#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312202.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_4312202
loop_
_publ_author_name
'Szeman Ng'
'Joseph W. Ziller'
'Patrick J. Farmer'
_publ_section_title
;
 Multiple Pathways for the Oxygenation of a Ruthenium(II) Dithiocarbamate
 Complex: S-Oxygenation and S-Extrusion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8301
_journal_page_last               8309
_journal_paper_doi               10.1021/ic048661a
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C52 H59 F12 N10 O1.5 P2 Ru2 S4'
_chemical_formula_weight         1468.41
_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           SHELXTL
_cell_angle_alpha                89.2620(10)
_cell_angle_beta                 83.0600(10)
_cell_angle_gamma                87.6100(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5935(4)
_cell_length_b                   12.9853(6)
_cell_length_c                   24.3718(10)
_cell_measurement_temperature    168(2)
_cell_volume                     3011.1(2)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      168(2)
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            32335
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.68
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    0.779
_exptl_absorpt_correction_T_max  0.8535
_exptl_absorpt_correction_T_min  0.8114
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1486
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.704
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     772
_refine_ls_number_reflns         14179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0456
_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)+(0.0402P)²+7.9760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1150
_reflns_number_gt                11280
_reflns_number_total             14179
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048661asi20040923_114339.cif
_cod_data_source_block           pjf7
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_formula_sum        'C52 H59 F12 N10 O1.50 P2 Ru2 S4'
_cod_database_code               4312202
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 0.27046(3) 0.54754(2) 0.367904(11) 0.02295(7) Uani 1 1 d . . .
S1 S 0.13793(9) 0.44446(7) 0.43676(3) 0.02778(18) Uani 1 1 d . . .
S2 S 0.23334(9) 0.38837(7) 0.32530(3) 0.02746(18) Uani 1 1 d . . .
N1 N 0.3643(3) 0.6104(2) 0.29531(12) 0.0272(6) Uani 1 1 d . . .
N2 N 0.0995(3) 0.6100(2) 0.33488(12) 0.0279(6) Uani 1 1 d . . .
N3 N 0.4545(3) 0.5058(2) 0.39922(11) 0.0247(6) Uani 1 1 d . . .
N4 N 0.2996(3) 0.6747(2) 0.41474(11) 0.0243(6) Uani 1 1 d . . .
N5 N 0.0738(3) 0.2644(2) 0.39385(13) 0.0348(7) Uani 1 1 d . . .
C1 C 0.5020(4) 0.6024(3) 0.27596(16) 0.0328(8) Uani 1 1 d . . .
H1A H 0.5650 0.5716 0.2992 0.039 Uiso 1 1 calc R . .
C2 C 0.5567(4) 0.6367(3) 0.22424(16) 0.0374(9) Uani 1 1 d . . .
H2A H 0.6543 0.6285 0.2120 0.045 Uiso 1 1 calc R . .
C3 C 0.4647(5) 0.6834(3) 0.19062(17) 0.0412(10) Uani 1 1 d . . .
H3A H 0.4990 0.7093 0.1551 0.049 Uiso 1 1 calc R . .
C4 C 0.3248(5) 0.6918(3) 0.20916(16) 0.0378(9) Uani 1 1 d . . .
H4A H 0.2610 0.7226 0.1863 0.045 Uiso 1 1 calc R . .
C5 C 0.2751(4) 0.6552(3) 0.26172(15) 0.0291(7) Uani 1 1 d . . .
C6 C 0.1272(4) 0.6582(3) 0.28451(15) 0.0300(8) Uani 1 1 d . . .
C7 C 0.0198(5) 0.7062(3) 0.25865(18) 0.0406(10) Uani 1 1 d . . .
H7A H 0.0409 0.7397 0.2239 0.049 Uiso 1 1 calc R . .
C8 C -0.1172(5) 0.7049(3) 0.28354(19) 0.0454(11) Uani 1 1 d . . .
