#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/47/7014775.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_7014775
loop_
_publ_author_name
'Tsoureas, Nikolaos'
'Nunn, Joshua'
'Bevis, Thomas'
'Haddow, Mairi F.'
'Hamilton, Alex'
'Owen, Gareth R.'
_publ_section_title
;
 Strong agostic-type interactions in ruthenium benzylidene complexes
 containing 7-azaindole based scorpionate ligands.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              951
_journal_page_last               958
_journal_paper_doi               10.1039/c0dt01148g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C45 H55 B Cl N4 P Ru'
_chemical_formula_sum            'C45 H55 B Cl N4 P Ru'
_chemical_formula_weight         830.23
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.670(2)
_cell_angle_beta                 99.766(2)
_cell_angle_gamma                102.853(2)
_cell_formula_units_Z            4
_cell_length_a                   11.1108(4)
_cell_length_b                   20.4596(8)
_cell_length_c                   20.6296(8)
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.89
_cell_volume                     4081.6(3)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker ShelXTL'
_computing_publication_material  'Bruker ShelXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker Apex II with CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            60351
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    0.526
_exptl_absorpt_correction_T_max  0.7546
_exptl_absorpt_correction_T_min  0.6383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V20081/'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.972
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.088
_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     961
_refine_ls_number_reflns         18505
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0374P)²+5.3940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                14536
_reflns_number_total             18505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01148G.TXT
_cod_data_source_block           jn131_Complex_5
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014775
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.181237(19) 0.783742(11) 0.075109(11) 0.01123(5) Uani 1 1 d . . .
P1 P 0.15401(7) 0.68547(4) -0.03775(4) 0.01368(14) Uani 1 1 d . . .
Cl1 Cl 0.16987(6) 0.70225(4) 0.13524(3) 0.01595(13) Uani 1 1 d . . .
N1 N -0.0005(2) 0.87698(12) 0.04102(12) 0.0153(5) Uani 1 1 d . . .
N2 N -0.0204(2) 0.77854(12) 0.07860(11) 0.0138(5) Uani 1 1 d . . .
N3 N 0.2319(2) 0.95283(12) 0.11021(12) 0.0159(5) Uani 1 1 d . . .
N4 N 0.2281(2) 0.88033(12) 0.17843(12) 0.0132(4) Uani 1 1 d . . .
B1 B 0.1403(3) 0.89211(17) 0.03858(16) 0.0144(6) Uani 1 1 d . . .
H1 H 0.164(3) 0.8325(16) 0.0283(16) 0.017 Uiso 1 1 d . . .
C1 C -0.0668(3) 0.82758(15) 0.06235(14) 0.0149(5) Uani 1 1 d . . .
C2 C -0.0812(3) 0.91761(16) 0.03048(16) 0.0215(6) Uani 1 1 d . . .
H2A H -0.0591 0.9567 0.0160 0.026 Uiso 1 1 calc R . .
C3 C -0.1958(3) 0.89449(16) 0.04341(16) 0.0228(6) Uani 1 1 d . . .
H3 H -0.2656 0.9138 0.0395 0.027 Uiso 1 1 calc R . .
C4 C -0.1904(3) 0.83532(15) 0.06405(15) 0.0182(6) Uani 1 1 d . . .
C5 C -0.2699(3) 0.78845(16) 0.08496(16) 0.0220(6) Uani 1 1 d . . .
H5 H -0.3536 0.7909 0.0870 0.026 Uiso 1 1 calc R . .
C6 C -0.2230(3) 0.73830(16) 0.10254(16) 0.0212(6) Uani 1 1 d . . .
H6 H -0.2749 0.7057 0.1171 0.025 Uiso 1 1 calc R . .
C7 C -0.1001(3) 0.73502(15) 0.09908(14) 0.0166(6) Uani 1 1 d . . .
H7 H -0.0710 0.7000 0.1119 0.020 Uiso 1 1 calc R . .
C8 C 0.2569(2) 0.94605(15) 0.17435(14) 0.0141(5) Uani 1 1 d . . .
C9 C 0.2737(3) 1.02843(15) 0.12868(16) 0.0207(6) Uani 1 1 d . . .
H9 H 0.2656 1.0496 0.0948 0.025 Uiso 1 1 calc R . .
C10 C 0.3275(3) 1.06804(16) 0.20139(16) 0.0232(6) Uani 1 1 d . . .
H10 H 0.3646 1.1203 0.2265 0.028 Uiso 1 1 calc R . .
C11 C 0.3176(3) 1.01597(15) 0.23299(15) 0.0179(6) Uani 1 1 d . . .
C12 C 0.3490(3) 1.01774(16) 0.30212(16) 0.0208(6) Uani 1 1 d . . .
H12 H 0.3901 1.0631 0.3440 0.025 Uiso 1 1 calc R . .
C13 C 0.3179(3) 0.95115(16) 0.30748(15) 0.0193(6) Uani 1 1 d . . .
H13 H 0.3371 0.9508 0.3540 0.023 Uiso 1 1 calc R . .
C14 C 0.2589(2) 0.88416(15) 0.24592(14) 0.0158(5) Uani 1 1 d . . .
H14 H 0.2397 0.8395 0.2520 0.019 Uiso 1 1 calc R . .
C15 C 0.1683(3) 0.90305(15) -0.03121(15) 0.0194(6) Uani 1 1 d . . .
C16 C 0.2952(3) 0.92904(16) -0.03255(17) 0.0251(7) Uani 1 1 d . . .
H16 H 0.3629 0.9460 0.0104 0.030 Uiso 1 1 calc R . .
C17 C 0.3251(4) 0.93080(18) -0.09484(19) 0.0350(8) Uani 1 1 d . . .
H17 H 0.4121 0.9488 -0.0940 0.042 Uiso 1 1 calc R . .
C18 C 0.2283(4) 0.9064(2) -0.1578(2) 0.0423(10) Uani 1 1 d . . .
H18 H 0.2480 0.9068 -0.2007 0.051 Uiso 1 1 calc R . .
C19 C 0.1027(4) 0.88144(18) -0.15762(18) 0.0372(9) Uani 1 1 d . . .
H19 H 0.0356 0.8650 -0.2008 0.045 Uiso 1 1 calc R . .
C20 C 0.0721(3) 0.87986(16) -0.09511(16) 0.0242(7) Uani 1 1 d . . .
H20 H -0.0154 0.8628 -0.0962 0.029 Uiso 1 1 calc R . .
C21 C 0.3570(3) 0.82169(15) 0.08386(14) 0.0151(5) Uani 1 1 d . . .
H21 H 0.3758 0.8229 0.0410 0.018 Uiso 1 1 calc R . .
C22 C 0.4688(3) 0.84952(15) 0.14636(15) 0.0167(6) Uani 1 1 d . . .
C23 C 0.5709(3) 0.91171(16) 0.15896(16) 0.0213(6) Uani 1 1 d . . .
H23 H 0.5663 0.9347 0.1266 0.026 Uiso 1 1 calc R . .
C24 C 0.6777(3) 0.93958(18) 0.21806(18) 0.0282(7) Uani 1 1 d . . .
H24 H 0.7444 0.9827 0.2272 0.034 Uiso 1 1 calc R . .
C25 C 0.6872(3) 0.90450(18) 0.26389(17) 0.0265(7) Uani 1 1 d . . .
H25 H 0.7618 0.9229 0.3036 0.032 Uiso 1 1 calc R . .
C26 C 0.5892(3) 0.84314(18) 0.25216(16) 0.0249(7) Uani 1 1 d . . .
H26 H 0.5967 0.8192 0.2837 0.030 Uiso 1 1 calc R . .
C27 C 0.4794(3) 0.81606(17) 0.19445(15) 0.0207(6) Uani 1 1 d . . .
H27 H 0.4111 0.7746 0.1876 0.025 Uiso 1 1 calc R . .
C28 C 0.1973(3) 0.60646(15) -0.02836(15) 0.0189(6) Uani 1 1 d . . .
H28 H 0.1393 0.5898 -0.0015 0.023 Uiso 1 1 calc R . .
C29 C 0.3345(3) 0.62684(16) 0.01941(16) 0.0223(6) Uani 1 1 d . . .
H29A H 0.3978 0.6384 -0.0064 0.027 Uiso 1 1 calc R . .
H29B H 0.3513 0.6713 0.0650 0.027 Uiso 1 1 calc R . .
C30 C 0.3493(3) 0.56240(18) 0.03679(17) 0.0304(7) Uani 1 1 d . . .
