N2 Ru1 P2 89.02(15) . . ?
N1 Ru1 P2 91.22(14) . . ?
N3 Ru1 P2 88.44(15) . . ?
C1 Ru1 P1 93.9(2) . . ?
N2 Ru1 P1 87.04(15) . . ?
N1 Ru1 P1 86.39(14) . . ?
N3 Ru1 P1 92.19(15) . . ?
P2 Ru1 P1 175.74(6) . . ?
C47 Ru2 N5 178.7(3) . . ?
C47 Ru2 N4 100.9(2) . . ?
N5 Ru2 N4 77.90(19) . . ?
C47 Ru2 N6 105.4(2) . . ?
N5 Ru2 N6 75.86(19) . . ?
N4 Ru2 N6 153.8(2) . . ?
C47 Ru2 P3 90.6(2) . . ?
N5 Ru2 P3 89.11(14) . . ?
N4 Ru2 P3 89.22(14) . . ?
N6 Ru2 P3 89.89(14) . . ?
C47 Ru2 P4 90.6(2) . . ?
N5 Ru2 P4 89.72(14) . . ?
N4 Ru2 P4 89.23(14) . . ?
N6 Ru2 P4 91.12(15) . . ?
P3 Ru2 P4 178.22(6) . . ?
C23 P1 C17 106.3(3) . . ?
C23 P1 C11 101.7(3) . . ?
C17 P1 C11 101.2(3) . . ?
C23 P1 Ru1 112.5(2) . . ?
C17 P1 Ru1 115.3(2) . . ?
C11 P1 Ru1 118.2(2) . . ?
C41 P2 C35 105.5(3) . . ?
C41 P2 C29 102.3(3) . . ?
C35 P2 C29 102.1(3) . . ?
C41 P2 Ru1 111.1(2) . . ?
C35 P2 Ru1 115.9(2) . . ?
C29 P2 Ru1 118.3(2) . . ?
C63 P3 C57 101.6(3) . . ?
C63 P3 C69 109.6(3) . . ?
C57 P3 C69 101.8(3) . . ?
C63 P3 Ru2 112.2(2) . . ?
C57 P3 Ru2 117.3(2) . . ?
C69 P3 Ru2 113.2(2) . . ?
C87 P4 C81 108.4(3) . . ?
C87 P4 C75 102.1(3) . . ?
C81 P4 C75 103.3(3) . . ?
C87 P4 Ru2 114.0(2) . . ?
C81 P4 Ru2 110.3(2) . . ?
C75 P4 Ru2 117.8(2) . . ?
F1 P5 F4 91.3(4) . . ?
F1 P5 F3 177.9(4) . . ?
F4 P5 F3 88.1(4) . . ?
F1 P5 F5 89.2(4) . . ?
F4 P5 F5 90.3(4) . . ?
F3 P5 F5 88.7(4) . . ?
F1 P5 F2 91.1(4) . . ?
F4 P5 F2 89.5(4) . . ?
F3 P5 F2 91.0(4) . . ?
F5 P5 F2 179.7(4) . . ?
F1 P5 F6 87.6(4) . . ?
F4 P5 F6 178.6(4) . . ?
F3 P5 F6 93.0(4) . . ?
F5 P5 F6 90.6(4) . . ?
F2 P5 F6 89.6(4) . . ?
F9 P6 F11 176.8(7) . . ?
F9 P6 F10 98.4(8) . . ?
F11 P6 F10 81.1(7) . . ?
F9 P6 F12 88.3(7) . . ?
F11 P6 F12 88.4(6) . . ?
F10 P6 F12 84.4(5) . . ?
F9 P6 F7 85.3(7) . . ?
F11 P6 F7 95.4(7) . . ?
F10 P6 F7 176.2(7) . . ?
F12 P6 F7 96.7(5) . . ?
F9 P6 F8 94.3(7) . . ?
F11 P6 F8 88.9(7) . . ?
F10 P6 F8 94.3(5) . . ?
F12 P6 F8 177.2(6) . . ?
F7 P6 F8 84.5(4) . . ?
C9 N3 O3 112.1(5) . . ?
C9 N3 Ru1 116.3(4) . . ?
O3 N3 Ru1 131.5(4) . . ?
C4 N2 C8 123.1(6) . . ?
C4 N2 Ru1 117.4(4) . . ?
C8 N2 Ru1 119.5(4) . . ?
O2 N1 C3 119.2(5) . . ?
O2 N1 Ru1 126.2(4) . . ?
C3 N1 Ru1 114.6(4) . . ?
C55 N6 O6 111.7(5) . . ?
C55 N6 Ru2 116.8(4) . . ?
O6 N6 Ru2 131.5(4) . . ?
C54 N5 C50 123.3(5) . . ?
C54 N5 Ru2 119.3(4) . . ?
C50 N5 Ru2 117.3(4) . . ?
O5 N4 C49 119.9(5) . . ?
O5 N4 Ru2 125.7(4) . . ?
C49 N4 Ru2 114.3(4) . . ?
N3 O3 H1 109.5 . . ?
N6 O6 H1A 109.5 . . ?
C18 C17 C22 118.1(6) . . ?
C18 C17 P1 116.7(5) . . ?
C22 C17 P1 124.8(5) . . ?
C17 C18 C19 121.0(7) . . ?
C17 C18 H18A 119.5 . . ?
C19 C18 H18A 119.5 . . ?
C20 C19 C18 120.0(7) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 119.8(7) . . ?
C19 C20 H20A 120.1 . . ?
C21 C20 H20A 120.1 . . ?
C22 C21 C20 120.1(8) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C17 120.8(7) . . ?
C21 C22 H22 119.6 . . ?
C17 C22 H22 119.6 . . ?
