#------------------------------------------------------------------------------
#$Date: 2020-08-06 15:52:52 +0200 (jue 06 de ago de 2020) $
#$Revision: 254954 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/47/7704750.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_7704750
loop_
_publ_author_name
'Gericke, Robert'
'Wagler, Jörg'
_publ_section_title
;
 (2-Pyridyloxy)arsines as ligands in transition metal chemistry: a
 stepwise As(iii) → As(ii) → As(i) reduction.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10042
_journal_page_last               10051
_journal_paper_doi               10.1039/d0dt01538e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C46 H38 As Cl N2 O2 P2 Ru, 2 (C H Cl3)'
_chemical_formula_sum            'C48 H40 As Cl7 N2 O2 P2 Ru'
_chemical_formula_weight         1162.90
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                114.483(2)
_cell_angle_beta                 109.348(2)
_cell_angle_gamma                96.110(2)
_cell_formula_units_Z            4
_cell_length_a                   16.0117(5)
_cell_length_b                   17.9816(5)
_cell_length_c                   20.4442(6)
_cell_measurement_reflns_used    85847
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.38
_cell_measurement_theta_min      2.41
_cell_volume                     4846.5(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       '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  0.0365
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            100356
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        29.999
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         2.550
_exptl_absorpt_coefficient_mu    1.494
_exptl_absorpt_correction_T_max  0.7176
_exptl_absorpt_correction_T_min  0.5429
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XShape
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_description       block
_exptl_crystal_F_000             2336
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.742
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1299
_refine_ls_number_reflns         28253
_refine_ls_number_restraints     239
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0358P)²+4.5492P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0844
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23541
_reflns_number_total             28253
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01538e2.cif
_cod_data_source_block           RGP10202
_cod_depositor_comments
'Adding full bibliography for 7704746--7704751.cif.'
_cod_database_code               7704750
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.522
_shelx_estimated_absorpt_t_max   0.706
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.07084(2) 0.38538(2) 0.18831(2) 0.01992(3) Uani 1 1 d . . . . .
Ru2 Ru 0.62092(2) 0.84575(2) 0.18801(2) 0.01987(3) Uani 1 1 d . . . . .
As1 As 0.22269(2) 0.39779(2) 0.25937(2) 0.02688(5) Uani 1 1 d . . . . .
As2 As 0.53265(2) 0.83931(2) 0.25542(2) 0.02642(5) Uani 1 1 d . . . . .
P1 P 0.02571(3) 0.26812(3) 0.20415(3) 0.02166(9) Uani 1 1 d . . . . .
P2 P 0.05073(3) 0.49085(3) 0.29353(3) 0.02127(9) Uani 1 1 d . . . . .
P3 P 0.74486(3) 0.96248(3) 0.29521(3) 0.02124(9) Uani 1 1 d . . . . .
P4 P 0.67394(3) 0.73628(3) 0.20535(3) 0.02255(9) Uani 1 1 d . . . . .
Cl1 Cl -0.08340(3) 0.38478(3) 0.09746(3) 0.02777(9) Uani 1 1 d . . . . .
Cl2 Cl 0.69424(3) 0.86325(3) 0.10064(3) 0.02550(9) Uani 1 1 d . . . . .
N1 N 0.09257(12) 0.30103(11) 0.08894(10) 0.0253(3) Uani 1 1 d . . . . .
N2 N 0.13829(13) 0.48293(11) 0.17038(11) 0.0287(4) Uani 1 1 d . . . . .
N3 N 0.54409(11) 0.93330(11) 0.16968(10) 0.0249(3) Uani 1 1 d . . . . .
N4 N 0.49922(11) 0.75784(11) 0.08590(10) 0.0249(3) Uani 1 1 d . . . . .
O1 O 0.24716(11) 0.33410(11) 0.17013(10) 0.0352(4) Uani 1 1 d . . . . .
O2 O 0.27627(11) 0.50304(11) 0.26961(10) 0.0368(4) Uani 1 1 d . . . . .
O3 O 0.50241(11) 0.94375(11) 0.27075(10) 0.0331(3) Uani 1 1 d . . . . .
O4 O 0.41947(10) 0.77520(11) 0.16516(10) 0.0343(3) Uani 1 1 d . . . . .
C1 C 0.17785(15) 0.29127(14) 0.09896(13) 0.0284(4) Uani 1 1 d . . . . .
C2 C 0.19544(17) 0.23573(15) 0.03586(15) 0.0352(5) Uani 1 1 d . . . . .
H2 H 0.2561 0.2307 0.0442 0.042 Uiso 1 1 calc R U . . .
C3 C 0.12507(18) 0.18919(16) -0.03739(15) 0.0379(5) Uani 1 1 d . . . . .
H3 H 0.1359 0.1508 -0.0804 0.046 Uiso 1 1 calc R U . . .
C4 C 0.03687(18) 0.19873(17) -0.04840(14) 0.0397(5) Uani 1 1 d . . . . .
H4 H -0.0132 0.1671 -0.0990 0.048 Uiso 1 1 calc R U . . .
C5 C 0.02353(16) 0.25472(15) 0.01538(13) 0.0323(4) Uani 1 1 d . . . . .
H5 H -0.0366 0.2612 0.0075 0.039 Uiso 1 1 calc R U . . .
C6 C 0.22901(17) 0.52443(14) 0.21652(14) 0.0337(5) Uani 1 1 d . . . . .
C7 C 0.2759(2) 0.58944(17) 0.20968(18) 0.0494(7) Uani 1 1 d . . . . .
H7 H 0.3389 0.6191 0.2443 0.059 Uiso 1 1 calc R U . . .
C8 C 0.2304(3) 0.60980(18) 0.15285(19) 0.0551(8) Uani 1 1 d . . . . .
H8 H 0.2611 0.6537 0.1475 0.066 Uiso 1 1 calc R U . . .
C9 C 0.1386(2) 0.56547(18) 0.10314(18) 0.0476(7) Uani 1 1 d . . . . .
H9 H 0.1058 0.5778 0.0626 0.057 Uiso 1 1 calc R U . . .
C10 C 0.09553(19) 0.50316(16) 0.11334(15) 0.0363(5) Uani 1 1 d . . . . .
H10 H 0.0327 0.4729 0.0786 0.044 Uiso 1 1 calc R U . . .
C11 C 0.09739(15) 0.19419(13) 0.18124(14) 0.0300(4) Uani 1 1 d . . . . .
C12 C 0.07036(18) 0.13433(15) 0.10232(16) 0.0367(5) Uani 1 1 d . . . . .
H12 H 0.0155 0.1314 0.0633 0.044 Uiso 1 1 calc R U . . .
C13 C 0.1219(2) 0.07883(18) 0.0794(2) 0.0523(7) Uani 1 1 d . . . . .
H13 H 0.1021 0.0386 0.0253 0.063 Uiso 1 1 calc R U . . .
C14 C 0.2014(2) 0.0823(2) 0.1351(3) 0.0662(10) Uani 1 1 d . . . . .
H14 H 0.2368 0.0446 0.1197 0.079 Uiso 1 1 calc R U . . .
C15 C 0.2295(2) 0.1404(2) 0.2131(3) 0.0665(10) Uani 1 1 d . . . . .
H15 H 0.2845 0.1427 0.2516 0.080 Uiso 1 1 calc R U . . .
C16 C 0.17800(19) 0.19656(18) 0.23681(19) 0.0478(6) Uani 1 1 d . . . . .
H16 H 0.1983 0.2364 0.2911 0.057 Uiso 1 1 calc R U . . .
C17 C -0.08720(14) 0.18583(13) 0.14092(12) 0.0247(4) Uani 1 1 d . . . . .
C18 C -0.09715(16) 0.11021(13) 0.14600(13) 0.0300(4) Uani 1 1 d . . . . .
H18 H -0.0470 0.1035 0.1819 0.036 Uiso 1 1 calc R U . . .
C19 C -0.17912(17) 0.04512(15) 0.09939(15) 0.0359(5) Uani 1 1 d . . . . .
H19 H -0.1850 -0.0059 0.1032 0.043 Uiso 1 1 calc R U . . .
C20 C -0.25237(18) 0.05484(16) 0.04722(16) 0.0428(6) Uani 1 1 d . . . . .