H30A H 0.2889 0.5527 0.0648 0.037 Uiso 1 1 calc R . .
H30B H 0.4377 0.5756 0.0672 0.037 Uiso 1 1 calc R . .
C31 C 0.3226(4) 0.49278(19) -0.03242(18) 0.0378(9) Uani 1 1 d . . .
H31A H 0.3886 0.5008 -0.0578 0.045 Uiso 1 1 calc R . .
H31B H 0.3281 0.4512 -0.0197 0.045 Uiso 1 1 calc R . .
C32 C 0.1903(4) 0.47279(17) -0.08280(18) 0.0330(8) Uani 1 1 d . . .
H32A H 0.1239 0.4580 -0.0600 0.040 Uiso 1 1 calc R . .
H32B H 0.1788 0.4299 -0.1288 0.040 Uiso 1 1 calc R . .
C33 C 0.1717(3) 0.53753(16) -0.09948(15) 0.0235(6) Uani 1 1 d . . .
H33A H 0.0827 0.5237 -0.1296 0.028 Uiso 1 1 calc R . .
H33B H 0.2313 0.5488 -0.1273 0.028 Uiso 1 1 calc R . .
C34 C 0.2440(3) 0.71425(15) -0.09690(14) 0.0170(6) Uani 1 1 d . . .
H34 H 0.2404 0.7652 -0.0878 0.020 Uiso 1 1 calc R . .
C35 C 0.3880(3) 0.72152(16) -0.07704(16) 0.0217(6) Uani 1 1 d . . .
H35A H 0.4252 0.7492 -0.0238 0.026 Uiso 1 1 calc R . .
H35B H 0.3980 0.6716 -0.0915 0.026 Uiso 1 1 calc R . .
C36 C 0.4608(3) 0.76158(18) -0.11480(18) 0.0298(7) Uani 1 1 d . . .
H36A H 0.5529 0.7656 -0.1010 0.036 Uiso 1 1 calc R . .
H36B H 0.4540 0.8122 -0.0989 0.036 Uiso 1 1 calc R . .
C37 C 0.4059(3) 0.71965(19) -0.19715(18) 0.0317(8) Uani 1 1 d . . .
H37A H 0.4485 0.7488 -0.2206 0.038 Uiso 1 1 calc R . .
H37B H 0.4240 0.6718 -0.2136 0.038 Uiso 1 1 calc R . .
C38 C 0.2618(3) 0.70548(18) -0.22029(17) 0.0281(7) Uani 1 1 d . . .
H38A H 0.2283 0.6737 -0.2731 0.034 Uiso 1 1 calc R . .
H38B H 0.2449 0.7532 -0.2112 0.034 Uiso 1 1 calc R . .
C39 C 0.1896(3) 0.66798(16) -0.17986(15) 0.0205(6) Uani 1 1 d . . .
H39A H 0.1982 0.6179 -0.1929 0.025 Uiso 1 1 calc R . .
H39B H 0.0971 0.6626 -0.1947 0.025 Uiso 1 1 calc R . .
C40 C -0.0143(3) 0.64259(15) -0.09688(14) 0.0154(5) Uani 1 1 d . . .
H40 H -0.0131 0.6070 -0.1453 0.019 Uiso 1 1 calc R . .
C41 C -0.1028(3) 0.59897(16) -0.06694(16) 0.0215(6) Uani 1 1 d . . .
H41A H -0.0747 0.5563 -0.0670 0.026 Uiso 1 1 calc R . .
H41B H -0.0964 0.6312 -0.0162 0.026 Uiso 1 1 calc R . .
C42 C -0.2428(3) 0.57112(18) -0.11315(17) 0.0277(7) Uani 1 1 d . . .
H42A H -0.2503 0.5348 -0.1625 0.033 Uiso 1 1 calc R . .
H42B H -0.2983 0.5455 -0.0914 0.033 Uiso 1 1 calc R . .
C43 C -0.2896(3) 0.63361(19) -0.11872(18) 0.0286(7) Uani 1 1 d . . .
H43A H -0.2866 0.6688 -0.0698 0.034 Uiso 1 1 calc R . .
H43B H -0.3798 0.6133 -0.1492 0.034 Uiso 1 1 calc R . .
C44 C -0.2059(3) 0.67382(18) -0.15198(16) 0.0231(6) Uani 1 1 d . . .
H44A H -0.2349 0.7158 -0.1533 0.028 Uiso 1 1 calc R . .
H44B H -0.2152 0.6397 -0.2025 0.028 Uiso 1 1 calc R . .
C45 C -0.0649(3) 0.70259(15) -0.10827(15) 0.0170(6) Uani 1 1 d . . .
H45A H -0.0543 0.7424 -0.0603 0.020 Uiso 1 1 calc R . .
H45B H -0.0122 0.7245 -0.1337 0.020 Uiso 1 1 calc R . .
Ru2 Ru 0.866488(19) 0.789283(11) 0.483854(11) 0.01088(5) Uani 1 1 d . . .
P2 P 0.64759(6) 0.71861(4) 0.44976(4) 0.01294(14) Uani 1 1 d . . .
Cl2 Cl 0.81321(6) 0.86329(4) 0.42347(3) 0.01497(13) Uani 1 1 d . . .
N5 N 1.0101(2) 0.66368(13) 0.45626(12) 0.0163(5) Uani 1 1 d . . .
N6 N 0.9339(2) 0.72770(12) 0.38948(12) 0.0137(4) Uani 1 1 d . . .
N7 N 1.1104(2) 0.77807(13) 0.57678(12) 0.0159(5) Uani 1 1 d . . .
N8 N 1.0656(2) 0.85711(12) 0.52152(12) 0.0138(5) Uani 1 1 d . . .
B2 B 0.9918(3) 0.70991(16) 0.52957(16) 0.0131(6) Uani 1 1 d . . .
H2 H 0.890(3) 0.7250(16) 0.5122(15) 0.016 Uiso 1 1 d . . .
C46 C 0.9891(2) 0.67746(15) 0.39573(14) 0.0145(5) Uani 1 1 d . . .
C47 C 1.0667(3) 0.60792(16) 0.44028(16) 0.0225(6) Uani 1 1 d . . .
H47 H 1.0936 0.5882 0.4733 0.027 Uiso 1 1 calc R . .
C48 C 1.0790(3) 0.58473(17) 0.37146(17) 0.0249(7) Uani 1 1 d . . .
H48 H 1.1137 0.5467 0.3484 0.030 Uiso 1 1 calc R . .
C49 C 1.0297(3) 0.62874(15) 0.34076(15) 0.0182(6) Uani 1 1 d . . .
C50 C 1.0162(3) 0.63622(16) 0.27565(15) 0.0210(6) Uani 1 1 d . . .
H50 H 1.0405 0.6050 0.2365 0.025 Uiso 1 1 calc R . .
C51 C 0.9662(3) 0.69054(16) 0.26992(15) 0.0194(6) Uani 1 1 d . . .
H51 H 0.9589 0.6981 0.2269 0.023 Uiso 1 1 calc R . .
C52 C 0.9261(2) 0.73443(15) 0.32653(14) 0.0164(6) Uani 1 1 d . . .
H52 H 0.8917 0.7709 0.3203 0.020 Uiso 1 1 calc R . .
C53 C 1.1454(2) 0.84036(15) 0.56516(14) 0.0153(5) Uani 1 1 d . . .
C54 C 1.2181(3) 0.78129(17) 0.62505(15) 0.0213(6) Uani 1 1 d . . .
H54 H 1.2222 0.7444 0.6421 0.026 Uiso 1 1 calc R . .
C55 C 1.3170(3) 0.84405(17) 0.64471(16) 0.0232(6) Uani 1 1 d . . .
H55 H 1.3991 0.8587 0.6777 0.028 Uiso 1 1 calc R . .
C56 C 1.2730(3) 0.88360(15) 0.60599(15) 0.0182(6) Uani 1 1 d . . .
C57 C 1.3214(3) 0.94922(16) 0.59946(17) 0.0230(6) Uani 1 1 d . . .
H57 H 1.4061 0.9813 0.6263 0.028 Uiso 1 1 calc R . .
C58 C 1.2428(3) 0.96631(15) 0.55292(16) 0.0205(6) Uani 1 1 d . . .
H58 H 1.2747 1.0096 0.5460 0.025 Uiso 1 1 calc R . .
C59 C 1.1168(2) 0.92042(15) 0.51600(15) 0.0154(5) Uani 1 1 d . . .