C24 C23 C28 118.6(7) . . ?
C24 C23 P1 119.2(5) . . ?
C28 C23 P1 122.0(5) . . ?
C23 C24 C25 118.3(9) . . ?
C23 C24 H24 120.9 . . ?
C25 C24 H24 120.9 . . ?
C26 C25 C24 123.0(10) . . ?
C26 C25 H25 118.5 . . ?
C24 C25 H25 118.5 . . ?
C25 C26 C27 118.5(9) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C26 C27 C28 122.0(9) . . ?
C26 C27 H27 119.0 . . ?
C28 C27 H27 119.0 . . ?
C27 C28 C23 119.6(8) . . ?
C27 C28 H28 120.2 . . ?
C23 C28 H28 120.2 . . ?
C16 C11 C12 118.9(6) . . ?
C16 C11 P1 119.4(5) . . ?
C12 C11 P1 121.7(5) . . ?
C13 C12 C11 120.6(7) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C12 119.8(7) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 120.5(7) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C16 120.5(7) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 119.7(7) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C34 C29 C30 117.9(8) . . ?
C34 C29 P2 121.0(6) . . ?
C30 C29 P2 120.9(6) . . ?
C31 C30 C29 120.2(9) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C32 C31 C30 122.4(9) . . ?
C32 C31 H31 118.8 . . ?
C30 C31 H31 118.8 . . ?
C33 C32 C31 118.8(9) . . ?
C33 C32 H32 120.6 . . ?
C31 C32 H32 120.6 . . ?
C32 C33 C34 119.9(9) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C29 C34 C33 120.8(9) . . ?
C29 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
C36 C35 C40 118.9(7) . . ?
C36 C35 P2 117.5(6) . . ?
C40 C35 P2 123.1(7) . . ?
C35 C36 C37 120.4(9) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C38 C37 C36 121.1(10) . . ?
C38 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
C37 C38 C39 118.5(9) . . ?
C37 C38 H38 120.8 . . ?
C39 C38 H38 120.8 . . ?
C38 C39 C40 121.9(10) . . ?
C38 C39 H39 119.0 . . ?
C40 C39 H39 119.0 . . ?
C39 C40 C35 119.1(10) . . ?
C39 C40 H40 120.4 . . ?
C35 C40 H40 120.4 . . ?
C42 C41 C46 117.8(7) . . ?
C42 C41 P2 121.5(6) . . ?
C46 C41 P2 120.6(6) . . ?
C41 C42 C43 120.3(8) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C44 C43 C42 121.0(8) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C43 C44 C45 119.6(8) . . ?
C43 C44 H44 120.2 . . ?
C45 C44 H44 120.2 . . ?
C44 C45 C46 120.2(8) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C41 121.0(7) . . ?
C45 C46 H46 119.5 . . ?
C41 C46 H46 119.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C9 C8 115.8(6) . . ?
N3 C9 C10 122.2(7) . . ?
C8 C9 C10 122.0(7) . . ?
N2 C8 C7 118.6(7) . . ?
N2 C8 C9 112.4(6) . . ?
C7 C8 C9 129.0(7) . . ?
C6 C7 C8 119.3(7) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C7 C6 C5 121.3(7) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C5 C4 118.3(7) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
N2 C4 C5 119.2(6) . . ?
N2 C4 C3 113.3(6) . . ?
C5 C4 C3 127.5(6) . . ?
N1 C3 C4 116.2(6) . . ?
N1 C3 C2 121.0(7) . . ?
C4 C3 C2 122.7(7) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O1 C1 Ru1 176.6(7) . . ?
C68 C63 C64 118.7(6) . . ?
C68 C63 P3 125.2(5) . . ?
C64 C63 P3 116.0(5) . . ?
C65 C64 C63 121.4(7) . . ?
C65 C64 H64 119.3 . . ?
C63 C64 H64 119.3 . . ?
C64 C65 C66 120.1(7) . . ?
C64 C65 H65 119.9 . . ?
C66 C65 H65 119.9 . . ?
C67 C66 C65 119.9(7) . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C66 C67 C68 121.1(8) . . ?
C66 C67 H67 119.4 . . ?
C68 C67 H67 119.4 . . ?
C63 C68 C67 118.7(7) . . ?
C63 C68 H68 120.7 . . ?
C67 C68 H68 120.7 . . ?
C70 C69 C74 118.7(7) . . ?
C70 C69 P3 118.7(6) . . ?
C74 C69 P3 122.4(5) . . ?
C69 C70 C71 120.6(8) . . ?
C69 C70 H70 119.7 . . ?
C71 C70 H70 119.7 . . ?
C72 C71 C70 119.4(9) . . ?
C72 C71 H71 120.3 . . ?
C70 C71 H71 120.3 . . ?
C71 C72 C73 121.2(8) . . ?
C71 C72 H72 119.4 . . ?
C73 C72 H72 119.4 . . ?
C74 C73 C72 118.2(9) . . ?
C74 C73 H73 120.9 . . ?
C72 C73 H73 120.9 . . ?
C73 C74 C69 121.9(8) . . ?
C73 C74 H74 119.0 . . ?
C69 C74 H74 119.0 . . ?
C62 C57 C58 117.9(6) . . ?
C62 C57 P3 122.3(5) . . ?
C58 C57 P3 119.5(5) . . ?
C59 C58 C57 120.7(7) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C60 C59 C58 121.1(7) . . ?
C60 C59 H59 119.5 . . ?
C58 C59 H59 119.5 . . ?
C59 C60 C61 118.3(7) . . ?
C59 C60 H60 120.9 . . ?
C61 C60 H60 120.9 . . ?
C60 C61 C62 121.5(7) . . ?