H8A H -0.1913 0.7366 0.2660 0.054 Uiso 1 1 calc R . .
C9 C -0.1446(4) 0.6574(3) 0.33390(19) 0.0411(10) Uani 1 1 d . . .
H9A H -0.2380 0.6566 0.3520 0.049 Uiso 1 1 calc R . .
C10 C -0.0353(4) 0.6107(3) 0.35812(17) 0.0358(8) Uani 1 1 d . . .
H10A H -0.0561 0.5773 0.3929 0.043 Uiso 1 1 calc R . .
C11 C 0.5266(4) 0.4155(3) 0.39066(15) 0.0312(8) Uani 1 1 d . . .
H11A H 0.4898 0.3647 0.3693 0.037 Uiso 1 1 calc R . .
C12 C 0.6528(4) 0.3930(3) 0.41165(16) 0.0349(8) Uani 1 1 d . . .
H12A H 0.7017 0.3286 0.4042 0.042 Uiso 1 1 calc R . .
C13 C 0.7063(4) 0.4657(3) 0.44350(16) 0.0353(8) Uani 1 1 d . . .
H13A H 0.7919 0.4517 0.4587 0.042 Uiso 1 1 calc R . .
C14 C 0.6333(4) 0.5589(3) 0.45288(15) 0.0316(8) Uani 1 1 d . . .
H14A H 0.6683 0.6099 0.4746 0.038 Uiso 1 1 calc R . .
C15 C 0.5075(4) 0.5777(3) 0.43022(14) 0.0257(7) Uani 1 1 d . . .
C16 C 0.4216(4) 0.6735(3) 0.43824(14) 0.0262(7) Uani 1 1 d . . .
C17 C 0.4571(4) 0.7575(3) 0.46806(16) 0.0331(8) Uani 1 1 d . . .
H17A H 0.5431 0.7559 0.4837 0.040 Uiso 1 1 calc R . .
C18 C 0.3663(4) 0.8433(3) 0.47470(17) 0.0363(9) Uani 1 1 d . . .
H18A H 0.3895 0.9013 0.4947 0.044 Uiso 1 1 calc R . .
C19 C 0.2412(4) 0.8433(3) 0.45176(16) 0.0318(8) Uani 1 1 d . . .
H19A H 0.1764 0.9008 0.4561 0.038 Uiso 1 1 calc R . .
C20 C 0.2122(4) 0.7581(3) 0.42243(15) 0.0291(7) Uani 1 1 d . . .
H20A H 0.1260 0.7585 0.4069 0.035 Uiso 1 1 calc R . .
C21 C 0.1390(4) 0.3520(3) 0.38655(14) 0.0263(7) Uani 1 1 d . . .
C22 C -0.0038(5) 0.2366(3) 0.44706(17) 0.0409(9) Uani 1 1 d . . .
H22A H 0.0018 0.2918 0.4737 0.061 Uiso 1 1 calc R . .
H22B H 0.0374 0.1724 0.4608 0.061 Uiso 1 1 calc R . .
H22C H -0.1024 0.2269 0.4423 0.061 Uiso 1 1 calc R . .
C23 C 0.0753(5) 0.1896(3) 0.34967(19) 0.0486(11) Uani 1 1 d . . .
H23A H 0.1295 0.2157 0.3161 0.073 Uiso 1 1 calc R . .
H23B H -0.0212 0.1787 0.3424 0.073 Uiso 1 1 calc R . .
H23C H 0.1187 0.1242 0.3608 0.073 Uiso 1 1 calc R . .
P1 P 0.80379(10) 0.91448(8) 0.42243(4) 0.0337(2) Uani 1 1 d . . .
F1 F 0.7964(3) 0.79961(18) 0.44672(11) 0.0460(6) Uani 1 1 d . . .
F2 F 0.7312(3) 0.8801(2) 0.37031(12) 0.0587(7) Uani 1 1 d . . .