H59 H 1.0645 0.9345 0.4854 0.018 Uiso 1 1 calc R . .
C60 C 0.9428(3) 0.66474(15) 0.57423(15) 0.0171(6) Uani 1 1 d . . .
C61 C 0.9498(3) 0.70401(16) 0.64755(15) 0.0196(6) Uani 1 1 d . . .
H61 H 0.9918 0.7559 0.6708 0.024 Uiso 1 1 calc R . .
C62 C 0.8970(3) 0.66876(17) 0.68685(16) 0.0238(6) Uani 1 1 d . . .
H62 H 0.9025 0.6966 0.7363 0.029 Uiso 1 1 calc R . .
C63 C 0.8361(3) 0.59301(17) 0.65414(17) 0.0250(7) Uani 1 1 d . . .
H63 H 0.8001 0.5688 0.6810 0.030 Uiso 1 1 calc R . .
C64 C 0.8282(3) 0.55306(16) 0.58213(17) 0.0228(6) Uani 1 1 d . . .
H64 H 0.7875 0.5010 0.5596 0.027 Uiso 1 1 calc R . .
C65 C 0.8795(3) 0.58860(15) 0.54254(16) 0.0186(6) Uani 1 1 d . . .
H65 H 0.8713 0.5605 0.4928 0.022 Uiso 1 1 calc R . .
C66 C 0.8565(2) 0.83918(14) 0.57923(14) 0.0138(5) Uani 1 1 d . . .
H66 H 0.8115 0.8074 0.5971 0.017 Uiso 1 1 calc R . .
C67 C 0.9045(2) 0.91686(15) 0.63085(14) 0.0148(5) Uani 1 1 d . . .
C68 C 0.9271(3) 0.97565(15) 0.61019(15) 0.0169(6) Uani 1 1 d . . .
H68 H 0.9109 0.9656 0.5602 0.020 Uiso 1 1 calc R . .
C69 C 0.9729(3) 1.04818(16) 0.66223(16) 0.0197(6) Uani 1 1 d . . .
H69 H 0.9857 1.0876 0.6477 0.024 Uiso 1 1 calc R . .
C70 C 1.0002(3) 1.06358(16) 0.73524(16) 0.0223(6) Uani 1 1 d . . .
H70 H 1.0337 1.1135 0.7705 0.027 Uiso 1 1 calc R . .
C71 C 0.9790(3) 1.00662(17) 0.75742(16) 0.0220(6) Uani 1 1 d . . .
H71 H 0.9984 1.0173 0.8076 0.026 Uiso 1 1 calc R . .
C72 C 0.9293(3) 0.93418(16) 0.70541(15) 0.0181(6) Uani 1 1 d . . .
H72 H 0.9115 0.8952 0.7204 0.022 Uiso 1 1 calc R . .
C73 C 0.5963(3) 0.63106(15) 0.36590(14) 0.0164(6) Uani 1 1 d . . .
H73 H 0.5051 0.6045 0.3599 0.020 Uiso 1 1 calc R . .
C74 C 0.6762(3) 0.58029(15) 0.37200(15) 0.0193(6) Uani 1 1 d . . .
H74A H 0.7676 0.6058 0.3796 0.023 Uiso 1 1 calc R . .
H74B H 0.6692 0.5700 0.4147 0.023 Uiso 1 1 calc R . .
C75 C 0.6314(3) 0.50716(16) 0.30399(17) 0.0280(7) Uani 1 1 d . . .
H75A H 0.6867 0.4765 0.3092 0.034 Uiso 1 1 calc R . .
H75B H 0.5420 0.4796 0.2983 0.034 Uiso 1 1 calc R . .
C76 C 0.6376(3) 0.52128(18) 0.23707(17) 0.0308(7) Uani 1 1 d . . .
H76A H 0.6043 0.4736 0.1933 0.037 Uiso 1 1 calc R . .
H76B H 0.7282 0.5446 0.2407 0.037 Uiso 1 1 calc R . .
C77 C 0.5590(3) 0.57156(18) 0.22957(16) 0.0293(7) Uani 1 1 d . . .
H77A H 0.4670 0.5455 0.2202 0.035 Uiso 1 1 calc R . .
H77B H 0.5690 0.5821 0.1873 0.035 Uiso 1 1 calc R . .
C78 C 0.5996(3) 0.64468(16) 0.29746(15) 0.0205(6) Uani 1 1 d . . .
H78A H 0.5411 0.6735 0.2917 0.025 Uiso 1 1 calc R . .
H78B H 0.6877 0.6741 0.3032 0.025 Uiso 1 1 calc R . .
C79 C 0.5364(3) 0.76746(15) 0.42707(15) 0.0158(5) Uani 1 1 d . . .
H79 H 0.5627 0.7789 0.3875 0.019 Uiso 1 1 calc R . .
C80 C 0.3933(3) 0.72195(16) 0.39300(17) 0.0223(6) Uani 1 1 d . . .
H80A H 0.3841 0.6732 0.3543 0.027 Uiso 1 1 calc R . .
H80B H 0.3554 0.7134 0.4304 0.027 Uiso 1 1 calc R . .
C81 C 0.3232(3) 0.76460(18) 0.36101(18) 0.0275(7) Uani 1 1 d . . .
H81A H 0.3593 0.7711 0.3223 0.033 Uiso 1 1 calc R . .
H81B H 0.2310 0.7357 0.3390 0.033 Uiso 1 1 calc R . .
C82 C 0.3371(3) 0.83965(18) 0.41910(18) 0.0275(7) Uani 1 1 d . . .
H82A H 0.2965 0.8331 0.4564 0.033 Uiso 1 1 calc R . .
H82B H 0.2922 0.8664 0.3972 0.033 Uiso 1 1 calc R . .
C83 C 0.4781(3) 0.88521(17) 0.45475(18) 0.0235(6) Uani 1 1 d . . .
H83A H 0.4851 0.9331 0.4940 0.028 Uiso 1 1 calc R . .
H83B H 0.5168 0.8956 0.4184 0.028 Uiso 1 1 calc R . .
C84 C 0.5515(3) 0.84362(15) 0.48648(15) 0.0178(6) Uani 1 1 d . . .
H84A H 0.5179 0.8372 0.5260 0.021 Uiso 1 1 calc R . .
H84B H 0.6437 0.8729 0.5073 0.021 Uiso 1 1 calc R . .
C85 C 0.6011(3) 0.68613(14) 0.51883(15) 0.0157(5) Uani 1 1 d . . .
H85 H 0.6792 0.6785 0.5431 0.019 Uiso 1 1 calc R . .
C86 C 0.4915(3) 0.61196(15) 0.49028(15) 0.0190(6) Uani 1 1 d . . .
H86A H 0.4089 0.6179 0.4708 0.023 Uiso 1 1 calc R . .
H86B H 0.5089 0.5732 0.4505 0.023 Uiso 1 1 calc R . .
C87 C 0.4823(3) 0.58849(16) 0.55213(16) 0.0218(6) Uani 1 1 d . . .
H87A H 0.4123 0.5412 0.5335 0.026 Uiso 1 1 calc R . .
H87B H 0.5637 0.5803 0.5697 0.026 Uiso 1 1 calc R . .
C88 C 0.4566(3) 0.64666(16) 0.61512(17) 0.0264(7) Uani 1 1 d . . .
H88A H 0.4573 0.6313 0.6554 0.032 Uiso 1 1 calc R . .
H88B H 0.3707 0.6510 0.5992 0.032 Uiso 1 1 calc R . .
C89 C 0.5588(3) 0.72148(16) 0.64171(16) 0.0250(7) Uani 1 1 d . . .
H89A H 0.5373 0.7595 0.6801 0.030 Uiso 1 1 calc R . .
H89B H 0.6432 0.7186 0.6630 0.030 Uiso 1 1 calc R . .
C90 C 0.5675(3) 0.74411(15) 0.57953(15) 0.0178(6) Uani 1 1 d . . .
H90A H 0.6342 0.7927 0.5981 0.021 Uiso 1 1 calc R . .
H90B H 0.4843 0.7492 0.5596 0.021 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C21 Ru1 N4 82.71(10) . . ?
C21 Ru1 N2 161.00(10) . . ?
N4 Ru1 N2 82.84(8) . . ?
C21 Ru1 P1 90.83(8) . . ?
N4 Ru1 P1 173.40(6) . . ?
N2 Ru1 P1 103.18(6) . . ?
C21 Ru1 Cl1 105.59(8) . . ?
N4 Ru1 Cl1 91.36(6) . . ?