C60 C61 H61 119.3 . . ?
C62 C61 H61 119.3 . . ?
C57 C62 C61 120.5(6) . . ?
C57 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C82 C81 C86 118.4(7) . . ?
C82 C81 P4 122.4(5) . . ?
C86 C81 P4 118.8(6) . . ?
C81 C82 C83 120.5(7) . . ?
C81 C82 H82 119.7 . . ?
C83 C82 H82 119.7 . . ?
C84 C83 C82 120.0(8) . . ?
C84 C83 H83 120.0 . . ?
C82 C83 H83 120.0 . . ?
C85 C84 C83 118.9(8) . . ?
C85 C84 H84 120.5 . . ?
C83 C84 H84 120.5 . . ?
C84 C85 C86 121.5(8) . . ?
C84 C85 H85 119.3 . . ?
C86 C85 H85 119.3 . . ?
C85 C86 C81 120.6(8) . . ?
C85 C86 H86 119.7 . . ?
C81 C86 H86 119.7 . . ?
C80 C75 C76 119.5(7) . . ?
C80 C75 P4 122.0(6) . . ?
C76 C75 P4 118.5(6) . . ?
C75 C76 C77 117.3(8) . . ?
C75 C76 H76 121.4 . . ?
C77 C76 H76 121.4 . . ?
C78 C77 C76 123.5(9) . . ?
C78 C77 H77 118.3 . . ?
C76 C77 H77 118.3 . . ?
C77 C78 C79 118.0(9) . . ?
C77 C78 H78 121.0 . . ?
C79 C78 H78 121.0 . . ?
C78 C79 C80 120.6(9) . . ?
C78 C79 H79 119.7 . . ?
C80 C79 H79 119.7 . . ?
C75 C80 C79 121.1(8) . . ?
C75 C80 H80 119.5 . . ?
C79 C80 H80 119.4 . . ?
C88 C87 C92 117.2(7) . . ?
C88 C87 P4 117.0(6) . . ?
C92 C87 P4 125.8(6) . . ?
C89 C88 C87 123.3(9) . . ?
C89 C88 H88 118.4 . . ?
C87 C88 H88 118.4 . . ?
C88 C89 C90 119.4(10) . . ?
C88 C89 H89 120.3 . . ?
C90 C89 H89 120.3 . . ?
C89 C90 C91 120.4(10) . . ?
C89 C90 H90 119.8 . . ?
C91 C90 H90 119.8 . . ?
C90 C91 C92 119.7(10) . . ?
C90 C91 H91 120.2 . . ?
C92 C91 H91 120.2 . . ?
C87 C92 C91 119.9(9) . . ?
C87 C92 H92 120.1 . . ?
C91 C92 H92 120.1 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N6 C55 C54 114.8(6) . . ?
N6 C55 C56 124.2(6) . . ?
C54 C55 C56 121.0(6) . . ?
N5 C54 C53 119.1(6) . . ?
N5 C54 C55 113.2(5) . . ?
C53 C54 C55 127.7(6) . . ?
C52 C53 C54 119.1(6) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
C51 C52 C53 120.0(6) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C51 C50 119.9(6) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
N5 C50 C51 118.4(6) . . ?
N5 C50 C49 113.7(5) . . ?
C51 C50 C49 128.0(6) . . ?
N4 C49 C50 116.8(5) . . ?
N4 C49 C48 120.6(6) . . ?
C50 C49 C48 122.6(6) . . ?
C49 C48 H48A 109.5 . . ?
C49 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C49 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O4 C47 Ru2 178.7(6) . . ?
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 C1 1.898(8) . ?
Ru1 N2 2.010(5) . ?
Ru1 N1 2.063(5) . ?
Ru1 N3 2.117(5) . ?
Ru1 P2 2.4225(18) . ?
Ru1 P1 2.4317(17) . ?
Ru2 C47 1.891(7) . ?
Ru2 N5 2.015(5) . ?
Ru2 N4 2.086(5) . ?
Ru2 N6 2.111(5) . ?
Ru2 P3 2.4064(17) . ?
Ru2 P4 2.4132(17) . ?
P1 C23 1.827(7) . ?
P1 C17 1.828(6) . ?
P1 C11 1.835(7) . ?
P2 C41 1.829(7) . ?
P2 C35 1.832(7) . ?
P2 C29 1.832(7) . ?
P3 C63 1.819(6) . ?
P3 C57 1.826(6) . ?
P3 C69 1.831(6) . ?
P4 C87 1.815(7) . ?
P4 C81 1.826(6) . ?
P4 C75 1.826(7) . ?
P5 F1 1.547(7) . ?
P5 F4 1.562(6) . ?
P5 F3 1.569(6) . ?
P5 F5 1.569(6) . ?
P5 F2 1.575(6) . ?
P5 F6 1.581(6) . ?
P6 F9 1.440(9) . ?
P6 F11 1.456(9) . ?
P6 F10 1.499(7) . ?
P6 F12 1.519(7) . ?
P6 F7 1.522(7) . ?
P6 F8 1.534(7) . ?
N3 C9 1.296(8) . ?
N3 O3 1.377(6) . ?
N2 C4 1.346(8) . ?
N2 C8 1.357(8) . ?
N1 O2 1.294(6) . ?
N1 C3 1.329(8) . ?
N6 C55 1.303(8) . ?
N6 O6 1.371(6) . ?
N5 C54 1.347(8) . ?
N5 C50 1.348(7) . ?
N4 O5 1.300(6) . ?
N4 C49 1.318(8) . ?
O3 H1 0.8200 . ?
O1 C1 1.145(8) . ?
O6 H1A 0.8200 . ?
O4 C47 1.136(7) . ?
C17 C18 1.371(9) . ?