F3 F 0.9553(3) 0.8843(2) 0.38955(11) 0.0571(7) Uani 1 1 d . . .
F4 F 0.8140(3) 1.0292(2) 0.39750(12) 0.0558(7) Uani 1 1 d . . .
F5 F 0.6538(3) 0.94332(19) 0.45485(13) 0.0554(7) Uani 1 1 d . . .
F6 F 0.8778(3) 0.9490(2) 0.47396(12) 0.0592(7) Uani 1 1 d . . .
Ru2 Ru 0.32396(3) 0.07558(2) 0.143315(11) 0.02892(8) Uani 1 1 d . . .
S3 S 0.28783(10) 0.23939(7) 0.18872(4) 0.0328(2) Uani 1 1 d . . .
S4 S 0.22986(12) 0.19360(8) 0.08009(4) 0.0421(3) Uani 1 1 d . . .
N6 N 0.3790(3) -0.0117(2) 0.20971(12) 0.0254(6) Uani 1 1 d . . .
N7 N 0.1306(3) 0.0422(2) 0.18379(12) 0.0290(6) Uani 1 1 d . . .
N8 N 0.5248(4) 0.0977(3) 0.10622(13) 0.0387(8) Uani 1 1 d . . .
N9 N 0.3619(4) -0.0536(3) 0.09456(12) 0.0365(8) Uani 1 1 d . . .
N10 N 0.1586(5) 0.3780(3) 0.12671(15) 0.0562(11) Uani 1 1 d . . .
C24 C 0.5087(4) -0.0474(3) 0.21737(15) 0.0305(8) Uani 1 1 d . . .
H24A H 0.5841 -0.0356 0.1893 0.037 Uiso 1 1 calc R . .
C25 C 0.5369(4) -0.1010(3) 0.26473(16) 0.0326(8) Uani 1 1 d . . .
H25A H 0.6300 -0.1250 0.2689 0.039 Uiso 1 1 calc R . .
C26 C 0.4287(4) -0.1187(3) 0.30551(16) 0.0350(8) Uani 1 1 d . . .
H26A H 0.4464 -0.1534 0.3387 0.042 Uiso 1 1 calc R . .
C27 C 0.2933(4) -0.0855(3) 0.29770(15) 0.0315(8) Uani 1 1 d . . .
H27A H 0.2168 -0.0981 0.3252 0.038 Uiso 1 1 calc R . .
C28 C 0.2706(4) -0.0334(3) 0.24890(14) 0.0264(7) Uani 1 1 d . . .
C29 C 0.1311(4) -0.0007(3) 0.23505(14) 0.0264(7) Uani 1 1 d . . .
C30 C 0.0079(4) -0.0128(3) 0.27058(17) 0.0359(8) Uani 1 1 d . . .
H30A H 0.0115 -0.0431 0.3061 0.043 Uiso 1 1 calc R . .
C31 C -0.1198(4) 0.0193(3) 0.2540(2) 0.0446(10) Uani 1 1 d . . .
H31A H -0.2046 0.0146 0.2782 0.054 Uiso 1 1 calc R . .
C32 C -0.1204(4) 0.0583(4) 0.2011(2) 0.0483(11) Uani 1 1 d . . .
H32A H -0.2069 0.0778 0.1878 0.058 Uiso 1 1 calc R . .
C33 C 0.0042(4) 0.0688(3) 0.16747(18) 0.0405(9) Uani 1 1 d . . .
H33A H 0.0012 0.0960 0.1312 0.049 Uiso 1 1 calc R . .
C34 C 0.5995(4) 0.1822(4) 0.11122(17) 0.0452(10) Uani 1 1 d . . .
H34A H 0.5575 0.2376 0.1333 0.054 Uiso 1 1 calc R . .
C35 C 0.7354(5) 0.1908(5) 0.08524(19) 0.0601(14) Uani 1 1 d . . .