N2 Ru1 Cl1 87.00(6) . . ?
P1 Ru1 Cl1 91.66(2) . . ?
C21 Ru1 H1 83.4(10) . . ?
N4 Ru1 H1 92.3(10) . . ?
N2 Ru1 H1 85.0(10) . . ?
P1 Ru1 H1 85.6(10) . . ?
Cl1 Ru1 H1 170.7(10) . . ?
C28 P1 C40 103.45(13) . . ?
C28 P1 C34 108.71(13) . . ?
C40 P1 C34 102.72(12) . . ?
C28 P1 Ru1 113.05(9) . . ?
C40 P1 Ru1 114.35(9) . . ?
C34 P1 Ru1 113.58(9) . . ?
C1 N1 C2 105.7(2) . . ?
C1 N1 B1 127.4(2) . . ?
C2 N1 B1 126.4(2) . . ?
C1 N2 C7 115.0(2) . . ?
C1 N2 Ru1 116.77(17) . . ?
C7 N2 Ru1 128.15(18) . . ?
C8 N3 C9 105.9(2) . . ?
C8 N3 B1 124.7(2) . . ?
C9 N3 B1 126.9(2) . . ?
C14 N4 C8 115.1(2) . . ?
C14 N4 Ru1 128.20(18) . . ?
C8 N4 Ru1 114.95(17) . . ?
N3 B1 N1 111.7(2) . . ?
N3 B1 C15 113.1(2) . . ?
N1 B1 C15 116.0(2) . . ?
N3 B1 H1 109.0(13) . . ?
N1 B1 H1 105.3(13) . . ?
C15 B1 H1 100.6(13) . . ?
N2 C1 N1 123.9(2) . . ?
N2 C1 C4 125.6(2) . . ?
N1 C1 C4 110.5(2) . . ?
C3 C2 N1 111.8(3) . . ?
C3 C2 H2A 124.1 . . ?
N1 C2 H2A 124.1 . . ?
C2 C3 C4 106.6(3) . . ?
C2 C3 H3 126.7 . . ?
C4 C3 H3 126.7 . . ?
C5 C4 C1 117.3(3) . . ?
C5 C4 C3 137.3(3) . . ?
C1 C4 C3 105.4(2) . . ?
C6 C5 C4 117.8(3) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C5 C6 C7 120.6(3) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
N2 C7 C6 123.8(3) . . ?
N2 C7 H7 118.1 . . ?
C6 C7 H7 118.1 . . ?
N4 C8 N3 123.2(2) . . ?
N4 C8 C11 126.2(2) . . ?
N3 C8 C11 110.6(2) . . ?
C10 C9 N3 111.2(3) . . ?
C10 C9 H9 124.4 . . ?
N3 C9 H9 124.4 . . ?
C9 C10 C11 106.9(2) . . ?
C9 C10 H10 126.5 . . ?
C11 C10 H10 126.5 . . ?
C12 C11 C8 117.0(3) . . ?
C12 C11 C10 137.6(3) . . ?
C8 C11 C10 105.4(2) . . ?
C13 C12 C11 117.5(3) . . ?
C13 C12 H12 121.2 . . ?
C11 C12 H12 121.2 . . ?
C12 C13 C14 121.4(3) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
N4 C14 C13 122.7(3) . . ?
N4 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
C20 C15 C16 116.9(3) . . ?
C20 C15 B1 122.8(3) . . ?
C16 C15 B1 119.9(3) . . ?
C17 C16 C15 122.0(3) . . ?
C17 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
C18 C17 C16 119.9(3) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C17 119.2(3) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 C20 121.1(3) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C15 C20 C19 120.8(3) . . ?
C15 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 Ru1 130.0(2) . . ?
C22 C21 H21 115.0 . . ?
Ru1 C21 H21 115.0 . . ?
C27 C22 C23 118.3(3) . . ?
C27 C22 C21 122.3(2) . . ?
C23 C22 C21 119.4(2) . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 119.9(3) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C25 C24 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 120.3(3) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C22 120.4(3) . . ?
C26 C27 H27 119.8 . . ?
C22 C27 H27 119.8 . . ?
C29 C28 C33 109.7(2) . . ?
C29 C28 P1 114.5(2) . . ?
C33 C28 P1 116.22(19) . . ?
C29 C28 H28 105.1 . . ?
C33 C28 H28 105.1 . . ?
P1 C28 H28 105.1 . . ?
C30 C29 C28 109.7(3) . . ?
C30 C29 H29A 109.7 . . ?
C28 C29 H29A 109.7 . . ?
C30 C29 H29B 109.7 . . ?
C28 C29 H29B 109.7 . . ?
H29A C29 H29B 108.2 . . ?
C29 C30 C31 111.1(2) . . ?
C29 C30 H30A 109.4 . . ?
C31 C30 H30A 109.4 . . ?
C29 C30 H30B 109.4 . . ?
C31 C30 H30B 109.4 . . ?
H30A C30 H30B 108.0 . . ?
C32 C31 C30 111.3(3) . . ?
C32 C31 H31A 109.4 . . ?
C30 C31 H31A 109.4 . . ?
C32 C31 H31B 109.4 . . ?
C30 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C31 C32 C33 111.9(3) . . ?
C31 C32 H32A 109.2 . . ?
C33 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
C33 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C32 C33 C28 110.2(2) . . ?
C32 C33 H33A 109.6 . . ?
C28 C33 H33A 109.6 . . ?
C32 C33 H33B 109.6 . . ?
C28 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
C35 C34 C39 107.3(2) . . ?
C35 C34 P1 114.18(19) . . ?
C39 C34 P1 117.22(19) . . ?
C35 C34 H34 105.7 . . ?
C39 C34 H34 105.7 . . ?
P1 C34 H34 105.7 . . ?
C36 C35 C34 111.3(2) . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C37 110.4(3) . . ?
C35 C36 H36A 109.6 . . ?
C37 C36 H36A 109.6 . . ?
C35 C36 H36B 109.6 . . ?
C37 C36 H36B 109.6 . . ?
H36A C36 H36B 108.1 . . ?
C38 C37 C36 111.5(3) . . ?
C38 C37 H37A 109.3 . . ?
C36 C37 H37A 109.3 . . ?
C38 C37 H37B 109.3 . . ?
C36 C37 H37B 109.3 . . ?
H37A C37 H37B 108.0 . . ?
C37 C38 C39 112.7(3) . . ?
C37 C38 H38A 109.1 . . ?
C39 C38 H38A 109.1 . . ?
C37 C38 H38B 109.1 . . ?
C39 C38 H38B 109.1 . . ?
H38A C38 H38B 107.8 . . ?
C38 C39 C34 110.5(2) . . ?
C38 C39 H39A 109.6 . . ?
C34 C39 H39A 109.6 . . ?
C38 C39 H39B 109.6 . . ?
C34 C39 H39B 109.6 . . ?
H39A C39 H39B 108.1 . . ?
C45 C40 C41 111.6(2) . . ?
C45 C40 P1 109.39(18) . . ?
C41 C40 P1 112.51(18) . . ?
C45 C40 H40 107.7 . . ?
C41 C40 H40 107.7 . . ?
P1 C40 H40 107.7 . . ?
C42 C41 C40 110.7(2) . . ?
C42 C41 H41A 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
C43 C42 C41 112.2(2) . . ?
C43 C42 H42A 109.2 . . ?
C41 C42 H42A 109.2 . . ?
C43 C42 H42B 109.2 . . ?
C41 C42 H42B 109.2 . . ?
H42A C42 H42B 107.9 . . ?
C42 C43 C44 110.2(3) . . ?
C42 C43 H43A 109.6 . . ?
C44 C43 H43A 109.6 . . ?
C42 C43 H43B 109.6 . . ?
C44 C43 H43B 109.6 . . ?
H43A C43 H43B 108.1 . . ?
C43 C44 C45 111.0(2) . . ?
C43 C44 H44A 109.4 . . ?
C45 C44 H44A 109.4 . . ?
C43 C44 H44B 109.4 . . ?
C45 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C44 C45 C40 113.5(2) . . ?
C44 C45 H45A 108.9 . . ?
C40 C45 H45A 108.9 . . ?
C44 C45 H45B 108.9 . . ?
C40 C45 H45B 108.9 . . ?
H45A C45 H45B 107.7 . . ?
C66 Ru2 N8 87.08(10) . . ?
C66 Ru2 N6 162.23(9) . . ?
N8 Ru2 N6 80.82(8) . . ?