H20 H -0.3086 0.0103 0.0151 0.051 Uiso 1 1 calc R U . . .
C21 C -0.24422(17) 0.12911(18) 0.04158(16) 0.0432(6) Uani 1 1 d . . . . .
H21 H -0.2950 0.1355 0.0060 0.052 Uiso 1 1 calc R U . . .
C22 C -0.16130(15) 0.19492(14) 0.08817(13) 0.0316(4) Uani 1 1 d . . . . .
H22 H -0.1557 0.2456 0.0838 0.038 Uiso 1 1 calc R U . . .
C23 C 0.03428(15) 0.28764(13) 0.30246(12) 0.0259(4) Uani 1 1 d . . . . .
C24 C -0.04428(16) 0.26649(14) 0.31406(13) 0.0307(4) Uani 1 1 d . . . . .
H24 H -0.1029 0.2405 0.2704 0.037 Uiso 1 1 calc R U . . .
C25 C -0.0379(2) 0.28290(16) 0.38866(15) 0.0392(5) Uani 1 1 d . . . . .
H25 H -0.0921 0.2694 0.3958 0.047 Uiso 1 1 calc R U . . .
C26 C 0.0472(2) 0.31881(17) 0.45224(15) 0.0451(6) Uani 1 1 d . . . . .
H26 H 0.0518 0.3288 0.5029 0.054 Uiso 1 1 calc R U . . .
C27 C 0.1258(2) 0.34026(16) 0.44203(14) 0.0435(6) Uani 1 1 d . . . . .
H27 H 0.1845 0.3641 0.4856 0.052 Uiso 1 1 calc R U . . .
C28 C 0.11950(17) 0.32720(15) 0.36854(13) 0.0338(5) Uani 1 1 d . . . . .
H28 H 0.1735 0.3452 0.3629 0.041 Uiso 1 1 calc R U . . .
C29 C -0.06657(13) 0.48039(13) 0.29101(11) 0.0236(4) Uani 1 1 d . . . . .
C30 C -0.13041(14) 0.40047(14) 0.25131(12) 0.0278(4) Uani 1 1 d . . . . .
H30 H -0.1128 0.3510 0.2266 0.033 Uiso 1 1 calc R U . . .
C31 C -0.21975(15) 0.39201(16) 0.24730(14) 0.0334(5) Uani 1 1 d . . . . .
H31 H -0.2622 0.3370 0.2205 0.040 Uiso 1 1 calc R U . . .
C32 C -0.24676(16) 0.46367(18) 0.28229(14) 0.0362(5) Uani 1 1 d . . . . .
H32 H -0.3079 0.4580 0.2789 0.043 Uiso 1 1 calc R U . . .
C33 C -0.18421(17) 0.54356(17) 0.32223(14) 0.0359(5) Uani 1 1 d . . . . .
H33 H -0.2024 0.5928 0.3466 0.043 Uiso 1 1 calc R U . . .
C34 C -0.09496(15) 0.55205(14) 0.32686(13) 0.0304(4) Uani 1 1 d . . . . .
H34 H -0.0525 0.6072 0.3547 0.036 Uiso 1 1 calc R U . . .
C35 C 0.07248(14) 0.59798(12) 0.30159(12) 0.0250(4) Uani 1 1 d . . . . .
C36 C 0.02049(15) 0.60604(14) 0.23628(13) 0.0290(4) Uani 1 1 d . . . . .
H36 H -0.0181 0.5564 0.1879 0.035 Uiso 1 1 calc R U . . .
C37 C 0.02460(17) 0.68573(15) 0.24121(15) 0.0358(5) Uani 1 1 d . . . . .
H37 H -0.0110 0.6904 0.1963 0.043 Uiso 1 1 calc R U . . .
C38 C 0.08069(19) 0.75853(16) 0.31158(17) 0.0430(6) Uani 1 1 d . . . . .
H38 H 0.0831 0.8131 0.3150 0.052 Uiso 1 1 calc R U . . .
C39 C 0.13292(19) 0.75163(16) 0.37651(17) 0.0452(6) Uani 1 1 d . . . . .
H39 H 0.1717 0.8015 0.4246 0.054 Uiso 1 1 calc R U . . .
C40 C 0.12900(16) 0.67167(14) 0.37189(15) 0.0361(5) Uani 1 1 d . . . . .
H40 H 0.1650 0.6674 0.4169 0.043 Uiso 1 1 calc R U . . .
C41 C 0.12301(14) 0.51809(13) 0.39606(12) 0.0249(4) Uani 1 1 d . . . . .
C42 C 0.21907(15) 0.53899(14) 0.42102(12) 0.0288(4) Uani 1 1 d . . . . .
H42 H 0.2445 0.5380 0.3849 0.035 Uiso 1 1 calc R U . . .
C43 C 0.27765(16) 0.56116(15) 0.49781(13) 0.0339(5) Uani 1 1 d . . . . .
H43 H 0.3426 0.5743 0.5136 0.041 Uiso 1 1 calc R U . . .
C44 C 0.24148(18) 0.56405(16) 0.55130(14) 0.0370(5) Uani 1 1 d . . . . .
H44 H 0.2814 0.5784 0.6036 0.044 Uiso 1 1 calc R U . . .
C45 C 0.14677(18) 0.54597(17) 0.52825(14) 0.0382(5) Uani 1 1 d . . . . .
H45 H 0.1219 0.5491 0.5653 0.046 Uiso 1 1 calc R U . . .
C46 C 0.08784(16) 0.52319(15) 0.45120(13) 0.0316(4) Uani 1 1 d . . . . .
H46 H 0.0231 0.5110 0.4361 0.038 Uiso 1 1 calc R U . . .
C47 C 0.50140(14) 0.96801(14) 0.21712(13) 0.0286(4) Uani 1 1 d . . . . .
C48 C 0.45506(17) 1.02826(16) 0.21091(15) 0.0376(5) Uani 1 1 d . . . . .
H48 H 0.4285 1.0541 0.2468 0.045 Uiso 1 1 calc R U . . .
C49 C 0.44827(18) 1.04956(17) 0.15287(17) 0.0422(6) Uani 1 1 d . . . . .
H49 H 0.4175 1.0907 0.1483 0.051 Uiso 1 1 calc R U . . .
C50 C 0.48693(17) 1.01023(17) 0.10065(16) 0.0390(5) Uani 1 1 d . . . . .
H50 H 0.4813 1.0225 0.0587 0.047 Uiso 1 1 calc R U . . .
C51 C 0.53361(15) 0.95317(15) 0.11087(13) 0.0315(4) Uani 1 1 d . . . . .
H51 H 0.5598 0.9264 0.0749 0.038 Uiso 1 1 calc R U . . .
C52 C 0.41889(14) 0.74478(13) 0.09352(13) 0.0272(4) Uani 1 1 d . . . . .
C53 C 0.33383(15) 0.70020(16) 0.02765(15) 0.0356(5) Uani 1 1 d . . . . .
H53 H 0.2782 0.6931 0.0345 0.043 Uiso 1 1 calc R U . . .
C54 C 0.33180(17) 0.66724(17) -0.04628(15) 0.0411(6) Uani 1 1 d . . . . .
H54 H 0.2746 0.6381 -0.0914 0.049 Uiso 1 1 calc R U . . .
C55 C 0.41450(18) 0.67660(17) -0.05518(14) 0.0415(6) Uani 1 1 d . . . . .
H55 H 0.4148 0.6518 -0.1061 0.050 Uiso 1 1 calc R U . . .
C56 C 0.49565(16) 0.72262(15) 0.01168(13) 0.0330(4) Uani 1 1 d . . . . .
H56 H 0.5517 0.7301 0.0056 0.040 Uiso 1 1 calc R U . . .
C57 C 0.72752(13) 1.06506(12) 0.30178(12) 0.0248(4) Uani 1 1 d . . . . .
C58 C 0.72409(15) 1.07929(14) 0.23889(13) 0.0296(4) Uani 1 1 d . . . . .
H58 H 0.7303 1.0368 0.1952 0.035 Uiso 1 1 calc R U . . .
C59 C 0.71167(17) 1.15458(15) 0.23944(15) 0.0355(5) Uani 1 1 d . . . . .
H59 H 0.7098 1.1635 0.1964 0.043 Uiso 1 1 calc R U . . .