H35A H 0.7850 0.2514 0.0895 0.072 Uiso 1 1 calc R . .
C36 C 0.7984(5) 0.1108(6) 0.0531(2) 0.0683(18) Uani 1 1 d . . .
H36A H 0.8917 0.1153 0.0353 0.082 Uiso 1 1 calc R . .
C37 C 0.7229(5) 0.0250(5) 0.04749(18) 0.0592(15) Uani 1 1 d . . .
H37A H 0.7639 -0.0309 0.0256 0.071 Uiso 1 1 calc R . .
C38 C 0.5857(5) 0.0196(4) 0.07405(15) 0.0438(11) Uani 1 1 d . . .
C39 C 0.4951(5) -0.0668(3) 0.06887(15) 0.0455(12) Uani 1 1 d . . .
C40 C 0.5381(6) -0.1565(4) 0.03953(18) 0.0607(16) Uani 1 1 d . . .
H40A H 0.6316 -0.1646 0.0217 0.073 Uiso 1 1 calc R . .
C41 C 0.4451(7) -0.2327(4) 0.03653(18) 0.0670(18) Uani 1 1 d . . .
H41A H 0.4741 -0.2947 0.0174 0.080 Uiso 1 1 calc R . .
C42 C 0.3084(6) -0.2187(3) 0.06169(17) 0.0563(14) Uani 1 1 d . . .
H42A H 0.2416 -0.2699 0.0594 0.068 Uiso 1 1 calc R . .
C43 C 0.2712(5) -0.1280(3) 0.09035(16) 0.0436(10) Uani 1 1 d . . .
H43A H 0.1775 -0.1183 0.1077 0.052 Uiso 1 1 calc R . .
C44 C 0.2168(5) 0.2846(3) 0.13111(15) 0.0385(9) Uani 1 1 d . . .
C45 C 0.0992(9) 0.4115(5) 0.0759(2) 0.102(3) Uani 1 1 d . . .
H45A H 0.1059 0.3540 0.0499 0.154 Uiso 1 1 calc R . .
H45B H 0.1520 0.4691 0.0588 0.154 Uiso 1 1 calc R . .
H45C H 0.0004 0.4337 0.0852 0.154 Uiso 1 1 calc R . .
C46 C 0.1580(7) 0.4535(4) 0.1710(2) 0.0672(16) Uani 1 1 d . . .
H46A H 0.1990 0.4213 0.2023 0.101 Uiso 1 1 calc R . .
H46B H 0.0611 0.4776 0.1832 0.101 Uiso 1 1 calc R . .
H46C H 0.2134 0.5122 0.1573 0.101 Uiso 1 1 calc R . .
P2 P -0.11169(14) -0.27937(10) 0.10384(6) 0.0513(3) Uani 1 1 d . . .
F7 F -0.1198(16) -0.3669(12) 0.1435(8) 0.063(3) Uani 0.50 1 d P A 1
F8 F -0.0773(19) -0.1799(14) 0.0562(5) 0.055(3) Uani 0.50 1 d P A 1
F9 F 0.0128(11) -0.2269(7) 0.1320(4) 0.070(3) Uani 0.50 1 d P A 1
F10 F -0.2698(9) -0.2889(8) 0.0880(4) 0.079(3) Uani 0.50 1 d P A 1
F11 F -0.0493(11) -0.3487(11) 0.0578(5) 0.073(3) Uani 0.50 1 d P A 1
F12 F -0.1908(11) -0.2220(8) 0.1616(4) 0.070(2) Uani 0.50 1 d P A 1
F7B F -0.1540(15) -0.3906(11) 0.1414(8) 0.061(3) Uani 0.50 1 d P A 2
F8B F -0.094(2) -0.1805(15) 0.0762(5) 0.072(4) Uani 0.50 1 d P A 2
F9B F 0.0271(9) -0.2839(7) 0.1330(4) 0.060(2) Uani 0.50 1 d P A 2
F10B F -0.2180(8) -0.3171(6) 0.0648(3) 0.0602(19) Uani 0.50 1 d P A 2
F11B F 0.0147(11) -0.3392(11) 0.0607(6) 0.075(3) Uani 0.50 1 d P A 2
F12B F -0.2235(9) -0.2102(7) 0.1367(4) 0.065(2) Uani 0.50 1 d P A 2
O1 O 0.6554(6) 1.2438(4) 0.3005(2) 0.1007(15) Uiso 1 1 d . . .