C66 Ru2 P2 89.49(8) . . ?
N8 Ru2 P2 176.57(6) . . ?
N6 Ru2 P2 102.51(6) . . ?
C66 Ru2 Cl2 104.40(8) . . ?
N8 Ru2 Cl2 89.88(6) . . ?
N6 Ru2 Cl2 88.64(6) . . ?
P2 Ru2 Cl2 91.02(2) . . ?
C66 Ru2 H2 83.8(10) . . ?
N8 Ru2 H2 96.2(10) . . ?
N6 Ru2 H2 84.7(10) . . ?
P2 Ru2 H2 83.3(10) . . ?
Cl2 Ru2 H2 170.1(10) . . ?
C73 P2 C79 102.08(12) . . ?
C73 P2 C85 102.68(12) . . ?
C79 P2 C85 109.13(13) . . ?
C73 P2 Ru2 115.17(9) . . ?
C79 P2 Ru2 112.79(9) . . ?
C85 P2 Ru2 113.90(9) . . ?
C46 N5 C47 106.1(2) . . ?
C46 N5 B2 125.3(2) . . ?
C47 N5 B2 128.0(2) . . ?
C46 N6 C52 115.0(2) . . ?
C46 N6 Ru2 116.71(17) . . ?
C52 N6 Ru2 128.34(18) . . ?
C53 N7 C54 105.7(2) . . ?
C53 N7 B2 125.3(2) . . ?
C54 N7 B2 127.0(2) . . ?
C53 N8 C59 115.1(2) . . ?
C53 N8 Ru2 115.75(17) . . ?
C59 N8 Ru2 128.34(18) . . ?
N5 B2 N7 112.0(2) . . ?
N5 B2 C60 115.7(2) . . ?
N7 B2 C60 112.0(2) . . ?
N5 B2 H2 103.7(13) . . ?
N7 B2 H2 114.4(13) . . ?
C60 B2 H2 97.9(13) . . ?
N6 C46 N5 124.3(2) . . ?
N6 C46 C49 125.9(2) . . ?
N5 C46 C49 109.7(2) . . ?
C48 C47 N5 111.8(3) . . ?
C48 C47 H47 124.1 . . ?
N5 C47 H47 124.1 . . ?
C47 C48 C49 106.6(3) . . ?
C47 C48 H48 126.7 . . ?
C49 C48 H48 126.7 . . ?
C50 C49 C46 116.9(3) . . ?
C50 C49 C48 137.3(3) . . ?
C46 C49 C48 105.8(2) . . ?
C51 C50 C49 117.8(3) . . ?
C51 C50 H50 121.1 . . ?
C49 C50 H50 121.1 . . ?
C50 C51 C52 120.9(3) . . ?
C50 C51 H51 119.6 . . ?
C52 C51 H51 119.6 . . ?
N6 C52 C51 123.4(3) . . ?
N6 C52 H52 118.3 . . ?
C51 C52 H52 118.3 . . ?
N8 C53 N7 123.2(2) . . ?
N8 C53 C56 126.0(2) . . ?
N7 C53 C56 110.7(2) . . ?
C55 C54 N7 111.5(3) . . ?
C55 C54 H54 124.3 . . ?
N7 C54 H54 124.3 . . ?
C54 C55 C56 106.7(2) . . ?
C54 C55 H55 126.7 . . ?
C56 C55 H55 126.7 . . ?
C57 C56 C53 116.9(3) . . ?
C57 C56 C55 137.7(3) . . ?
C53 C56 C55 105.4(2) . . ?
C58 C57 C56 118.2(3) . . ?
C58 C57 H57 120.9 . . ?
C56 C57 H57 120.9 . . ?
C57 C58 C59 120.5(3) . . ?
C57 C58 H58 119.8 . . ?
C59 C58 H58 119.8 . . ?
N8 C59 C58 123.3(2) . . ?
N8 C59 H59 118.4 . . ?
C58 C59 H59 118.4 . . ?
C65 C60 C61 116.9(3) . . ?
C65 C60 B2 123.7(2) . . ?
C61 C60 B2 119.0(2) . . ?
C62 C61 C60 121.6(3) . . ?
C62 C61 H61 119.2 . . ?
C60 C61 H61 119.2 . . ?
C63 C62 C61 120.2(3) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C64 C63 C62 119.4(3) . . ?
C64 C63 H63 120.3 . . ?
C62 C63 H63 120.3 . . ?
C63 C64 C65 120.3(3) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C64 C65 C60 121.6(3) . . ?
C64 C65 H65 119.2 . . ?
C60 C65 H65 119.2 . . ?
C67 C66 Ru2 132.6(2) . . ?
C67 C66 H66 113.7 . . ?
Ru2 C66 H66 113.7 . . ?
C68 C67 C72 118.0(3) . . ?
C68 C67 C66 123.5(2) . . ?
C72 C67 C66 118.5(2) . . ?
C69 C68 C67 120.4(3) . . ?
C69 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?
C68 C69 C70 120.4(3) . . ?
C68 C69 H69 119.8 . . ?
C70 C69 H69 119.8 . . ?
C69 C70 C71 120.6(3) . . ?
C69 C70 H70 119.7 . . ?
C71 C70 H70 119.7 . . ?
C72 C71 C70 119.1(3) . . ?
C72 C71 H71 120.5 . . ?
C70 C71 H71 120.5 . . ?
C71 C72 C67 121.5(3) . . ?
C71 C72 H72 119.2 . . ?
C67 C72 H72 119.2 . . ?
C74 C73 C78 110.4(2) . . ?
C74 C73 P2 111.67(18) . . ?
C78 C73 P2 112.41(19) . . ?
C74 C73 H73 107.4 . . ?
C78 C73 H73 107.4 . . ?
P2 C73 H73 107.4 . . ?
C75 C74 C73 111.8(2) . . ?
C75 C74 H74A 109.3 . . ?
C73 C74 H74A 109.3 . . ?
C75 C74 H74B 109.3 . . ?
C73 C74 H74B 109.3 . . ?
H74A C74 H74B 107.9 . . ?
C76 C75 C74 110.4(3) . . ?
C76 C75 H75A 109.6 . . ?
C74 C75 H75A 109.6 . . ?
C76 C75 H75B 109.6 . . ?
C74 C75 H75B 109.6 . . ?
H75A C75 H75B 108.1 . . ?
C75 C76 C77 111.0(3) . . ?
C75 C76 H76A 109.4 . . ?
C77 C76 H76A 109.4 . . ?
C75 C76 H76B 109.4 . . ?
C77 C76 H76B 109.4 . . ?
H76A C76 H76B 108.0 . . ?
C76 C77 C78 112.4(3) . . ?
C76 C77 H77A 109.1 . . ?
C78 C77 H77A 109.1 . . ?
C76 C77 H77B 109.1 . . ?
C78 C77 H77B 109.1 . . ?
H77A C77 H77B 107.9 . . ?
C77 C78 C73 111.1(2) . . ?
C77 C78 H78A 109.4 . . ?
C73 C78 H78A 109.4 . . ?
C77 C78 H78B 109.4 . . ?
C73 C78 H78B 109.4 . . ?
H78A C78 H78B 108.0 . . ?
C84 C79 C80 110.2(2) . . ?
C84 C79 P2 116.10(18) . . ?
C80 C79 P2 116.75(19) . . ?
C84 C79 H79 104.0 . . ?
C80 C79 H79 104.0 . . ?
P2 C79 H79 104.0 . . ?
C81 C80 C79 108.9(2) . . ?
C81 C80 H80A 109.9 . . ?
C79 C80 H80A 109.9 . . ?
C81 C80 H80B 109.9 . . ?
C79 C80 H80B 109.9 . . ?
H80A C80 H80B 108.3 . . ?
C82 C81 C80 110.9(3) . . ?
C82 C81 H81A 109.5 . . ?
C80 C81 H81A 109.5 . . ?
C82 C81 H81B 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 108.0 . . ?
C81 C82 C83 110.8(2) . . ?
C81 C82 H82A 109.5 . . ?
C83 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C83 C82 H82B 109.5 . . ?
H82A C82 H82B 108.1 . . ?
C82 C83 C84 110.6(2) . . ?
C82 C83 H83A 109.5 . . ?
C84 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
C84 C83 H83B 109.5 . . ?
H83A C83 H83B 108.1 . . ?
C83 C84 C79 110.3(2) . . ?
C83 C84 H84A 109.6 . . ?
C79 C84 H84A 109.6 . . ?
C83 C84 H84B 109.6 . . ?