C60 C 0.7020(2) 1.21681(16) 0.30269(17) 0.0428(6) Uani 1 1 d . . . . .
H60 H 0.6928 1.2682 0.3028 0.051 Uiso 1 1 calc R U . . .
C61 C 0.7060(2) 1.20388(16) 0.36546(17) 0.0442(6) Uani 1 1 d . . . . .
H61 H 0.6998 1.2467 0.4090 0.053 Uiso 1 1 calc R U . . .
C62 C 0.71889(17) 1.12842(15) 0.36552(14) 0.0343(5) Uani 1 1 d . . . . .
H62 H 0.7218 1.1202 0.4092 0.041 Uiso 1 1 calc R U . . .
C63 C 0.85856(13) 0.97322(13) 0.29097(11) 0.0236(4) Uani 1 1 d . . . . .
C64 C 0.92042(14) 1.05321(14) 0.32360(13) 0.0304(4) Uani 1 1 d . . . . .
H64 H 0.9055 1.1033 0.3513 0.037 Uiso 1 1 calc R U . . .
C65 C 1.00369(15) 1.06006(16) 0.31584(14) 0.0354(5) Uani 1 1 d . . . . .
H65 H 1.0448 1.1147 0.3376 0.043 Uiso 1 1 calc R U . . .
C66 C 1.02694(15) 0.98741(17) 0.27645(14) 0.0363(5) Uani 1 1 d . . . . .
H66 H 1.0834 0.9922 0.2705 0.044 Uiso 1 1 calc R U . . .
C67 C 0.96744(15) 0.90795(16) 0.24583(13) 0.0334(5) Uani 1 1 d . . . . .
H67 H 0.9839 0.8580 0.2201 0.040 Uiso 1 1 calc R U . . .
C68 C 0.88337(14) 0.90074(14) 0.25249(12) 0.0271(4) Uani 1 1 d . . . . .
H68 H 0.8426 0.8459 0.2306 0.032 Uiso 1 1 calc R U . . .
C69 C 0.77414(14) 0.98505(13) 0.39786(12) 0.0255(4) Uani 1 1 d . . . . .
C70 C 0.86456(15) 1.00394(14) 0.45204(13) 0.0293(4) Uani 1 1 d . . . . .
H70 H 0.9137 1.0046 0.4359 0.035 Uiso 1 1 calc R U . . .
C71 C 0.88323(16) 1.02186(15) 0.52944(13) 0.0341(5) Uani 1 1 d . . . . .
H71 H 0.9449 1.0346 0.5656 0.041 Uiso 1 1 calc R U . . .
C72 C 0.81241(17) 1.02129(15) 0.55410(13) 0.0339(5) Uani 1 1 d . . . . .
H72 H 0.8253 1.0325 0.6066 0.041 Uiso 1 1 calc R U . . .
C73 C 0.72273(17) 1.00431(15) 0.50165(13) 0.0342(5) Uani 1 1 d . . . . .
H73 H 0.6741 1.0047 0.5185 0.041 Uiso 1 1 calc R U . . .
C74 C 0.70391(15) 0.98668(14) 0.42456(13) 0.0301(4) Uani 1 1 d . . . . .
H74 H 0.6422 0.9755 0.3892 0.036 Uiso 1 1 calc R U . . .
C75 C 0.75616(14) 0.76462(13) 0.30588(12) 0.0261(4) Uani 1 1 d . . . . .
C76 C 0.72908(16) 0.79221(14) 0.36844(13) 0.0317(4) Uani 1 1 d . . . . .
H76 H 0.6684 0.7975 0.3592 0.038 Uiso 1 1 calc R U . . .
C77 C 0.7898(2) 0.81195(15) 0.44399(14) 0.0396(5) Uani 1 1 d . . . . .
H77 H 0.7693 0.8276 0.4852 0.048 Uiso 1 1 calc R U . . .
C78 C 0.8796(2) 0.80880(16) 0.45925(15) 0.0435(6) Uani 1 1 d . . . . .
H78 H 0.9213 0.8229 0.5110 0.052 Uiso 1 1 calc R U . . .
C79 C 0.90876(18) 0.78500(16) 0.39881(15) 0.0410(6) Uani 1 1 d . . . . .
H79 H 0.9711 0.7844 0.4096 0.049 Uiso 1 1 calc R U . . .
C80 C 0.84757(15) 0.76194(14) 0.32237(14) 0.0328(4) Uani 1 1 d . . . . .
H80 H 0.8680 0.7442 0.2811 0.039 Uiso 1 1 calc R U . . .
C81 C 0.72777(13) 0.66778(13) 0.14620(12) 0.0253(4) Uani 1 1 d . . . . .
C82 C 0.75156(15) 0.68144(14) 0.09198(13) 0.0293(4) Uani 1 1 d . . . . .
H82 H 0.7399 0.7280 0.0832 0.035 Uiso 1 1 calc R U . . .
C83 C 0.79291(18) 0.62646(16) 0.05009(15) 0.0377(5) Uani 1 1 d . . . . .
H83 H 0.8089 0.6357 0.0127 0.045 Uiso 1 1 calc R U . . .
C84 C 0.81062(18) 0.55883(16) 0.06277(16) 0.0398(5) Uani 1 1 d . . . . .
H84 H 0.8389 0.5220 0.0343 0.048 Uiso 1 1 calc R U . . .
C85 C 0.78733(16) 0.54484(15) 0.11666(16) 0.0369(5) Uani 1 1 d . . . . .
H85 H 0.8003 0.4988 0.1259 0.044 Uiso 1 1 calc R U . . .
C86 C 0.74508(16) 0.59770(14) 0.15729(14) 0.0321(4) Uani 1 1 d . . . . .
H86 H 0.7275 0.5867 0.1932 0.038 Uiso 1 1 calc R U . . .
C87 C 0.57810(14) 0.64815(14) 0.18162(13) 0.0283(4) Uani 1 1 d . . . . .
C88 C 0.51726(16) 0.59708(14) 0.10215(14) 0.0332(4) Uani 1 1 d . . . . .
H88 H 0.5257 0.6098 0.0636 0.040 Uiso 1 1 calc R U . . .
C89 C 0.44510(17) 0.52847(17) 0.07819(16) 0.0421(6) Uani 1 1 d . . . . .
H89 H 0.4040 0.4955 0.0239 0.050 Uiso 1 1 calc R U . . .
C90 C 0.4328(2) 0.5080(2) 0.1326(2) 0.0597(8) Uani 1 1 d . . . . .
H90 H 0.3835 0.4608 0.1163 0.072 Uiso 1 1 calc R U . . .
C91 C 0.4925(3) 0.5567(3) 0.2111(2) 0.0751(12) Uani 1 1 d . . . . .
H91 H 0.4845 0.5424 0.2490 0.090 Uiso 1 1 calc R U . . .
C92 C 0.5646(2) 0.6267(2) 0.23574(17) 0.0554(8) Uani 1 1 d . . . . .
H92 H 0.6047 0.6600 0.2902 0.066 Uiso 1 1 calc R U . . .