C47 C 0.5050(9) 1.1355(6) 0.3557(3) 0.098(2) Uiso 1 1 d . . .
C48 C 0.5372(9) 1.1804(7) 0.3050(4) 0.103(2) Uiso 1 1 d . . .
C49 C 0.6854(11) 1.3116(8) 0.2513(4) 0.124(3) Uiso 1 1 d . . .
C50 C 0.8145(13) 1.3652(9) 0.2538(5) 0.152(4) Uiso 1 1 d . . .
O2 O 0.5000 -0.5000 0.0000 0.0621(13) Uiso 1 2 d S . .
C51 C 0.5725(8) -0.5308(6) 0.0895(3) 0.092(2) Uiso 1 1 d . . .
C52 C 0.6066(11) -0.5062(8) 0.0244(4) 0.059(3) Uiso 0.50 1 d P . .
C53 C 0.5333(11) -0.4748(8) -0.0660(4) 0.058(3) Uiso 0.50 1 d P . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ru1 N3 171.56(12) . . ?
N2 Ru1 N1 78.79(12) . . ?
N3 Ru1 N1 95.92(11) . . ?
N2 Ru1 N4 95.41(11) . . ?
N3 Ru1 N4 78.30(11) . . ?
N1 Ru1 N4 94.18(11) . . ?
N2 Ru1 S2 88.56(8) . . ?
N3 Ru1 S2 98.35(8) . . ?
N1 Ru1 S2 93.04(8) . . ?
N4 Ru1 S2 172.32(8) . . ?
N2 Ru1 S1 95.60(9) . . ?
N3 Ru1 S1 91.06(8) . . ?
N1 Ru1 S1 165.30(8) . . ?
N4 Ru1 S1 99.90(8) . . ?
S2 Ru1 S1 73.11(3) . . ?
C21 S1 Ru1 87.09(12) . . ?
C21 S2 Ru1 87.91(12) . . ?
C1 N1 C5 117.7(3) . . ?
C1 N1 Ru1 126.3(2) . . ?
C5 N1 Ru1 115.7(2) . . ?
C10 N2 C6 117.5(3) . . ?
C10 N2 Ru1 126.7(3) . . ?
C6 N2 Ru1 115.8(2) . . ?
C11 N3 C15 118.2(3) . . ?
C11 N3 Ru1 125.6(2) . . ?
C15 N3 Ru1 116.2(2) . . ?
C20 N4 C16 118.1(3) . . ?
C20 N4 Ru1 126.1(2) . . ?
C16 N4 Ru1 115.8(2) . . ?
C21 N5 C23 122.1(3) . . ?
C21 N5 C22 121.8(3) . . ?
C23 N5 C22 116.1(3) . . ?
N1 C1 C2 123.7(4) . . ?
C1 C2 C3 118.1(4) . . ?
C4 C3 C2 119.3(4) . . ?
C3 C4 C5 120.2(4) . . ?
N1 C5 C4 121.1(4) . . ?
N1 C5 C6 114.8(3) . . ?
C4 C5 C6 124.1(3) . . ?
N2 C6 C7 121.1(4) . . ?
N2 C6 C5 114.8(3) . . ?
C7 C6 C5 124.2(4) . . ?
C8 C7 C6 119.9(4) . . ?
C9 C8 C7 119.0(4) . . ?