C79 C84 H84B 109.6 . . ?
H84A C84 H84B 108.1 . . ?
C90 C85 C86 107.2(2) . . ?
C90 C85 P2 113.45(18) . . ?
C86 C85 P2 117.35(19) . . ?
C90 C85 H85 106.0 . . ?
C86 C85 H85 106.0 . . ?
P2 C85 H85 106.0 . . ?
C87 C86 C85 109.7(2) . . ?
C87 C86 H86A 109.7 . . ?
C85 C86 H86A 109.7 . . ?
C87 C86 H86B 109.7 . . ?
C85 C86 H86B 109.7 . . ?
H86A C86 H86B 108.2 . . ?
C88 C87 C86 111.8(2) . . ?
C88 C87 H87A 109.3 . . ?
C86 C87 H87A 109.3 . . ?
C88 C87 H87B 109.3 . . ?
C86 C87 H87B 109.3 . . ?
H87A C87 H87B 107.9 . . ?
C87 C88 C89 110.3(2) . . ?
C87 C88 H88A 109.6 . . ?
C89 C88 H88A 109.6 . . ?
C87 C88 H88B 109.6 . . ?
C89 C88 H88B 109.6 . . ?
H88A C88 H88B 108.1 . . ?
C90 C89 C88 111.0(2) . . ?
C90 C89 H89A 109.4 . . ?
C88 C89 H89A 109.4 . . ?
C90 C89 H89B 109.4 . . ?
C88 C89 H89B 109.4 . . ?
H89A C89 H89B 108.0 . . ?
C89 C90 C85 110.8(2) . . ?
C89 C90 H90A 109.5 . . ?
C85 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
C85 C90 H90B 109.5 . . ?
H90A C90 H90B 108.1 . . ?
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 C21 1.885(3) . ?
Ru1 N4 2.185(2) . ?
Ru1 N2 2.234(2) . ?
Ru1 P1 2.3640(7) . ?
Ru1 Cl1 2.4128(6) . ?
Ru1 H1 1.64(3) . ?
P1 C28 1.852(3) . ?
P1 C40 1.860(3) . ?
P1 C34 1.876(3) . ?
N1 C1 1.366(3) . ?
N1 C2 1.394(3) . ?
N1 B1 1.539(4) . ?
N2 C1 1.344(3) . ?
N2 C7 1.345(3) . ?
N3 C8 1.369(3) . ?
N3 C9 1.392(3) . ?
N3 B1 1.528(4) . ?
N4 C14 1.344(3) . ?
N4 C8 1.349(3) . ?
B1 C15 1.606(4) . ?
B1 H1 1.25(3) . ?
C1 C4 1.421(4) . ?
C2 C3 1.362(4) . ?
C2 H2A 0.9500 . ?
C3 C4 1.433(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(4) . ?
C5 C6 1.380(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.395(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C11 1.407(4) . ?
C9 C10 1.359(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.434(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(4) . ?
C12 C13 1.379(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.398(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C20 1.393(4) . ?
C15 C16 1.400(4) . ?
C16 C17 1.392(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.376(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.459(4) . ?
C21 H21 0.9500 . ?
C22 C27 1.402(4) . ?
C22 C23 1.409(4) . ?
C23 C24 1.384(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.378(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.540(4) . ?
C28 C33 1.541(4) . ?
C28 H28 1.0000 . ?
C29 C30 1.523(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.524(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.519(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.533(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.542(4) . ?
C34 C39 1.545(4) . ?
C34 H34 1.0000 . ?
C35 C36 1.524(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.528(5) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.519(5) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.534(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C45 1.534(4) . ?
C40 C41 1.539(4) . ?
C40 H40 1.0000 . ?
C41 C42 1.534(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.517(5) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.518(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.528(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
Ru2 C66 1.888(3) . ?
Ru2 N8 2.163(2) . ?
Ru2 N6 2.245(2) . ?
Ru2 P2 2.3675(7) . ?
Ru2 Cl2 2.3951(6) . ?
Ru2 H2 1.68(3) . ?
P2 C73 1.857(3) . ?
P2 C79 1.855(3) . ?
P2 C85 1.880(3) . ?
N5 C46 1.372(3) . ?
N5 C47 1.385(4) . ?
N5 B2 1.535(4) . ?
N6 C46 1.342(3) . ?
N6 C52 1.346(3) . ?
N7 C53 1.367(3) . ?
N7 C54 1.393(3) . ?
N7 B2 1.541(4) . ?
N8 C53 1.344(3) . ?
N8 C59 1.348(3) . ?
B2 C60 1.605(4) . ?
B2 H2 1.26(3) . ?
C46 C49 1.422(4) . ?
C47 C48 1.363(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.427(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.394(4) . ?
C50 C51 1.381(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.395(4) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C56 1.410(4) . ?
C54 C55 1.362(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.433(4) . ?
C55 H55 0.9500 . ?
C56 C57 1.395(4) . ?
C57 C58 1.380(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.395(4) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 C65 1.398(4) . ?
C60 C61 1.405(4) . ?
C61 C62 1.388(4) . ?
C61 H61 0.9500 . ?
C62 C63 1.386(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.382(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.390(4) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66 C67 1.458(4) . ?
C66 H66 0.9500 . ?
C67 C68 1.404(4) . ?
C67 C72 1.406(4) . ?
C68 C69 1.384(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.383(4) . ?
C69 H69 0.9500 . ?
C70 C71 1.390(4) . ?
C70 H70 0.9500 . ?
C71 C72 1.383(4) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C74 1.533(4) . ?
C73 C78 1.542(4) . ?
C73 H73 1.0000 . ?
C74 C75 1.529(4) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.521(4) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.522(5) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.530(4) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C84 1.537(4) . ?
C79 C80 1.538(4) . ?
C79 H79 1.0000 . ?
C80 C81 1.535(4) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.514(5) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.522(4) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.535(4) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C90 1.540(4) . ?
C85 C86 1.552(4) . ?
C85 H85 1.0000 . ?
C86 C87 1.531(4) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.524(4) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C89 1.526(4) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 C90 1.527(4) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
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
C21 Ru1 P1 C28 84.05(13) . . . . ?
N4 Ru1 P1 C28 95.6(5) . . . . ?
N2 Ru1 P1 C28 -108.88(12) . . . . ?
Cl1 Ru1 P1 C28 -21.57(11) . . . . ?
C21 Ru1 P1 C40 -157.90(12) . . . . ?
N4 Ru1 P1 C40 -146.4(5) . . . . ?
N2 Ru1 P1 C40 9.16(11) . . . . ?
Cl1 Ru1 P1 C40 96.47(9) . . . . ?
C21 Ru1 P1 C34 -40.43(12) . . . . ?
N4 Ru1 P1 C34 -28.9(5) . . . . ?
N2 Ru1 P1 C34 126.63(11) . . . . ?
Cl1 Ru1 P1 C34 -146.06(10) . . . . ?
C21 Ru1 N2 C1 35.6(4) . . . . ?
N4 Ru1 N2 C1 76.29(19) . . . . ?
P1 Ru1 N2 C1 -100.96(18) . . . . ?
Cl1 Ru1 N2 C1 168.04(18) . . . . ?
C21 Ru1 N2 C7 -140.2(3) . . . . ?
N4 Ru1 N2 C7 -99.5(2) . . . . ?
P1 Ru1 N2 C7 83.2(2) . . . . ?
Cl1 Ru1 N2 C7 -7.8(2) . . . . ?
C21 Ru1 N4 C14 -95.5(2) . . . . ?
N2 Ru1 N4 C14 96.9(2) . . . . ?
P1 Ru1 N4 C14 -107.1(5) . . . . ?
Cl1 Ru1 N4 C14 10.1(2) . . . . ?
C21 Ru1 N4 C8 68.70(19) . . . . ?
N2 Ru1 N4 C8 -98.94(18) . . . . ?
P1 Ru1 N4 C8 57.1(6) . . . . ?
Cl1 Ru1 N4 C8 174.25(17) . . . . ?
C8 N3 B1 N1 68.4(3) . . . . ?
C9 N3 B1 N1 -91.0(3) . . . . ?
C8 N3 B1 C15 -158.6(2) . . . . ?
C9 N3 B1 C15 42.0(4) . . . . ?
C1 N1 B1 N3 -89.8(3) . . . . ?
C2 N1 B1 N3 81.5(3) . . . . ?
C1 N1 B1 C15 138.7(3) . . . . ?
C2 N1 B1 C15 -50.0(4) . . . . ?