C17 C22 1.407(9) . ?
C18 C19 1.391(9) . ?
C18 H18A 0.9300 . ?
C19 C20 1.371(11) . ?
C19 H19 0.9300 . ?
C20 C21 1.382(11) . ?
C20 H20A 0.9300 . ?
C21 C22 1.368(10) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.391(10) . ?
C23 C28 1.397(9) . ?
C24 C25 1.404(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.330(13) . ?
C25 H25 0.9300 . ?
C26 C27 1.358(13) . ?
C26 H26 0.9300 . ?
C27 C28 1.381(10) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C11 C16 1.383(9) . ?
C11 C12 1.394(9) . ?
C12 C13 1.386(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.361(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.372(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.391(10) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C29 C34 1.357(11) . ?
C29 C30 1.368(11) . ?
C30 C31 1.361(12) . ?
C30 H30 0.9300 . ?
C31 C32 1.352(13) . ?
C31 H31 0.9300 . ?
C32 C33 1.331(13) . ?
C32 H32 0.9300 . ?
C33 C34 1.414(12) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.378(11) . ?
C35 C40 1.392(11) . ?
C36 C37 1.390(11) . ?
C36 H36 0.9300 . ?
C37 C38 1.362(14) . ?
C37 H37 0.9300 . ?
C38 C39 1.371(15) . ?
C38 H38 0.9300 . ?
C39 C40 1.388(13) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.375(10) . ?
C41 C46 1.405(9) . ?
C42 C43 1.401(11) . ?
C42 H42 0.9300 . ?
C43 C44 1.362(12) . ?
C43 H43 0.9300 . ?
C44 C45 1.369(11) . ?
C44 H44 0.9300 . ?
C45 C46 1.383(10) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C10 C9 1.517(9) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C9 C8 1.461(9) . ?
C8 C7 1.380(10) . ?
C7 C6 1.368(11) . ?
C7 H7 0.9300 . ?
C6 C5 1.385(10) . ?
C6 H6 0.9300 . ?
C5 C4 1.386(9) . ?
C5 H5 0.9300 . ?
C4 C3 1.452(9) . ?
C3 C2 1.485(9) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C63 C68 1.384(9) . ?
C63 C64 1.390(9) . ?
C64 C65 1.363(9) . ?
C64 H64 0.9300 . ?
C65 C66 1.365(11) . ?
C65 H65 0.9300 . ?
C66 C67 1.358(11) . ?
C66 H66 0.9300 . ?
C67 C68 1.405(11) . ?
C67 H67 0.9300 . ?
C68 H68 0.9300 . ?
C69 C70 1.376(10) . ?
C69 C74 1.395(9) . ?
C70 C71 1.403(11) . ?
C70 H70 0.9300 . ?
C71 C72 1.367(13) . ?
C71 H71 0.9300 . ?
C72 C73 1.403(13) . ?
C72 H72 0.9300 . ?
C73 C74 1.373(10) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C57 C62 1.361(9) . ?
C57 C58 1.402(9) . ?
C58 C59 1.373(10) . ?
C58 H58 0.9300 . ?
C59 C60 1.365(11) . ?
C59 H59 0.9300 . ?
C60 C61 1.371(10) . ?
C60 H60 0.9300 . ?
C61 C62 1.387(9) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C81 C82 1.383(10) . ?
C81 C86 1.388(9) . ?
C82 C83 1.390(10) . ?
C82 H82 0.9300 . ?
C83 C84 1.388(11) . ?
C83 H83 0.9300 . ?
C84 C85 1.364(12) . ?
C84 H84 0.9300 . ?
C85 C86 1.368(10) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C75 C80 1.377(10) . ?
C75 C76 1.399(10) . ?
C76 C77 1.413(13) . ?
C76 H76 0.9300 . ?
C77 C78 1.366(13) . ?
C77 H77 0.9300 . ?
C78 C79 1.372(12) . ?
C78 H78 0.9300 . ?
C79 C80 1.399(10) . ?
C79 H79 0.9300 . ?
C80 H80 0.9300 . ?
C87 C88 1.381(10) . ?
C87 C92 1.386(11) . ?
C88 C89 1.357(12) . ?
C88 H88 0.9300 . ?
C89 C90 1.362(15) . ?
C89 H89 0.9300 . ?
C90 C91 1.370(15) . ?
C90 H90 0.9300 . ?
C91 C92 1.413(12) . ?
C91 H91 0.9300 . ?
C92 H92 0.9300 . ?
C56 C55 1.504(9) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C55 C54 1.461(9) . ?
C54 C53 1.387(9) . ?
C53 C52 1.385(10) . ?
C53 H53 0.9300 . ?
C52 C51 1.378(9) . ?
C52 H52 0.9300 . ?
C51 C50 1.390(9) . ?
C51 H51 0.9300 . ?
C50 C49 1.443(9) . ?
C49 C48 1.503(8) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 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
C1 Ru1 P1 C23 -144.2(3) . . . . ?
N2 Ru1 P1 C23 34.0(3) . . . . ?
N1 Ru1 P1 C23 -44.5(3) . . . . ?
N3 Ru1 P1 C23 109.9(3) . . . . ?
P2 Ru1 P1 C23 11.4(9) . . . . ?
C1 Ru1 P1 C17 93.7(3) . . . . ?
N2 Ru1 P1 C17 -88.2(3) . . . . ?
N1 Ru1 P1 C17 -166.7(3) . . . . ?
N3 Ru1 P1 C17 -12.3(3) . . . . ?
P2 Ru1 P1 C17 -110.7(9) . . . . ?
C1 Ru1 P1 C11 -26.0(3) . . . . ?
N2 Ru1 P1 C11 152.1(3) . . . . ?