C93A C 0.2776(3) 0.88757(14) 0.22901(12) 0.0625(10) Uani 0.777(5) 1 d D . P A 1
H93A H 0.3395 0.8769 0.2399 0.075 Uiso 0.777(5) 1 calc R U P A 1
Cl3A Cl 0.2918(4) 0.99067(16) 0.30059(18) 0.0883(7) Uani 0.777(5) 1 d D . P A 1
Cl4A Cl 0.23139(12) 0.87391(12) 0.13286(10) 0.0863(5) Uani 0.777(5) 1 d D . P A
1
Cl5A Cl 0.2070(2) 0.81396(12) 0.23768(19) 0.1181(11) Uani 0.777(5) 1 d D . P A
1
C93C C 0.2938(7) 0.8873(5) 0.2374(4) 0.0625(10) Uani 0.223(5) 1 d D . P A 2
H93C H 0.3535 0.8928 0.2318 0.075 Uiso 0.223(5) 1 calc R U P A 2
Cl3C Cl 0.2805(16) 0.9891(6) 0.2831(7) 0.0883(7) Uani 0.223(5) 1 d D . P A 2
Cl4C Cl 0.2033(7) 0.8255(9) 0.1434(5) 0.194(7) Uani 0.223(5) 1 d D U P A 2
Cl5C Cl 0.2959(8) 0.8371(4) 0.2951(5) 0.120(4) Uani 0.223(5) 1 d D . P A 2
C94A C 0.3981(4) 0.82401(15) 0.45136(14) 0.0788(18) Uani 0.636(2) 1 d D . P B 1
H94A H 0.3396 0.8399 0.4347 0.095 Uiso 0.636(2) 1 calc R U P B 1
Cl6A Cl 0.46642(18) 0.8971(2) 0.55012(12) 0.1161(11) Uani 0.636(2) 1 d D . P B
1
Cl7A Cl 0.45316(16) 0.82688(14) 0.39159(13) 0.0948(7) Uani 0.636(2) 1 d D . P B
1
Cl8A Cl 0.36956(13) 0.72140(17) 0.43884(19) 0.1094(9) Uani 0.636(2) 1 d D . P B
1
C94B C 0.4627(7) 0.8336(7) 0.4587(6) 0.0788(18) Uani 0.187(2) 1 d D . P C -2
H94B H 0.4193 0.7895 0.4038 0.095 Uiso 0.187(2) 1 calc R U P C -2
Cl6B Cl 0.4201(10) 0.8279(11) 0.5251(9) 0.277(6) Uani 0.187(2) 1 d D U P C -2
Cl7B Cl 0.4749(11) 0.9341(8) 0.4652(11) 0.277(6) Uani 0.187(2) 1 d D U P C -2
Cl8B Cl 0.5705(9) 0.8148(11) 0.4808(12) 0.277(6) Uani 0.187(2) 1 d D U P C -2
C94C C 0.4697(6) 0.7939(7) 0.4861(5) 0.0788(18) Uani 0.177(3) 1 d D . P D -3
H94C H 0.4987 0.7531 0.5004 0.095 Uiso 0.177(3) 1 calc R U P D -3
Cl6C Cl 0.3506(6) 0.7496(10) 0.4343(7) 0.159(4) Uani 0.177(3) 1 d D . P D -3
Cl7C Cl 0.4924(8) 0.8879(9) 0.5713(5) 0.159(4) Uani 0.177(3) 1 d D . P D -3
Cl8C Cl 0.5125(7) 0.8164(9) 0.4264(5) 0.159(4) Uani 0.177(3) 1 d D . P D -3
C95A C 0.5907(5) 0.6898(2) 0.51535(17) 0.0771(19) Uani 0.457(3) 1 d D . P E 1
H95A H 0.5286 0.6962 0.5129 0.093 Uiso 0.457(3) 1 calc R U P E 1
Cl9 Cl 0.6733(3) 0.78845(18) 0.57797(18) 0.0860(9) Uani 0.457(3) 1 d D . P E 1
Cl10 Cl 0.5889(4) 0.6511(3) 0.42128(16) 0.1181(17) Uani 0.457(3) 1 d D . P E 1
Cl11 Cl 0.6192(4) 0.6200(4) 0.5522(3) 0.091(2) Uani 0.457(3) 1 d D . P E 1
C95B C 0.5728(3) 0.5787(6) 0.4529(3) 0.0771(19) Uani 0.315(2) 1 d D . P F 2
H95B H 0.5787 0.5200 0.4258 0.093 Uiso 0.315(2) 1 calc R U P F 2
Cl12 Cl 0.45798(19) 0.5778(4) 0.4134(2) 0.1171(19) Uani 0.315(2) 1 d D . P F 2
Cl13 Cl 0.6392(6) 0.6483(10) 0.4380(6) 0.260(8) Uani 0.315(2) 1 d D U P F 2
Cl14 Cl 0.6114(6) 0.6134(4) 0.5538(3) 0.071(2) Uani 0.315(2) 1 d D . P F 2
C95C C 0.5827(7) 0.6677(6) 0.4867(5) 0.0771(19) Uani 0.228(3) 1 d D . P G 3
H95C H 0.5191 0.6663 0.4552 0.093 Uiso 0.228(3) 1 calc R U P G 3
Cl22 Cl 0.6452(12) 0.7733(6) 0.5549(7) 0.227(9) Uani 0.228(3) 1 d D U P G 3
Cl23 Cl 0.5742(12) 0.6107(8) 0.5365(7) 0.250(10) Uani 0.228(3) 1 d D U P G 3
Cl24 Cl 0.6341(3) 0.6231(4) 0.4224(3) 0.0640(14) Uani 0.228(3) 1 d D . P G 3
C96A C 0.4484(3) 0.31675(12) 0.26234(14) 0.0535(12) Uani 0.694(5) 1 d D . P H 1
H96A H 0.3799 0.3041 0.2446 0.064 Uiso 0.694(5) 1 calc R U P H 1
Cl16 Cl 0.49713(13) 0.42635(11) 0.32498(14) 0.0835(7) Uani 0.694(5) 1 d D . P H
1
Cl17 Cl 0.4718(2) 0.2831(2) 0.17863(17) 0.0991(8) Uani 0.694(5) 1 d D . P H 1
Cl18 Cl 0.48799(14) 0.26091(12) 0.31312(14) 0.0603(5) Uani 0.694(5) 1 d D . P H
1
C96B C 0.4325(5) 0.2993(3) 0.2202(4) 0.061(4) Uani 0.306(5) 1 d D . P H 2
H96B H 0.3668 0.2964 0.2115 0.073 Uiso 0.306(5) 1 calc R U P H 2
Cl19 Cl 0.4942(5) 0.4039(3) 0.2551(8) 0.181(5) Uani 0.306(5) 1 d D U P H 2
Cl20 Cl 0.4373(4) 0.2335(4) 0.1310(4) 0.0855(15) Uani 0.306(5) 1 d D . P H 2
Cl21 Cl 0.4819(6) 0.2663(6) 0.2898(4) 0.124(3) Uani 0.306(5) 1 d D . P H 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
As As 0.0499 2.0058 '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'
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
N1 Ru1 N2 82.81(7) . . ?
N1 Ru1 As1 84.08(5) . . ?
N2 Ru1 As1 81.36(5) . . ?
N1 Ru1 P1 88.23(5) . . ?
N2 Ru1 P1 167.15(5) . . ?
As1 Ru1 P1 88.600(14) . . ?
N1 Ru1 P2 173.15(5) . . ?
N2 Ru1 P2 90.57(5) . . ?
As1 Ru1 P2 96.715(14) . . ?
P1 Ru1 P2 98.585(18) . . ?
N1 Ru1 Cl1 90.97(5) . . ?
N2 Ru1 Cl1 88.24(5) . . ?
As1 Ru1 Cl1 168.958(15) . . ?
P1 Ru1 Cl1 101.139(18) . . ?
P2 Ru1 Cl1 87.048(17) . . ?
N4 Ru2 N3 79.65(6) . . ?
N4 Ru2 As2 84.01(5) . . ?
N3 Ru2 As2 81.60(5) . . ?
N4 Ru2 P4 92.33(5) . . ?
N3 Ru2 P4 167.74(5) . . ?
As2 Ru2 P4 88.394(14) . . ?
N4 Ru2 P3 169.15(5) . . ?
N3 Ru2 P3 89.78(5) . . ?
As2 Ru2 P3 96.987(14) . . ?
P4 Ru2 P3 98.496(18) . . ?
N4 Ru2 Cl2 90.35(5) . . ?
N3 Ru2 Cl2 87.96(5) . . ?
As2 Ru2 Cl2 168.864(14) . . ?
P4 Ru2 Cl2 101.454(17) . . ?
P3 Ru2 Cl2 86.780(17) . . ?
O2 As1 O1 92.64(8) . . ?
O2 As1 Ru1 97.39(5) . . ?
O1 As1 Ru1 96.16(5) . . ?
O4 As2 O3 91.34(7) . . ?
O4 As2 Ru2 96.44(5) . . ?
O3 As2 Ru2 96.33(5) . . ?
C23 P1 C17 100.01(9) . . ?
C23 P1 C11 104.18(10) . . ?
C17 P1 C11 96.10(10) . . ?
C23 P1 Ru1 118.29(7) . . ?
C17 P1 Ru1 124.34(7) . . ?
C11 P1 Ru1 110.30(7) . . ?