C7 N2 C1 N1 179.5(2) . . . . ?
Ru1 N2 C1 N1 3.1(3) . . . . ?
C7 N2 C1 C4 -1.1(4) . . . . ?
Ru1 N2 C1 C4 -177.5(2) . . . . ?
C2 N1 C1 N2 -179.3(2) . . . . ?
B1 N1 C1 N2 -6.6(4) . . . . ?
C2 N1 C1 C4 1.2(3) . . . . ?
B1 N1 C1 C4 174.0(2) . . . . ?
C1 N1 C2 C3 -0.9(3) . . . . ?
B1 N1 C2 C3 -173.8(3) . . . . ?
N1 C2 C3 C4 0.3(3) . . . . ?
N2 C1 C4 C5 0.6(4) . . . . ?
N1 C1 C4 C5 -180.0(2) . . . . ?
N2 C1 C4 C3 179.5(3) . . . . ?
N1 C1 C4 C3 -1.1(3) . . . . ?
C2 C3 C4 C5 179.0(3) . . . . ?
C2 C3 C4 C1 0.5(3) . . . . ?
C1 C4 C5 C6 0.1(4) . . . . ?
C3 C4 C5 C6 -178.3(3) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C1 N2 C7 C6 1.1(4) . . . . ?
Ru1 N2 C7 C6 176.9(2) . . . . ?
C5 C6 C7 N2 -0.5(4) . . . . ?
C14 N4 C8 N3 -179.7(2) . . . . ?
Ru1 N4 C8 N3 14.0(3) . . . . ?
C14 N4 C8 C11 1.7(4) . . . . ?
Ru1 N4 C8 C11 -164.6(2) . . . . ?
C9 N3 C8 N4 179.3(2) . . . . ?
B1 N3 C8 N4 16.3(4) . . . . ?
C9 N3 C8 C11 -1.9(3) . . . . ?
B1 N3 C8 C11 -164.9(2) . . . . ?
C8 N3 C9 C10 2.2(3) . . . . ?
B1 N3 C9 C10 164.7(3) . . . . ?
N3 C9 C10 C11 -1.6(3) . . . . ?
N4 C8 C11 C12 -1.3(4) . . . . ?
N3 C8 C11 C12 179.9(2) . . . . ?
N4 C8 C11 C10 179.7(3) . . . . ?
N3 C8 C11 C10 0.9(3) . . . . ?
C9 C10 C11 C12 -178.2(3) . . . . ?
C9 C10 C11 C8 0.4(3) . . . . ?
C8 C11 C12 C13 -0.1(4) . . . . ?
C10 C11 C12 C13 178.5(3) . . . . ?
C11 C12 C13 C14 0.9(4) . . . . ?
C8 N4 C14 C13 -0.8(4) . . . . ?
Ru1 N4 C14 C13 163.3(2) . . . . ?
C12 C13 C14 N4 -0.4(4) . . . . ?
N3 B1 C15 C20 -149.0(3) . . . . ?
N1 B1 C15 C20 -18.1(4) . . . . ?
N3 B1 C15 C16 38.5(4) . . . . ?
N1 B1 C15 C16 169.4(2) . . . . ?
C20 C15 C16 C17 -1.0(4) . . . . ?
B1 C15 C16 C17 171.9(3) . . . . ?
C15 C16 C17 C18 -0.1(5) . . . . ?
C16 C17 C18 C19 0.9(5) . . . . ?
C17 C18 C19 C20 -0.6(5) . . . . ?
C16 C15 C20 C19 1.3(4) . . . . ?
B1 C15 C20 C19 -171.4(3) . . . . ?
C18 C19 C20 C15 -0.5(5) . . . . ?
N4 Ru1 C21 C22 45.6(2) . . . . ?
N2 Ru1 C21 C22 86.3(4) . . . . ?
P1 Ru1 C21 C22 -135.7(2) . . . . ?
Cl1 Ru1 C21 C22 -43.8(3) . . . . ?
Ru1 C21 C22 C27 39.4(4) . . . . ?
Ru1 C21 C22 C23 -141.2(2) . . . . ?
C27 C22 C23 C24 -1.0(4) . . . . ?
C21 C22 C23 C24 179.6(3) . . . . ?
C22 C23 C24 C25 2.5(5) . . . . ?
C23 C24 C25 C26 -1.8(5) . . . . ?
C24 C25 C26 C27 -0.4(5) . . . . ?
C25 C26 C27 C22 1.9(5) . . . . ?
C23 C22 C27 C26 -1.2(4) . . . . ?
C21 C22 C27 C26 178.2(3) . . . . ?
C40 P1 C28 C29 -179.6(2) . . . . ?
C34 P1 C28 C29 71.7(2) . . . . ?
Ru1 P1 C28 C29 -55.4(2) . . . . ?
C40 P1 C28 C33 50.9(2) . . . . ?
C34 P1 C28 C33 -57.8(2) . . . . ?
Ru1 P1 C28 C33 175.10(19) . . . . ?
C33 C28 C29 C30 -59.7(3) . . . . ?
P1 C28 C29 C30 167.6(2) . . . . ?
C28 C29 C30 C31 58.7(4) . . . . ?
C29 C30 C31 C32 -56.0(4) . . . . ?
C30 C31 C32 C33 54.3(4) . . . . ?
C31 C32 C33 C28 -55.4(4) . . . . ?
C29 C28 C33 C32 57.8(3) . . . . ?
P1 C28 C33 C32 -170.4(2) . . . . ?
C28 P1 C34 C35 -46.7(2) . . . . ?
C40 P1 C34 C35 -155.8(2) . . . . ?
Ru1 P1 C34 C35 80.1(2) . . . . ?
C28 P1 C34 C39 80.0(2) . . . . ?
C40 P1 C34 C39 -29.1(2) . . . . ?
Ru1 P1 C34 C39 -153.17(18) . . . . ?
C39 C34 C35 C36 61.4(3) . . . . ?
P1 C34 C35 C36 -166.9(2) . . . . ?
C34 C35 C36 C37 -59.4(3) . . . . ?
C35 C36 C37 C38 53.7(4) . . . . ?
C36 C37 C38 C39 -52.7(4) . . . . ?
C37 C38 C39 C34 55.9(3) . . . . ?
C35 C34 C39 C38 -58.6(3) . . . . ?
P1 C34 C39 C38 171.4(2) . . . . ?
C28 P1 C40 C45 178.78(19) . . . . ?
C34 P1 C40 C45 -68.1(2) . . . . ?
Ru1 P1 C40 C45 55.4(2) . . . . ?
C28 P1 C40 C41 54.2(2) . . . . ?
C34 P1 C40 C41 167.2(2) . . . . ?
Ru1 P1 C40 C41 -69.2(2) . . . . ?
C45 C40 C41 C42 51.0(3) . . . . ?
P1 C40 C41 C42 174.4(2) . . . . ?
C40 C41 C42 C43 -56.0(3) . . . . ?
C41 C42 C43 C44 58.9(3) . . . . ?
C42 C43 C44 C45 -56.5(3) . . . . ?
C43 C44 C45 C40 53.6(3) . . . . ?
C41 C40 C45 C44 -50.9(3) . . . . ?
P1 C40 C45 C44 -176.03(19) . . . . ?
C66 Ru2 P2 C73 -160.18(12) . . . . ?
N8 Ru2 P2 C73 -159.3(10) . . . . ?
N6 Ru2 P2 C73 6.60(11) . . . . ?
Cl2 Ru2 P2 C73 95.43(10) . . . . ?
C66 Ru2 P2 C79 83.19(12) . . . . ?
N8 Ru2 P2 C79 84.1(10) . . . . ?
N6 Ru2 P2 C79 -110.03(11) . . . . ?
Cl2 Ru2 P2 C79 -21.20(10) . . . . ?
C66 Ru2 P2 C85 -41.92(12) . . . . ?
N8 Ru2 P2 C85 -41.0(10) . . . . ?
N6 Ru2 P2 C85 124.86(11) . . . . ?
Cl2 Ru2 P2 C85 -146.31(10) . . . . ?
C66 Ru2 N6 C46 36.9(4) . . . . ?
N8 Ru2 N6 C46 84.62(19) . . . . ?
P2 Ru2 N6 C46 -94.53(18) . . . . ?
Cl2 Ru2 N6 C46 174.73(18) . . . . ?
C66 Ru2 N6 C52 -143.1(3) . . . . ?
N8 Ru2 N6 C52 -95.4(2) . . . . ?