N1 Ru1 P1 C11 73.6(3) . . . . ?
N3 Ru1 P1 C11 -132.0(3) . . . . ?
P2 Ru1 P1 C11 129.6(9) . . . . ?
C1 Ru1 P2 C41 -153.2(3) . . . . ?
N2 Ru1 P2 C41 28.6(3) . . . . ?
N1 Ru1 P2 C41 107.0(3) . . . . ?
N3 Ru1 P2 C41 -47.4(3) . . . . ?
P1 Ru1 P2 C41 51.1(9) . . . . ?
C1 Ru1 P2 C35 86.4(4) . . . . ?
N2 Ru1 P2 C35 -91.7(3) . . . . ?
N1 Ru1 P2 C35 -13.4(3) . . . . ?
N3 Ru1 P2 C35 -167.8(3) . . . . ?
P1 Ru1 P2 C35 -69.2(9) . . . . ?
C1 Ru1 P2 C29 -35.3(3) . . . . ?
N2 Ru1 P2 C29 146.5(3) . . . . ?
N1 Ru1 P2 C29 -135.1(3) . . . . ?
N3 Ru1 P2 C29 70.5(3) . . . . ?
P1 Ru1 P2 C29 169.1(8) . . . . ?
C47 Ru2 P3 C63 82.7(3) . . . . ?
N5 Ru2 P3 C63 -98.5(3) . . . . ?
N4 Ru2 P3 C63 -176.4(3) . . . . ?
N6 Ru2 P3 C63 -22.7(3) . . . . ?
P4 Ru2 P3 C63 -147(2) . . . . ?
C47 Ru2 P3 C57 -34.4(3) . . . . ?
N5 Ru2 P3 C57 144.4(3) . . . . ?
N4 Ru2 P3 C57 66.5(3) . . . . ?
N6 Ru2 P3 C57 -139.7(3) . . . . ?
P4 Ru2 P3 C57 96(2) . . . . ?
C47 Ru2 P3 C69 -152.6(3) . . . . ?
N5 Ru2 P3 C69 26.2(3) . . . . ?
N4 Ru2 P3 C69 -51.7(3) . . . . ?
N6 Ru2 P3 C69 102.1(3) . . . . ?
P4 Ru2 P3 C69 -23(2) . . . . ?
C47 Ru2 P4 C87 -84.5(3) . . . . ?
N5 Ru2 P4 C87 96.7(3) . . . . ?
N4 Ru2 P4 C87 174.6(3) . . . . ?
N6 Ru2 P4 C87 20.9(3) . . . . ?
P3 Ru2 P4 C87 145(2) . . . . ?
C47 Ru2 P4 C81 153.3(3) . . . . ?
N5 Ru2 P4 C81 -25.4(3) . . . . ?
N4 Ru2 P4 C81 52.5(3) . . . . ?
N6 Ru2 P4 C81 -101.3(3) . . . . ?
P3 Ru2 P4 C81 23(2) . . . . ?
C47 Ru2 P4 C75 35.1(3) . . . . ?
N5 Ru2 P4 C75 -143.7(3) . . . . ?
N4 Ru2 P4 C75 -65.8(3) . . . . ?
N6 Ru2 P4 C75 140.5(3) . . . . ?
P3 Ru2 P4 C75 -95(2) . . . . ?
C1 Ru1 N3 C9 179.2(5) . . . . ?
N2 Ru1 N3 C9 0.2(5) . . . . ?
N1 Ru1 N3 C9 0.1(8) . . . . ?
P2 Ru1 N3 C9 89.6(5) . . . . ?
P1 Ru1 N3 C9 -86.2(5) . . . . ?
C1 Ru1 N3 O3 2.3(6) . . . . ?
N2 Ru1 N3 O3 -176.6(6) . . . . ?
N1 Ru1 N3 O3 -176.8(4) . . . . ?
P2 Ru1 N3 O3 -87.2(5) . . . . ?
P1 Ru1 N3 O3 97.0(5) . . . . ?
C1 Ru1 N2 C4 30(7) . . . . ?
N1 Ru1 N2 C4 -0.6(4) . . . . ?
N3 Ru1 N2 C4 179.4(5) . . . . ?
P2 Ru1 N2 C4 90.8(4) . . . . ?
P1 Ru1 N2 C4 -87.6(4) . . . . ?
C1 Ru1 N2 C8 -151(7) . . . . ?
N1 Ru1 N2 C8 178.6(5) . . . . ?
N3 Ru1 N2 C8 -1.3(5) . . . . ?
P2 Ru1 N2 C8 -89.9(5) . . . . ?
P1 Ru1 N2 C8 91.7(5) . . . . ?
C1 Ru1 N1 O2 5.8(5) . . . . ?
N2 Ru1 N1 O2 -175.3(5) . . . . ?
N3 Ru1 N1 O2 -175.1(4) . . . . ?
P2 Ru1 N1 O2 96.0(5) . . . . ?
P1 Ru1 N1 O2 -87.6(5) . . . . ?
C1 Ru1 N1 C3 -176.2(5) . . . . ?
N2 Ru1 N1 C3 2.7(4) . . . . ?
N3 Ru1 N1 C3 2.9(7) . . . . ?
P2 Ru1 N1 C3 -86.1(4) . . . . ?
P1 Ru1 N1 C3 90.4(4) . . . . ?
C47 Ru2 N6 C55 -179.8(5) . . . . ?
N5 Ru2 N6 C55 -0.1(4) . . . . ?
N4 Ru2 N6 C55 -1.2(8) . . . . ?
P3 Ru2 N6 C55 -89.2(5) . . . . ?
P4 Ru2 N6 C55 89.3(5) . . . . ?