C41 P2 C35 99.73(9) . . ?
C41 P2 C29 102.79(9) . . ?
C35 P2 C29 97.91(9) . . ?
C41 P2 Ru1 119.94(6) . . ?
C35 P2 Ru1 114.66(7) . . ?
C29 P2 Ru1 118.14(6) . . ?
C69 P3 C63 102.65(9) . . ?
C69 P3 C57 100.73(9) . . ?
C63 P3 C57 99.20(9) . . ?
C69 P3 Ru2 121.61(7) . . ?
C63 P3 Ru2 117.59(6) . . ?
C57 P3 Ru2 111.62(7) . . ?
C81 P4 C75 100.26(9) . . ?
C81 P4 C87 95.99(9) . . ?
C75 P4 C87 103.66(10) . . ?
C81 P4 Ru2 124.69(7) . . ?
C75 P4 Ru2 116.75(7) . . ?
C87 P4 Ru2 111.92(7) . . ?
C1 N1 C5 117.71(18) . . ?
C1 N1 Ru1 119.56(14) . . ?
C5 N1 Ru1 122.71(14) . . ?
C6 N2 C10 116.9(2) . . ?
C6 N2 Ru1 119.16(15) . . ?
C10 N2 Ru1 123.87(16) . . ?
C47 N3 C51 117.38(18) . . ?
C47 N3 Ru2 119.15(14) . . ?
C51 N3 Ru2 123.43(14) . . ?
C52 N4 C56 117.62(18) . . ?
C52 N4 Ru2 118.88(14) . . ?
C56 N4 Ru2 122.93(14) . . ?
C1 O1 As1 119.47(13) . . ?
C6 O2 As1 117.24(14) . . ?
C47 O3 As2 116.31(13) . . ?
C52 O4 As2 119.46(13) . . ?
O1 C1 N1 119.84(18) . . ?
O1 C1 C2 118.4(2) . . ?
N1 C1 C2 121.8(2) . . ?
C3 C2 C1 119.6(2) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 119.1(2) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 118.9(2) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 122.8(2) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
O2 C6 N2 119.7(2) . . ?
O2 C6 C7 118.2(2) . . ?
N2 C6 C7 122.1(2) . . ?
C8 C7 C6 119.5(3) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 119.0(3) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 119.1(3) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
N2 C10 C9 123.3(3) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C16 C11 C12 117.6(2) . . ?
C16 C11 P1 124.64(19) . . ?
C12 C11 P1 117.71(18) . . ?
C13 C12 C11 121.6(3) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 120.8(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C11 C16 C15 120.4(3) . . ?
C11 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C22 C17 C18 118.96(19) . . ?
C22 C17 P1 123.29(16) . . ?
C18 C17 P1 117.74(16) . . ?
C19 C18 C17 121.0(2) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 119.6(2) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 120.4(2) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C22 120.3(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 119.8(2) . . ?
C17 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C24 C23 C28 117.9(2) . . ?
C24 C23 P1 121.10(16) . . ?
C28 C23 P1 120.96(17) . . ?
C25 C24 C23 121.0(2) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C26 C25 C24 120.0(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 119.9(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 120.4(2) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 120.7(2) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C30 C29 C34 117.95(19) . . ?
C30 C29 P2 120.52(15) . . ?
C34 C29 P2 121.50(16) . . ?
C29 C30 C31 121.0(2) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C32 C31 C30 120.2(2) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C33 C32 C31 119.7(2) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C34 120.2(2) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C29 121.0(2) . . ?
C33 C34 H34 119.5 . . ?
C29 C34 H34 119.5 . . ?
C40 C35 C36 118.67(19) . . ?
C40 C35 P2 123.35(17) . . ?
C36 C35 P2 117.48(15) . . ?
C37 C36 C35 120.7(2) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C38 C37 C36 120.1(2) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C39 C38 C37 119.9(2) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.2(2) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C35 C40 C39 120.4(2) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C46 C41 C42 118.20(19) . . ?
C46 C41 P2 123.70(16) . . ?
C42 C41 P2 118.02(15) . . ?
C43 C42 C41 121.0(2) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C44 C43 C42 120.0(2) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C44 C45 119.7(2) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 120.4(2) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C45 C46 C41 120.6(2) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?
O3 C47 N3 119.30(19) . . ?
O3 C47 C48 119.0(2) . . ?
N3 C47 C48 121.7(2) . . ?
C49 C48 C47 119.6(2) . . ?
C49 C48 H48 120.2 . . ?
C47 C48 H48 120.2 . . ?
C48 C49 C50 119.1(2) . . ?
C48 C49 H49 120.5 . . ?
C50 C49 H49 120.5 . . ?
C51 C50 C49 118.7(2) . . ?
C51 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
N3 C51 C50 123.3(2) . . ?
N3 C51 H51 118.4 . . ?
C50 C51 H51 118.4 . . ?
O4 C52 N4 119.74(18) . . ?
O4 C52 C53 118.35(19) . . ?
N4 C52 C53 121.9(2) . . ?
C54 C53 C52 119.3(2) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C53 C54 C55 119.5(2) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C56 C55 C54 118.4(2) . . ?
C56 C55 H55 120.8 . . ?
C54 C55 H55 120.8 . . ?
N4 C56 C55 123.1(2) . . ?
N4 C56 H56 118.5 . . ?
C55 C56 H56 118.5 . . ?
C62 C57 C58 118.7(2) . . ?
C62 C57 P3 124.04(17) . . ?
C58 C57 P3 117.30(15) . . ?
C59 C58 C57 120.8(2) . . ?
C59 C58 H58 119.6 . . ?
C57 C58 H58 119.6 . . ?
C60 C59 C58 120.1(2) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C61 C60 C59 119.7(2) . . ?
C61 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
C60 C61 C62 120.6(2) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C57 C62 C61 120.2(2) . . ?
C57 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C68 C63 C64 118.46(18) . . ?
C68 C63 P3 120.02(15) . . ?
C64 C63 P3 121.49(15) . . ?
C65 C64 C63 120.6(2) . . ?
C65 C64 H64 119.7 . . ?
C63 C64 H64 119.7 . . ?
C66 C65 C64 120.3(2) . . ?
C66 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C67 C66 C65 119.6(2) . . ?
C67 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C66 C67 C68 120.3(2) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C63 C68 C67 120.7(2) . . ?
C63 C68 H68 119.7 . . ?
C67 C68 H68 119.7 . . ?
C70 C69 C74 117.87(19) . . ?
C70 C69 P3 122.93(16) . . ?
C74 C69 P3 119.16(16) . . ?
C71 C70 C69 120.7(2) . . ?
C71 C70 H70 119.7 . . ?
C69 C70 H70 119.7 . . ?
C72 C71 C70 120.5(2) . . ?
C72 C71 H71 119.8 . . ?
C70 C71 H71 119.8 . . ?
C73 C72 C71 119.6(2) . . ?
C73 C72 H72 120.2 . . ?
C71 C72 H72 120.2 . . ?
C72 C73 C74 120.1(2) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 C69 121.3(2) . . ?
C73 C74 H74 119.4 . . ?
C69 C74 H74 119.4 . . ?
C76 C75 C80 118.1(2) . . ?
C76 C75 P4 120.43(16) . . ?
C80 C75 P4 121.43(17) . . ?
C77 C76 C75 120.9(2) . . ?
C77 C76 H76 119.5 . . ?
C75 C76 H76 119.5 . . ?
C78 C77 C76 120.2(2) . . ?
C78 C77 H77 119.9 . . ?
C76 C77 H77 119.9 . . ?
C77 C78 C79 119.7(2) . . ?
C77 C78 H78 120.2 . . ?
C79 C78 H78 120.2 . . ?
C78 C79 C80 120.5(2) . . ?
C78 C79 H79 119.7 . . ?
C80 C79 H79 119.7 . . ?
C79 C80 C75 120.5(2) . . ?
C79 C80 H80 119.8 . . ?
C75 C80 H80 119.8 . . ?
C82 C81 C86 118.78(19) . . ?
C82 C81 P4 123.74(16) . . ?
C86 C81 P4 117.48(16) . . ?
C81 C82 C83 119.8(2) . . ?
C81 C82 H82 120.1 . . ?
C83 C82 H82 120.1 . . ?