P2 Ru2 N6 C52 85.4(2) . . . . ?
Cl2 Ru2 N6 C52 -5.3(2) . . . . ?
C66 Ru2 N8 C53 72.5(2) . . . . ?
N6 Ru2 N8 C53 -94.5(2) . . . . ?
P2 Ru2 N8 C53 71.6(11) . . . . ?
Cl2 Ru2 N8 C53 176.88(19) . . . . ?
C66 Ru2 N8 C59 -96.7(2) . . . . ?
N6 Ru2 N8 C59 96.4(2) . . . . ?
P2 Ru2 N8 C59 -97.6(10) . . . . ?
Cl2 Ru2 N8 C59 7.7(2) . . . . ?
C46 N5 B2 N7 -83.7(3) . . . . ?
C47 N5 B2 N7 86.4(3) . . . . ?
C46 N5 B2 C60 146.3(2) . . . . ?
C47 N5 B2 C60 -43.7(4) . . . . ?
C53 N7 B2 N5 73.5(3) . . . . ?
C54 N7 B2 N5 -87.7(3) . . . . ?
C53 N7 B2 C60 -154.5(2) . . . . ?
C54 N7 B2 C60 44.2(4) . . . . ?
C52 N6 C46 N5 177.8(2) . . . . ?
Ru2 N6 C46 N5 -2.2(3) . . . . ?
C52 N6 C46 C49 -4.9(4) . . . . ?
Ru2 N6 C46 C49 175.0(2) . . . . ?
C47 N5 C46 N6 179.1(3) . . . . ?
B2 N5 C46 N6 -9.0(4) . . . . ?
C47 N5 C46 C49 1.5(3) . . . . ?
B2 N5 C46 C49 173.4(2) . . . . ?
C46 N5 C47 C48 -1.6(3) . . . . ?
B2 N5 C47 C48 -173.2(3) . . . . ?
N5 C47 C48 C49 1.1(4) . . . . ?
N6 C46 C49 C50 3.1(4) . . . . ?
N5 C46 C49 C50 -179.3(2) . . . . ?
N6 C46 C49 C48 -178.5(3) . . . . ?
N5 C46 C49 C48 -0.9(3) . . . . ?
C47 C48 C49 C50 177.8(3) . . . . ?
C47 C48 C49 C46 -0.1(3) . . . . ?
C46 C49 C50 C51 0.7(4) . . . . ?
C48 C49 C50 C51 -177.0(3) . . . . ?
C49 C50 C51 C52 -2.4(4) . . . . ?
C46 N6 C52 C51 3.0(4) . . . . ?
Ru2 N6 C52 C51 -176.92(19) . . . . ?
C50 C51 C52 N6 0.5(4) . . . . ?
C59 N8 C53 N7 -179.4(2) . . . . ?
Ru2 N8 C53 N7 10.0(3) . . . . ?
C59 N8 C53 C56 2.0(4) . . . . ?
Ru2 N8 C53 C56 -168.6(2) . . . . ?
C54 N7 C53 N8 -179.5(3) . . . . ?
B2 N7 C53 N8 16.0(4) . . . . ?
C54 N7 C53 C56 -0.8(3) . . . . ?
B2 N7 C53 C56 -165.3(2) . . . . ?
C53 N7 C54 C55 1.3(3) . . . . ?
B2 N7 C54 C55 165.5(3) . . . . ?
N7 C54 C55 C56 -1.4(3) . . . . ?
N8 C53 C56 C57 -1.1(4) . . . . ?
N7 C53 C56 C57 -179.8(3) . . . . ?
N8 C53 C56 C55 178.7(3) . . . . ?
N7 C53 C56 C55 0.0(3) . . . . ?
C54 C55 C56 C57 -179.4(3) . . . . ?
C54 C55 C56 C53 0.8(3) . . . . ?
C53 C56 C57 C58 -1.3(4) . . . . ?
C55 C56 C57 C58 179.0(3) . . . . ?
C56 C57 C58 C59 2.6(4) . . . . ?
C53 N8 C59 C58 -0.6(4) . . . . ?
Ru2 N8 C59 C58 168.7(2) . . . . ?
C57 C58 C59 N8 -1.8(4) . . . . ?
N5 B2 C60 C65 -21.0(4) . . . . ?
N7 B2 C60 C65 -151.1(3) . . . . ?
N5 B2 C60 C61 166.6(2) . . . . ?
N7 B2 C60 C61 36.5(3) . . . . ?
C65 C60 C61 C62 0.4(4) . . . . ?
B2 C60 C61 C62 173.3(3) . . . . ?
C60 C61 C62 C63 0.4(4) . . . . ?
C61 C62 C63 C64 -0.2(5) . . . . ?
C62 C63 C64 C65 -0.8(5) . . . . ?
C63 C64 C65 C60 1.6(4) . . . . ?
C61 C60 C65 C64 -1.3(4) . . . . ?
B2 C60 C65 C64 -173.9(3) . . . . ?
N8 Ru2 C66 C67 43.4(2) . . . . ?
N6 Ru2 C66 C67 90.3(4) . . . . ?
P2 Ru2 C66 C67 -136.7(2) . . . . ?
Cl2 Ru2 C66 C67 -45.8(3) . . . . ?
Ru2 C66 C67 C68 26.0(4) . . . . ?
Ru2 C66 C67 C72 -154.1(2) . . . . ?
C72 C67 C68 C69 0.2(4) . . . . ?
C66 C67 C68 C69 -179.9(2) . . . . ?
C67 C68 C69 C70 1.7(4) . . . . ?
C68 C69 C70 C71 -1.6(4) . . . . ?
C69 C70 C71 C72 -0.5(4) . . . . ?
C70 C71 C72 C67 2.5(4) . . . . ?
C68 C67 C72 C71 -2.4(4) . . . . ?
C66 C67 C72 C71 177.8(2) . . . . ?
C79 P2 C73 C74 -179.84(19) . . . . ?
C85 P2 C73 C74 -66.8(2) . . . . ?
Ru2 P2 C73 C74 57.6(2) . . . . ?
C79 P2 C73 C78 55.5(2) . . . . ?
C85 P2 C73 C78 168.53(19) . . . . ?
Ru2 P2 C73 C78 -67.1(2) . . . . ?
C78 C73 C74 C75 -56.0(3) . . . . ?
P2 C73 C74 C75 178.20(19) . . . . ?
C73 C74 C75 C76 57.4(3) . . . . ?
C74 C75 C76 C77 -56.3(3) . . . . ?
C75 C76 C77 C78 55.5(3) . . . . ?
C76 C77 C78 C73 -54.2(3) . . . . ?
C74 C73 C78 C77 53.7(3) . . . . ?
P2 C73 C78 C77 179.1(2) . . . . ?
C73 P2 C79 C84 179.3(2) . . . . ?
C85 P2 C79 C84 71.1(2) . . . . ?
Ru2 P2 C79 C84 -56.5(2) . . . . ?
C73 P2 C79 C80 46.6(2) . . . . ?
C85 P2 C79 C80 -61.5(2) . . . . ?
Ru2 P2 C79 C80 170.80(18) . . . . ?
C84 C79 C80 C81 58.7(3) . . . . ?
P2 C79 C80 C81 -166.0(2) . . . . ?
C79 C80 C81 C82 -59.0(3) . . . . ?
C80 C81 C82 C83 58.4(3) . . . . ?
C81 C82 C83 C84 -56.7(3) . . . . ?
C82 C83 C84 C79 56.5(3) . . . . ?
C80 C79 C84 C83 -58.0(3) . . . . ?
P2 C79 C84 C83 166.39(19) . . . . ?
C73 P2 C85 C90 -150.5(2) . . . . ?
C79 P2 C85 C90 -42.8(2) . . . . ?
Ru2 P2 C85 C90 84.3(2) . . . . ?
C73 P2 C85 C86 -24.6(2) . . . . ?
C79 P2 C85 C86 83.2(2) . . . . ?
Ru2 P2 C85 C86 -149.77(18) . . . . ?
C90 C85 C86 C87 -60.2(3) . . . . ?
P2 C85 C86 C87 170.78(19) . . . . ?
C85 C86 C87 C88 58.9(3) . . . . ?
C86 C87 C88 C89 -55.4(3) . . . . ?
C87 C88 C89 C90 54.9(3) . . . . ?
C88 C89 C90 C85 -59.2(3) . . . . ?
C86 C85 C90 C89 60.9(3) . . . . ?
P2 C85 C90 C89 -167.9(2) . . . . ?