C8 C9 C10 119.3(4) . . ?
N2 C10 C9 123.2(4) . . ?
N3 C11 C12 122.8(3) . . ?
C13 C12 C11 119.1(4) . . ?
C14 C13 C12 118.9(3) . . ?
C13 C14 C15 119.6(3) . . ?
N3 C15 C14 121.5(3) . . ?
N3 C15 C16 114.8(3) . . ?
C14 C15 C16 123.8(3) . . ?
N4 C16 C17 121.2(3) . . ?
N4 C16 C15 114.6(3) . . ?
C17 C16 C15 124.2(3) . . ?
C18 C17 C16 119.7(3) . . ?
C19 C18 C17 118.9(3) . . ?
C20 C19 C18 118.8(3) . . ?
N4 C20 C19 123.3(3) . . ?
N5 C21 S2 124.0(3) . . ?
N5 C21 S1 124.2(3) . . ?
S2 C21 S1 111.82(19) . . ?
F5 P1 F6 90.38(17) . . ?
F5 P1 F2 90.23(16) . . ?
F6 P1 F2 179.33(18) . . ?
F5 P1 F1 90.49(14) . . ?
F6 P1 F1 90.05(15) . . ?
F2 P1 F1 90.21(15) . . ?
F5 P1 F4 90.53(15) . . ?
F6 P1 F4 89.91(16) . . ?
F2 P1 F4 89.81(16) . . ?
F1 P1 F4 178.98(16) . . ?
F5 P1 F3 179.52(17) . . ?
F6 P1 F3 89.86(17) . . ?
F2 P1 F3 89.53(16) . . ?
F1 P1 F3 89.09(14) . . ?
F4 P1 F3 89.89(15) . . ?
N7 Ru2 N8 174.89(12) . . ?
N7 Ru2 N9 99.54(13) . . ?
N8 Ru2 N9 78.28(15) . . ?
N7 Ru2 N6 78.30(11) . . ?
N8 Ru2 N6 96.97(12) . . ?
N9 Ru2 N6 88.73(11) . . ?
N7 Ru2 S4 94.05(9) . . ?
N8 Ru2 S4 90.91(9) . . ?
N9 Ru2 S4 100.65(9) . . ?
N6 Ru2 S4 168.83(8) . . ?
N7 Ru2 S3 85.51(9) . . ?
N8 Ru2 S3 97.16(11) . . ?
N9 Ru2 S3 172.17(9) . . ?
N6 Ru2 S3 98.20(8) . . ?
S4 Ru2 S3 72.88(3) . . ?
C44 S3 Ru2 87.23(14) . . ?
C44 S4 Ru2 87.83(13) . . ?
C24 N6 C28 118.3(3) . . ?
C24 N6 Ru2 126.6(2) . . ?
C28 N6 Ru2 115.1(2) . . ?
C33 N7 C29 117.2(3) . . ?
C33 N7 Ru2 126.6(3) . . ?
C29 N7 Ru2 115.7(2) . . ?
C34 N8 C38 118.2(4) . . ?
C34 N8 Ru2 125.7(3) . . ?
C38 N8 Ru2 116.2(3) . . ?
C43 N9 C39 118.5(4) . . ?
C43 N9 Ru2 125.6(3) . . ?
C39 N9 Ru2 115.6(3) . . ?
C44 N10 C46 120.9(4) . . ?
C44 N10 C45 121.2(4) . . ?
C46 N10 C45 117.9(4) . . ?
N6 C24 C25 122.6(3) . . ?
C26 C25 C24 119.2(3) . . ?
C25 C26 C27 119.2(3) . . ?
C26 C27 C28 119.2(3) . . ?
N6 C28 C27 121.4(3) . . ?
N6 C28 C29 115.0(3) . . ?
C27 C28 C29 123.6(3) . . ?
N7 C29 C30 122.0(3) . . ?
N7 C29 C28 114.5(3) . . ?