C84 C83 C82 120.5(2) . . ?
C84 C83 H83 119.8 . . ?
C82 C83 H83 119.8 . . ?
C85 C84 C83 120.1(2) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 120.0(2) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C85 C86 C81 120.8(2) . . ?
C85 C86 H86 119.6 . . ?
C81 C86 H86 119.6 . . ?
C92 C87 C88 117.5(2) . . ?
C92 C87 P4 125.23(18) . . ?
C88 C87 P4 117.24(17) . . ?
C89 C88 C87 121.6(2) . . ?
C89 C88 H88 119.2 . . ?
C87 C88 H88 119.2 . . ?
C90 C89 C88 120.1(2) . . ?
C90 C89 H89 119.9 . . ?
C88 C89 H89 119.9 . . ?
C89 C90 C91 119.4(3) . . ?
C89 C90 H90 120.3 . . ?
C91 C90 H90 120.3 . . ?
C90 C91 C92 120.7(3) . . ?
C90 C91 H91 119.6 . . ?
C92 C91 H91 119.6 . . ?
C87 C92 C91 120.7(3) . . ?
C87 C92 H92 119.7 . . ?
C91 C92 H92 119.7 . . ?
Cl5A C93A Cl4A 110.49(17) . . ?
Cl5A C93A Cl3A 108.94(18) . . ?
Cl4A C93A Cl3A 112.66(18) . . ?
Cl5A C93A H93A 108.2 . . ?
Cl4A C93A H93A 108.2 . . ?
Cl3A C93A H93A 108.2 . . ?
Cl5C C93C Cl4C 109.7(4) . . ?
Cl5C C93C Cl3C 110.2(4) . . ?
Cl4C C93C Cl3C 110.2(4) . . ?
Cl5C C93C H93C 108.9 . . ?
Cl4C C93C H93C 108.9 . . ?
Cl3C C93C H93C 108.9 . . ?
Cl7A C94A Cl8A 110.2(2) . . ?
Cl7A C94A Cl6A 111.0(2) . . ?
Cl8A C94A Cl6A 110.9(2) . . ?
Cl7A C94A H94A 108.2 . . ?
Cl8A C94A H94A 108.2 . . ?
Cl6A C94A H94A 108.2 . . ?
Cl6B C94B Cl7B 110.8(5) . . ?
Cl6B C94B Cl8B 109.3(4) . . ?
Cl7B C94B Cl8B 108.5(4) . . ?
Cl6B C94B H94B 109.4 . . ?
Cl7B C94B H94B 109.4 . . ?
Cl8B C94B H94B 109.4 . . ?
Cl7C C94C Cl8C 109.6(4) . . ?
Cl7C C94C Cl6C 108.6(4) . . ?
Cl8C C94C Cl6C 108.3(4) . . ?
Cl7C C94C H94C 110.1 . . ?
Cl8C C94C H94C 110.1 . . ?
Cl6C C94C H94C 110.1 . . ?
Cl11 C95A Cl9 108.9(3) . . ?
Cl11 C95A Cl10 110.2(3) . . ?
Cl9 C95A Cl10 109.1(3) . . ?
Cl11 C95A H95A 109.6 . . ?
Cl9 C95A H95A 109.6 . . ?
Cl10 C95A H95A 109.6 . . ?
Cl14 C95B Cl13 109.2(4) . . ?
Cl14 C95B Cl12 110.1(4) . . ?
Cl13 C95B Cl12 108.6(4) . . ?
Cl14 C95B H95B 109.7 . . ?
Cl13 C95B H95B 109.7 . . ?
Cl12 C95B H95B 109.7 . . ?
Cl23 C95C Cl22 109.5(4) . . ?
Cl23 C95C Cl24 111.5(4) . . ?
Cl22 C95C Cl24 110.5(4) . . ?
Cl23 C95C H95C 108.5 . . ?
Cl22 C95C H95C 108.5 . . ?
Cl24 C95C H95C 108.4 . . ?
Cl17 C96A Cl18 110.54(17) . . ?
Cl17 C96A Cl16 111.5(2) . . ?
Cl18 C96A Cl16 110.25(17) . . ?
Cl17 C96A H96A 108.2 . . ?
Cl18 C96A H96A 108.2 . . ?
Cl16 C96A H96A 108.2 . . ?
Cl21 C96B Cl19 109.2(6) . . ?
Cl21 C96B Cl20 109.9(4) . . ?
Cl19 C96B Cl20 109.0(4) . . ?
Cl21 C96B H96B 109.6 . . ?
Cl19 C96B H96B 109.6 . . ?
Cl20 C96B H96B 109.6 . . ?
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 N1 2.1391(16) . ?
Ru1 N2 2.1840(18) . ?
Ru1 As1 2.3124(3) . ?
Ru1 P1 2.3387(5) . ?
Ru1 P2 2.3526(5) . ?
Ru1 Cl1 2.5469(5) . ?
Ru2 N4 2.1372(17) . ?
Ru2 N3 2.1744(17) . ?
Ru2 As2 2.3019(3) . ?
Ru2 P4 2.3358(5) . ?
Ru2 P3 2.3591(5) . ?
Ru2 Cl2 2.5385(5) . ?
As1 O2 1.8890(17) . ?
As1 O1 1.9056(16) . ?
As2 O4 1.8958(16) . ?
As2 O3 1.9146(16) . ?
P1 C23 1.845(2) . ?
P1 C17 1.851(2) . ?
P1 C11 1.862(2) . ?
P2 C41 1.842(2) . ?
P2 C35 1.848(2) . ?
P2 C29 1.849(2) . ?
P3 C69 1.841(2) . ?
P3 C63 1.845(2) . ?
P3 C57 1.851(2) . ?
P4 C81 1.845(2) . ?
P4 C75 1.848(2) . ?
P4 C87 1.858(2) . ?
N1 C1 1.354(3) . ?
N1 C5 1.357(3) . ?
N2 C6 1.355(3) . ?
N2 C10 1.355(3) . ?
N3 C47 1.351(3) . ?
N3 C51 1.355(3) . ?
N4 C52 1.354(3) . ?
N4 C56 1.358(3) . ?
O1 C1 1.327(3) . ?
O2 C6 1.327(3) . ?
O3 C47 1.334(3) . ?
O4 C52 1.330(3) . ?
C1 C2 1.405(3) . ?
C2 C3 1.362(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.395(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.403(3) . ?
C7 C8 1.365(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.384(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.391(3) . ?
C11 C12 1.396(3) . ?
C12 C13 1.393(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.373(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.372(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.404(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.392(3) . ?
C17 C18 1.402(3) . ?
C18 C19 1.386(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.401(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.398(3) . ?
C23 C28 1.403(3) . ?
C24 C25 1.393(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.381(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.393(3) . ?
C29 C34 1.402(3) . ?
C30 C31 1.393(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.385(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.383(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.388(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C40 1.394(3) . ?
C35 C36 1.395(3) . ?
C36 C37 1.387(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.386(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.378(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.395(3) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.394(3) . ?
C41 C42 1.402(3) . ?
C42 C43 1.389(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.386(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.401(3) . ?
C48 C49 1.366(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.389(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.376(3) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.403(3) . ?
C53 C54 1.363(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.397(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.378(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.392(3) . ?
C57 C58 1.397(3) . ?
C58 C59 1.385(3) . ?
C58 H58 0.9500 . ?
C59 C60 1.385(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.379(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.395(3) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.394(3) . ?
C63 C64 1.399(3) . ?
C64 C65 1.393(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.387(4) . ?
C65 H65 0.9500 . ?
C66 C67 1.384(4) . ?
C66 H66 0.9500 . ?
C67 C68 1.395(3) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.400(3) . ?
C69 C74 1.401(3) . ?
C70 C71 1.393(3) . ?
C70 H70 0.9500 . ?
C71 C72 1.386(3) . ?
C71 H71 0.9500 . ?
C72 C73 1.386(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.388(3) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C76 1.399(3) . ?
C75 C80 1.400(3) . ?
C76 C77 1.391(3) . ?
C76 H76 0.9500 . ?
C77 C78 1.380(4) . ?
C77 H77 0.9500 . ?
C78 C79 1.383(4) . ?
C78 H78 0.9500 . ?
C79 C80 1.391(3) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.386(3) . ?