C47 Ru2 N6 O6 -1.8(6) . . . . ?
N5 Ru2 N6 O6 177.9(5) . . . . ?
N4 Ru2 N6 O6 176.8(4) . . . . ?
P3 Ru2 N6 O6 88.8(5) . . . . ?
P4 Ru2 N6 O6 -92.7(5) . . . . ?
C47 Ru2 N5 C54 167(32) . . . . ?
N4 Ru2 N5 C54 -179.9(5) . . . . ?
N6 Ru2 N5 C54 0.6(4) . . . . ?
P3 Ru2 N5 C54 90.7(4) . . . . ?
P4 Ru2 N5 C54 -90.6(4) . . . . ?
C47 Ru2 N5 C50 -13(11) . . . . ?
N4 Ru2 N5 C50 0.2(4) . . . . ?
N6 Ru2 N5 C50 -179.3(5) . . . . ?
P3 Ru2 N5 C50 -89.2(4) . . . . ?
P4 Ru2 N5 C50 89.5(4) . . . . ?
C47 Ru2 N4 O5 -0.6(5) . . . . ?
N5 Ru2 N4 O5 179.8(5) . . . . ?
N6 Ru2 N4 O5 -179.1(4) . . . . ?
P3 Ru2 N4 O5 -91.0(4) . . . . ?
P4 Ru2 N4 O5 89.9(4) . . . . ?
C47 Ru2 N4 C49 -179.6(4) . . . . ?
N5 Ru2 N4 C49 0.7(4) . . . . ?
N6 Ru2 N4 C49 1.8(7) . . . . ?
P3 Ru2 N4 C49 90.0(4) . . . . ?
P4 Ru2 N4 C49 -89.2(4) . . . . ?
C23 P1 C17 C18 -175.8(5) . . . . ?
C11 P1 C17 C18 78.3(6) . . . . ?
Ru1 P1 C17 C18 -50.4(6) . . . . ?
C23 P1 C17 C22 10.8(7) . . . . ?
C11 P1 C17 C22 -95.0(7) . . . . ?
Ru1 P1 C17 C22 136.2(6) . . . . ?
C22 C17 C18 C19 0.5(11) . . . . ?
P1 C17 C18 C19 -173.3(6) . . . . ?
C17 C18 C19 C20 -2.5(12) . . . . ?
C18 C19 C20 C21 2.7(13) . . . . ?
C19 C20 C21 C22 -0.9(13) . . . . ?
C20 C21 C22 C17 -1.2(13) . . . . ?
C18 C17 C22 C21 1.4(12) . . . . ?
P1 C17 C22 C21 174.7(6) . . . . ?
C17 P1 C23 C24 -137.9(6) . . . . ?
C11 P1 C23 C24 -32.4(6) . . . . ?
Ru1 P1 C23 C24 95.0(5) . . . . ?
C17 P1 C23 C28 47.6(6) . . . . ?
C11 P1 C23 C28 153.1(6) . . . . ?
Ru1 P1 C23 C28 -79.5(6) . . . . ?
C28 C23 C24 C25 0.0(10) . . . . ?
P1 C23 C24 C25 -174.7(6) . . . . ?
C23 C24 C25 C26 -1.4(13) . . . . ?
C24 C25 C26 C27 2.2(15) . . . . ?
C25 C26 C27 C28 -1.6(14) . . . . ?
C26 C27 C28 C23 0.3(12) . . . . ?
C24 C23 C28 C27 0.5(10) . . . . ?
P1 C23 C28 C27 175.0(6) . . . . ?
C23 P1 C11 C16 -73.4(6) . . . . ?
C17 P1 C11 C16 36.1(6) . . . . ?
Ru1 P1 C11 C16 162.9(5) . . . . ?
C23 P1 C11 C12 104.0(6) . . . . ?
C17 P1 C11 C12 -146.6(5) . . . . ?
Ru1 P1 C11 C12 -19.7(6) . . . . ?
C16 C11 C12 C13 0.0(10) . . . . ?
P1 C11 C12 C13 -177.4(5) . . . . ?
C11 C12 C13 C14 2.0(11) . . . . ?
C12 C13 C14 C15 -1.7(12) . . . . ?
C13 C14 C15 C16 -0.5(12) . . . . ?
C12 C11 C16 C15 -2.1(11) . . . . ?
P1 C11 C16 C15 175.3(6) . . . . ?
C14 C15 C16 C11 2.4(12) . . . . ?
C41 P2 C29 C34 91.0(8) . . . . ?
C35 P2 C29 C34 -160.0(8) . . . . ?
Ru1 P2 C29 C34 -31.4(8) . . . . ?
C41 P2 C29 C30 -83.0(8) . . . . ?
C35 P2 C29 C30 26.1(8) . . . . ?
Ru1 P2 C29 C30 154.6(7) . . . . ?
C34 C29 C30 C31 -0.6(16) . . . . ?
P2 C29 C30 C31 173.5(9) . . . . ?
C29 C30 C31 C32 1(2) . . . . ?
C30 C31 C32 C33 -1(2) . . . . ?
C31 C32 C33 C34 0.4(18) . . . . ?
C30 C29 C34 C33 0.5(15) . . . . ?
P2 C29 C34 C33 -173.6(8) . . . . ?
C32 C33 C34 C29 -0.5(17) . . . . ?
C41 P2 C35 C36 -172.4(6) . . . . ?
C29 P2 C35 C36 81.0(6) . . . . ?
Ru1 P2 C35 C36 -49.0(7) . . . . ?
C41 P2 C35 C40 15.2(7) . . . . ?
C29 P2 C35 C40 -91.4(7) . . . . ?
Ru1 P2 C35 C40 138.6(6) . . . . ?
C40 C35 C36 C37 -1.4(12) . . . . ?
P2 C35 C36 C37 -174.2(7) . . . . ?
C35 C36 C37 C38 0.5(14) . . . . ?
C36 C37 C38 C39 0.5(16) . . . . ?
C37 C38 C39 C40 -0.6(17) . . . . ?
C38 C39 C40 C35 -0.4(16) . . . . ?
C36 C35 C40 C39 1.4(13) . . . . ?
P2 C35 C40 C39 173.7(7) . . . . ?
C35 P2 C41 C42 -134.6(6) . . . . ?
C29 P2 C41 C42 -28.2(7) . . . . ?
Ru1 P2 C41 C42 99.0(6) . . . . ?
C35 P2 C41 C46 48.7(6) . . . . ?
C29 P2 C41 C46 155.1(6) . . . . ?
Ru1 P2 C41 C46 -77.7(6) . . . . ?
C46 C41 C42 C43 -0.4(11) . . . . ?
P2 C41 C42 C43 -177.2(6) . . . . ?
C41 C42 C43 C44 -0.8(13) . . . . ?
C42 C43 C44 C45 1.6(14) . . . . ?
C43 C44 C45 C46 -1.1(13) . . . . ?
C44 C45 C46 C41 -0.1(12) . . . . ?
C42 C41 C46 C45 0.8(11) . . . . ?
P2 C41 C46 C45 177.6(6) . . . . ?
O3 N3 C9 C8 178.2(5) . . . . ?
Ru1 N3 C9 C8 0.7(8) . . . . ?
O3 N3 C9 C10 0.8(9) . . . . ?
Ru1 N3 C9 C10 -176.6(6) . . . . ?
C4 N2 C8 C7 2.8(10) . . . . ?
Ru1 N2 C8 C7 -176.4(5) . . . . ?
C4 N2 C8 C9 -178.8(6) . . . . ?
Ru1 N2 C8 C9 2.0(7) . . . . ?
N3 C9 C8 N2 -1.7(8) . . . . ?
C10 C9 C8 N2 175.6(6) . . . . ?
N3 C9 C8 C7 176.5(7) . . . . ?
C10 C9 C8 C7 -6.2(11) . . . . ?
N2 C8 C7 C6 -2.0(10) . . . . ?
C9 C8 C7 C6 179.9(7) . . . . ?
C8 C7 C6 C5 0.2(11) . . . . ?
C7 C6 C5 C4 1.0(11) . . . . ?
C8 N2 C4 C5 -1.7(9) . . . . ?
Ru1 N2 C4 C5 177.6(5) . . . . ?
C8 N2 C4 C3 179.4(6) . . . . ?
Ru1 N2 C4 C3 -1.3(7) . . . . ?
C6 C5 C4 N2 -0.3(10) . . . . ?
C6 C5 C4 C3 178.4(7) . . . . ?
O2 N1 C3 C4 173.9(5) . . . . ?
Ru1 N1 C3 C4 -4.2(7) . . . . ?
O2 N1 C3 C2 -3.6(9) . . . . ?
Ru1 N1 C3 C2 178.3(5) . . . . ?
N2 C4 C3 N1 3.7(8) . . . . ?
C5 C4 C3 N1 -175.1(6) . . . . ?
N2 C4 C3 C2 -178.9(6) . . . . ?
C5 C4 C3 C2 2.3(11) . . . . ?
N2 Ru1 C1 O1 8(17) . . . . ?
N1 Ru1 C1 O1 38(11) . . . . ?
N3 Ru1 C1 O1 -142(11) . . . . ?
P2 Ru1 C1 O1 -53(11) . . . . ?
P1 Ru1 C1 O1 125(11) . . . . ?
C57 P3 C63 C68 -113.1(7) . . . . ?
C69 P3 C63 C68 -5.9(7) . . . . ?
Ru2 P3 C63 C68 120.8(6) . . . . ?
C57 P3 C63 C64 65.7(6) . . . . ?
C69 P3 C63 C64 172.8(5) . . . . ?
Ru2 P3 C63 C64 -60.5(5) . . . . ?
C68 C63 C64 C65 -1.3(11) . . . . ?
P3 C63 C64 C65 179.9(6) . . . . ?
C63 C64 C65 C66 -0.5(12) . . . . ?
C64 C65 C66 C67 1.1(13) . . . . ?
C65 C66 C67 C68 0.1(15) . . . . ?
C64 C63 C68 C67 2.4(12) . . . . ?
P3 C63 C68 C67 -178.8(7) . . . . ?
C66 C67 C68 C63 -1.9(15) . . . . ?
C63 P3 C69 C70 -135.8(6) . . . . ?
C57 P3 C69 C70 -28.8(6) . . . . ?
Ru2 P3 C69 C70 98.1(5) . . . . ?
C63 P3 C69 C74 49.2(6) . . . . ?
C57 P3 C69 C74 156.2(6) . . . . ?
Ru2 P3 C69 C74 -76.9(6) . . . . ?
C74 C69 C70 C71 -0.6(11) . . . . ?
P3 C69 C70 C71 -175.7(6) . . . . ?
C69 C70 C71 C72 -0.2(13) . . . . ?
C70 C71 C72 C73 0.0(14) . . . . ?
C71 C72 C73 C74 1.0(14) . . . . ?
C72 C73 C74 C69 -1.8(12) . . . . ?
C70 C69 C74 C73 1.7(11) . . . . ?
P3 C69 C74 C73 176.6(6) . . . . ?
C63 P3 C57 C62 -143.6(6) . . . . ?
C69 P3 C57 C62 103.3(6) . . . . ?
Ru2 P3 C57 C62 -20.9(6) . . . . ?