C81 C86 1.409(3) . ?
C82 C83 1.401(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.383(4) . ?
C83 H83 0.9500 . ?
C84 C85 1.378(4) . ?
C84 H84 0.9500 . ?
C85 C86 1.380(3) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C92 1.383(3) . ?
C87 C88 1.399(3) . ?
C88 C89 1.385(3) . ?
C88 H88 0.9500 . ?
C89 C90 1.371(4) . ?
C89 H89 0.9500 . ?
C90 C91 1.377(5) . ?
C90 H90 0.9500 . ?
C91 C92 1.398(4) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93A Cl5A 1.7516(15) . ?
C93A Cl4A 1.7519(15) . ?
C93A Cl3A 1.7523(15) . ?
C93A H93A 1.0000 . ?
C93C Cl5C 1.7518(16) . ?
C93C Cl4C 1.7518(16) . ?
C93C Cl3C 1.7520(15) . ?
C93C H93C 1.0000 . ?
C94A Cl7A 1.741(2) . ?
C94A Cl8A 1.741(2) . ?
C94A Cl6A 1.741(2) . ?
C94A H94A 1.0000 . ?
C94B Cl6B 1.741(2) . ?
C94B Cl7B 1.741(2) . ?
C94B Cl8B 1.741(2) . ?
C94B H94B 1.0000 . ?
C94C Cl7C 1.741(2) . ?
C94C Cl8C 1.741(2) . ?
C94C Cl6C 1.741(2) . ?
C94C H94C 1.0000 . ?
C95A Cl11 1.741(3) . ?
C95A Cl9 1.741(3) . ?
C95A Cl10 1.742(3) . ?
C95A H95A 1.0000 . ?
C95B Cl14 1.741(3) . ?
C95B Cl13 1.741(3) . ?
C95B Cl12 1.741(3) . ?
C95B H95B 1.0000 . ?
C95C Cl23 1.741(3) . ?
C95C Cl22 1.741(3) . ?
C95C Cl24 1.741(3) . ?
C95C H95C 1.0000 . ?
C96A Cl17 1.7468(16) . ?
C96A Cl18 1.7469(16) . ?
C96A Cl16 1.7470(16) . ?
C96A H96A 1.0000 . ?
C96B Cl21 1.7466(17) . ?
C96B Cl19 1.7466(17) . ?
C96B Cl20 1.7467(17) . ?
C96B H96B 1.0000 . ?
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
O1 As1 O2 C6 73.26(16) . . . . ?
Ru1 As1 O2 C6 -23.31(16) . . . . ?
O3 As2 O4 C52 103.08(17) . . . . ?
Ru2 As2 O4 C52 6.56(16) . . . . ?
As1 O1 C1 N1 7.7(3) . . . . ?
As1 O1 C1 C2 -171.49(16) . . . . ?
C5 N1 C1 O1 -178.8(2) . . . . ?
Ru1 N1 C1 O1 -0.1(3) . . . . ?
C5 N1 C1 C2 0.4(3) . . . . ?
Ru1 N1 C1 C2 179.05(17) . . . . ?
O1 C1 C2 C3 178.2(2) . . . . ?
N1 C1 C2 C3 -1.0(4) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C2 C3 C4 C5 -0.3(4) . . . . ?
C1 N1 C5 C4 0.3(3) . . . . ?
Ru1 N1 C5 C4 -178.36(19) . . . . ?
C3 C4 C5 N1 -0.3(4) . . . . ?
As1 O2 C6 N2 15.7(3) . . . . ?
As1 O2 C6 C7 -163.59(18) . . . . ?
C10 N2 C6 O2 -175.16(19) . . . . ?
Ru1 N2 C6 O2 2.6(3) . . . . ?
C10 N2 C6 C7 4.1(3) . . . . ?
Ru1 N2 C6 C7 -178.13(18) . . . . ?
O2 C6 C7 C8 176.6(2) . . . . ?
N2 C6 C7 C8 -2.7(4) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C7 C8 C9 C10 1.1(4) . . . . ?
C6 N2 C10 C9 -3.0(3) . . . . ?
Ru1 N2 C10 C9 179.32(18) . . . . ?
C8 C9 C10 N2 0.5(4) . . . . ?
C23 P1 C11 C16 -35.2(2) . . . . ?
C17 P1 C11 C16 -137.2(2) . . . . ?
Ru1 P1 C11 C16 92.7(2) . . . . ?
C23 P1 C11 C12 147.41(18) . . . . ?
C17 P1 C11 C12 45.44(19) . . . . ?
Ru1 P1 C11 C12 -84.67(18) . . . . ?
C16 C11 C12 C13 -0.2(4) . . . . ?
P1 C11 C12 C13 177.4(2) . . . . ?
C11 C12 C13 C14 0.0(4) . . . . ?
C12 C13 C14 C15 0.1(5) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C12 C11 C16 C15 0.2(4) . . . . ?
P1 C11 C16 C15 -177.2(2) . . . . ?
C14 C15 C16 C11 -0.1(5) . . . . ?
C23 P1 C17 C22 122.20(19) . . . . ?
C11 P1 C17 C22 -132.19(19) . . . . ?
Ru1 P1 C17 C22 -12.5(2) . . . . ?
C23 P1 C17 C18 -58.95(18) . . . . ?
C11 P1 C17 C18 46.65(18) . . . . ?
Ru1 P1 C17 C18 166.35(13) . . . . ?
C22 C17 C18 C19 0.1(3) . . . . ?
P1 C17 C18 C19 -178.79(17) . . . . ?
C17 C18 C19 C20 -0.2(3) . . . . ?
C18 C19 C20 C21 -0.2(4) . . . . ?
C19 C20 C21 C22 0.6(4) . . . . ?
C18 C17 C22 C21 0.3(3) . . . . ?
P1 C17 C22 C21 179.16(19) . . . . ?
C20 C21 C22 C17 -0.7(4) . . . . ?
C17 P1 C23 C24 -21.02(19) . . . . ?
C11 P1 C23 C24 -119.98(18) . . . . ?
Ru1 P1 C23 C24 117.18(16) . . . . ?
C17 P1 C23 C28 161.44(18) . . . . ?
C11 P1 C23 C28 62.48(19) . . . . ?
Ru1 P1 C23 C28 -60.36(19) . . . . ?
C28 C23 C24 C25 -1.0(3) . . . . ?
P1 C23 C24 C25 -178.66(17) . . . . ?
C23 C24 C25 C26 -1.5(4) . . . . ?
C24 C25 C26 C27 1.5(4) . . . . ?
C25 C26 C27 C28 1.1(4) . . . . ?
C26 C27 C28 C23 -3.7(4) . . . . ?
C24 C23 C28 C27 3.6(3) . . . . ?
P1 C23 C28 C27 -178.77(18) . . . . ?
C41 P2 C29 C30 -107.14(17) . . . . ?
C35 P2 C29 C30 150.94(17) . . . . ?
Ru1 P2 C29 C30 27.43(19) . . . . ?
C41 P2 C29 C34 74.56(19) . . . . ?
C35 P2 C29 C34 -27.36(19) . . . . ?
Ru1 P2 C29 C34 -150.87(15) . . . . ?
C34 C29 C30 C31 0.0(3) . . . . ?
P2 C29 C30 C31 -178.32(16) . . . . ?
C29 C30 C31 C32 0.7(3) . . . . ?
C30 C31 C32 C33 -1.0(3) . . . . ?
C31 C32 C33 C34 0.4(4) . . . . ?
C32 C33 C34 C29 0.4(4) . . . . ?
C30 C29 C34 C33 -0.6(3) . . . . ?
P2 C29 C34 C33 177.74(17) . . . . ?
C41 P2 C35 C40 -1.1(2) . . . . ?
C29 P2 C35 C40 103.4(2) . . . . ?
Ru1 P2 C35 C40 -130.60(18) . . . . ?
C41 P2 C35 C36 -172.90(16) . . . . ?
C29 P2 C35 C36 -68.38(17) . . . . ?
Ru1 P2 C35 C36 57.61(17) . . . . ?
C40 C35 C36 C37 -0.3(3) . . . . ?
P2 C35 C36 C37 171.92(18) . . . . ?
C35 C36 C37 C38 -0.1(4) . . . . ?
C36 C37 C38 C39 0.5(4) . . . . ?
C37 C38 C39 C40 -0.5(5) . . . . ?
C36 C35 C40 C39 0.2(4) . . . . ?
P2 C35 C40 C39 -171.5(2) . . . . ?
C38 C39 C40 C35 0.2(4) . . . . ?
C35 P2 C41 C46 103.29(19) . . . . ?
C29 P2 C41 C46 2.8(2) . . . . ?
Ru1 P2 C41 C46 -130.74(17) . . . . ?
C35 P2 C41 C42 -73.39(17) . . . . ?
C29 P2 C41 C42 -173.89(16) . . . . ?
Ru1 P2 C41 C42 52.57(18) . . . . ?
C46 C41 C42 C43 2.3(3) . . . . ?
P2 C41 C42 C43 179.21(17) . . . . ?
C41 C42 C43 C44 -0.9(3) . . . . ?
C42 C43 C44 C45 -0.9(4) . . . . ?
C43 C44 C45 C46 1.4(4) . . . . ?
C44 C45 C46 C41 0.1(4) . . . . ?
C42 C41 C46 C45 -1.9(3) . . . . ?
P2 C41 C46 C45 -178.59(18) . . . . ?
As2 O3 C47 N3 -17.6(2) . . . . ?
As2 O3 C47 C48 161.67(17) . . . . ?
C51 N3 C47 O3 173.53(19) . . . . ?
Ru2 N3 C47 O3 -4.2(3) . . . . ?
C51 N3 C47 C48 -5.7(3) . . . . ?
Ru2 N3 C47 C48 176.54(17) . . . . ?
O3 C47 C48 C49 -175.7(2) . . . . ?
N3 C47 C48 C49 3.5(4) . . . . ?
C47 C48 C49 C50 0.6(4) . . . . ?
C48 C49 C50 C51 -2.2(4) . . . . ?
C47 N3 C51 C50 4.1(3) . . . . ?
Ru2 N3 C51 C50 -178.30(18) . . . . ?
C49 C50 C51 N3 -0.1(4) . . . . ?
As2 O4 C52 N4 1.8(3) . . . . ?
As2 O4 C52 C53 -177.72(16) . . . . ?
C56 N4 C52 O4 177.4(2) . . . . ?
Ru2 N4 C52 O4 -11.0(3) . . . . ?
C56 N4 C52 C53 -3.1(3) . . . . ?
Ru2 N4 C52 C53 168.53(17) . . . . ?
O4 C52 C53 C54 -178.9(2) . . . . ?
N4 C52 C53 C54 1.6(4) . . . . ?
C52 C53 C54 C55 1.5(4) . . . . ?
C53 C54 C55 C56 -2.9(4) . . . . ?
C52 N4 C56 C55 1.6(3) . . . . ?
Ru2 N4 C56 C55 -169.6(2) . . . . ?
C54 C55 C56 N4 1.4(4) . . . . ?
C69 P3 C57 C62 -13.1(2) . . . . ?
C63 P3 C57 C62 -117.99(19) . . . . ?
Ru2 P3 C57 C62 117.33(18) . . . . ?
C69 P3 C57 C58 166.10(16) . . . . ?
C63 P3 C57 C58 61.24(17) . . . . ?
Ru2 P3 C57 C58 -63.44(17) . . . . ?
C62 C57 C58 C59 -0.5(3) . . . . ?
P3 C57 C58 C59 -179.75(18) . . . . ?
C57 C58 C59 C60 -0.3(4) . . . . ?
C58 C59 C60 C61 0.8(4) . . . . ?
C59 C60 C61 C62 -0.5(4) . . . . ?
C58 C57 C62 C61 0.8(3) . . . . ?
P3 C57 C62 C61 180.0(2) . . . . ?
C60 C61 C62 C57 -0.3(4) . . . . ?
C69 P3 C63 C68 104.78(17) . . . . ?
C57 P3 C63 C68 -151.95(17) . . . . ?
Ru2 P3 C63 C68 -31.56(19) . . . . ?
C69 P3 C63 C64 -77.26(19) . . . . ?
C57 P3 C63 C64 26.01(19) . . . . ?
Ru2 P3 C63 C64 146.39(15) . . . . ?
C68 C63 C64 C65 1.7(3) . . . . ?
P3 C63 C64 C65 -176.30(17) . . . . ?
C63 C64 C65 C66 -0.8(3) . . . . ?
C64 C65 C66 C67 -0.9(4) . . . . ?
C65 C66 C67 C68 1.8(3) . . . . ?
C64 C63 C68 C67 -0.8(3) . . . . ?
P3 C63 C68 C67 177.21(16) . . . . ?
C66 C67 C68 C63 -0.9(3) . . . . ?
C63 P3 C69 C70 -0.5(2) . . . . ?
C57 P3 C69 C70 -102.62(19) . . . . ?
Ru2 P3 C69 C70 133.54(16) . . . . ?
C63 P3 C69 C74 177.04(17) . . . . ?
C57 P3 C69 C74 74.95(18) . . . . ?
Ru2 P3 C69 C74 -48.9(2) . . . . ?
C74 C69 C70 C71 1.4(3) . . . . ?
P3 C69 C70 C71 179.00(17) . . . . ?
C69 C70 C71 C72 0.0(4) . . . . ?
C70 C71 C72 C73 -1.2(4) . . . . ?
C71 C72 C73 C74 1.0(4) . . . . ?
C72 C73 C74 C69 0.4(4) . . . . ?
C70 C69 C74 C73 -1.6(3) . . . . ?
P3 C69 C74 C73 -179.29(18) . . . . ?
C81 P4 C75 C76 -158.54(17) . . . . ?
C87 P4 C75 C76 -59.73(19) . . . . ?
Ru2 P4 C75 C76 63.82(19) . . . . ?
C81 P4 C75 C80 23.58(19) . . . . ?
C87 P4 C75 C80 122.39(18) . . . . ?
Ru2 P4 C75 C80 -114.06(17) . . . . ?
C80 C75 C76 C77 -3.4(3) . . . . ?
P4 C75 C76 C77 178.60(17) . . . . ?
C75 C76 C77 C78 3.4(4) . . . . ?
C76 C77 C78 C79 -0.7(4) . . . . ?
C77 C78 C79 C80 -1.8(4) . . . . ?
C78 C79 C80 C75 1.7(4) . . . . ?
C76 C75 C80 C79 0.9(3) . . . . ?
P4 C75 C80 C79 178.85(18) . . . . ?
C75 P4 C81 C82 -125.10(19) . . . . ?
C87 P4 C81 C82 129.81(19) . . . . ?
Ru2 P4 C81 C82 7.9(2) . . . . ?
C75 P4 C81 C86 55.05(18) . . . . ?
C87 P4 C81 C86 -50.04(18) . . . . ?
Ru2 P4 C81 C86 -171.99(13) . . . . ?
C86 C81 C82 C83 -0.7(3) . . . . ?
P4 C81 C82 C83 179.48(18) . . . . ?
C81 C82 C83 C84 -0.3(4) . . . . ?
C82 C83 C84 C85 0.2(4) . . . . ?
C83 C84 C85 C86 0.9(4) . . . . ?
C84 C85 C86 C81 -1.9(4) . . . . ?
C82 C81 C86 C85 1.8(3) . . . . ?
P4 C81 C86 C85 -178.33(18) . . . . ?
C81 P4 C87 C92 116.4(3) . . . . ?
C75 P4 C87 C92 14.2(3) . . . . ?
Ru2 P4 C87 C92 -112.4(2) . . . . ?
C81 P4 C87 C88 -60.60(19) . . . . ?
C75 P4 C87 C88 -162.71(17) . . . . ?
Ru2 P4 C87 C88 70.63(18) . . . . ?
C92 C87 C88 C89 1.1(4) . . . . ?
P4 C87 C88 C89 178.30(19) . . . . ?
C87 C88 C89 C90 -1.2(4) . . . . ?
C88 C89 C90 C91 0.4(5) . . . . ?
C89 C90 C91 C92 0.6(7) . . . . ?
C88 C87 C92 C91 -0.1(5) . . . . ?
P4 C87 C92 C91 -177.1(3) . . . . ?
C90 C91 C92 C87 -0.7(7) . . . . ?