C63 P3 C57 C58 41.9(6) . . . . ?
C69 P3 C57 C58 -71.2(6) . . . . ?
Ru2 P3 C57 C58 164.6(5) . . . . ?
C62 C57 C58 C59 -0.3(11) . . . . ?
P3 C57 C58 C59 174.4(6) . . . . ?
C57 C58 C59 C60 2.0(12) . . . . ?
C58 C59 C60 C61 -2.2(13) . . . . ?
C59 C60 C61 C62 0.7(12) . . . . ?
C58 C57 C62 C61 -1.1(10) . . . . ?
P3 C57 C62 C61 -175.7(5) . . . . ?
C60 C61 C62 C57 1.0(11) . . . . ?
C87 P4 C81 C82 -46.7(6) . . . . ?
C75 P4 C81 C82 -154.5(6) . . . . ?
Ru2 P4 C81 C82 78.7(6) . . . . ?
C87 P4 C81 C86 141.4(5) . . . . ?
C75 P4 C81 C86 33.6(6) . . . . ?
Ru2 P4 C81 C86 -93.2(5) . . . . ?
C86 C81 C82 C83 -3.0(10) . . . . ?
P4 C81 C82 C83 -175.0(5) . . . . ?
C81 C82 C83 C84 3.0(11) . . . . ?
C82 C83 C84 C85 -1.2(12) . . . . ?
C83 C84 C85 C86 -0.4(13) . . . . ?
C84 C85 C86 C81 0.3(12) . . . . ?
C82 C81 C86 C85 1.4(10) . . . . ?
P4 C81 C86 C85 173.6(6) . . . . ?
C87 P4 C75 C80 144.5(6) . . . . ?
C81 P4 C75 C80 -103.1(6) . . . . ?
Ru2 P4 C75 C80 18.8(7) . . . . ?
C87 P4 C75 C76 -37.8(7) . . . . ?
C81 P4 C75 C76 74.7(7) . . . . ?
Ru2 P4 C75 C76 -163.4(6) . . . . ?
C80 C75 C76 C77 0.9(14) . . . . ?
P4 C75 C76 C77 -176.9(8) . . . . ?
C75 C76 C77 C78 -0.7(19) . . . . ?
C76 C77 C78 C79 -1(2) . . . . ?
C77 C78 C79 C80 1.6(16) . . . . ?
C76 C75 C80 C79 0.1(12) . . . . ?
P4 C75 C80 C79 177.8(6) . . . . ?
C78 C79 C80 C75 -1.4(14) . . . . ?
C81 P4 C87 C88 -179.3(6) . . . . ?
C75 P4 C87 C88 -70.7(7) . . . . ?
Ru2 P4 C87 C88 57.4(7) . . . . ?
C81 P4 C87 C92 0.4(8) . . . . ?
C75 P4 C87 C92 109.0(7) . . . . ?
Ru2 P4 C87 C92 -122.8(7) . . . . ?
C92 C87 C88 C89 0.0(14) . . . . ?
P4 C87 C88 C89 179.8(8) . . . . ?
C87 C88 C89 C90 3.7(17) . . . . ?
C88 C89 C90 C91 -3.9(18) . . . . ?
C89 C90 C91 C92 0.4(18) . . . . ?
C88 C87 C92 C91 -3.5(13) . . . . ?
P4 C87 C92 C91 176.7(7) . . . . ?
C90 C91 C92 C87 3.4(16) . . . . ?
O6 N6 C55 C54 -178.8(5) . . . . ?
Ru2 N6 C55 C54 -0.3(7) . . . . ?
O6 N6 C55 C56 -0.8(9) . . . . ?
Ru2 N6 C55 C56 177.6(5) . . . . ?
C50 N5 C54 C53 -0.3(9) . . . . ?
Ru2 N5 C54 C53 179.8(5) . . . . ?
C50 N5 C54 C55 179.0(5) . . . . ?
Ru2 N5 C54 C55 -1.0(7) . . . . ?
N6 C55 C54 N5 0.8(8) . . . . ?
C56 C55 C54 N5 -177.2(6) . . . . ?
N6 C55 C54 C53 180.0(6) . . . . ?
C56 C55 C54 C53 2.0(11) . . . . ?
N5 C54 C53 C52 1.6(10) . . . . ?
C55 C54 C53 C52 -177.5(7) . . . . ?
C54 C53 C52 C51 -2.1(11) . . . . ?
C53 C52 C51 C50 1.2(11) . . . . ?
C54 N5 C50 C51 -0.6(9) . . . . ?
Ru2 N5 C50 C51 179.3(5) . . . . ?
C54 N5 C50 C49 179.1(5) . . . . ?
Ru2 N5 C50 C49 -1.0(7) . . . . ?
C52 C51 C50 N5 0.2(10) . . . . ?
C52 C51 C50 C49 -179.5(6) . . . . ?
O5 N4 C49 C50 179.5(5) . . . . ?
Ru2 N4 C49 C50 -1.4(7) . . . . ?
O5 N4 C49 C48 -0.2(9) . . . . ?
Ru2 N4 C49 C48 179.0(5) . . . . ?
N5 C50 C49 N4 1.6(8) . . . . ?
C51 C50 C49 N4 -178.7(6) . . . . ?
N5 C50 C49 C48 -178.8(6) . . . . ?
C51 C50 C49 C48 0.9(10) . . . . ?
N5 Ru2 C47 O4 48(41) . . . . ?
N4 Ru2 C47 O4 34(34) . . . . ?
N6 Ru2 C47 O4 -146(34) . . . . ?
P3 Ru2 C47 O4 124(34) . . . . ?
P4 Ru2 C47 O4 -55(34) . . . . ?