C30 C29 C28 123.5(3) . . ?
C31 C30 C29 119.7(4) . . ?
C32 C31 C30 118.1(4) . . ?
C33 C32 C31 120.0(4) . . ?
N7 C33 C32 122.8(4) . . ?
N8 C34 C35 122.2(5) . . ?
C36 C35 C34 119.8(6) . . ?
C37 C36 C35 118.4(5) . . ?
C36 C37 C38 120.1(5) . . ?
N8 C38 C37 121.4(5) . . ?
N8 C38 C39 114.5(4) . . ?
C37 C38 C39 124.1(4) . . ?
N9 C39 C40 121.1(5) . . ?
N9 C39 C38 114.9(4) . . ?
C40 C39 C38 124.0(4) . . ?
C41 C40 C39 119.7(5) . . ?
C40 C41 C42 119.4(4) . . ?
C41 C42 C43 118.6(5) . . ?
N9 C43 C42 122.7(5) . . ?
N10 C44 S4 124.1(3) . . ?
N10 C44 S3 124.1(3) . . ?
S4 C44 S3 111.8(2) . . ?
F8B P2 F7 166.2(10) . . ?
F8B P2 F11 99.4(8) . . ?
F7 P2 F11 91.2(10) . . ?
F8B P2 F12B 77.3(7) . . ?
F7 P2 F12B 96.3(9) . . ?
F11 P2 F12B 157.0(5) . . ?
F8B P2 F10B 94.3(9) . . ?
F7 P2 F10B 98.3(6) . . ?
F11 P2 F10B 64.6(5) . . ?
F12B P2 F10B 92.7(4) . . ?
F8B P2 F9B 98.5(9) . . ?
F7 P2 F9B 72.0(6) . . ?
F11 P2 F9B 93.2(5) . . ?
F12B P2 F9B 109.8(5) . . ?
F10B P2 F9B 156.1(5) . . ?
F8B P2 F10 93.2(9) . . ?
F7 P2 F10 95.1(6) . . ?
F11 P2 F10 92.9(5) . . ?
F12B P2 F10 64.8(5) . . ?
F10B P2 F10 28.5(3) . . ?
F9B P2 F10 165.8(5) . . ?
F8B P2 F9 75.1(9) . . ?
F7 P2 F9 93.1(6) . . ?
F11 P2 F9 109.8(6) . . ?
F12B P2 F9 91.5(5) . . ?
F10B P2 F9 167.3(4) . . ?
F9B P2 F9 26.9(3) . . ?
F10 P2 F9 155.6(5) . . ?
F8B P2 F11B 93.6(8) . . ?
F7 P2 F11B 92.9(9) . . ?
F11 P2 F11B 22.5(6) . . ?
F12B P2 F11B 170.7(6) . . ?
F10B P2 F11B 86.6(5) . . ?
F9B P2 F11B 72.5(5) . . ?
F10 P2 F11B 115.1(5) . . ?
F9 P2 F11B 87.4(6) . . ?
F8B P2 F12 91.2(7) . . ?
F7 P2 F12 78.6(9) . . ?
F11 P2 F12 169.3(7) . . ?
F12B P2 F12 25.6(3) . . ?
F10B P2 F12 113.3(5) . . ?
F9B P2 F12 86.7(5) . . ?
F10 P2 F12 84.9(5) . . ?
F9 P2 F12 74.3(5) . . ?
F11B P2 F12 159.2(5) . . ?
F8B P2 F7B 172.3(9) . . ?
F7 P2 F7B 14.0(9) . . ?
F11 P2 F7B 86.9(8) . . ?
F12B P2 F7B 95.2(7) . . ?
F10B P2 F7B 84.4(6) . . ?
F9B P2 F7B 85.5(6) . . ?
F10 P2 F7B 82.0(6) . . ?
F9 P2 F7B 107.1(6) . . ?
F11B P2 F7B 93.9(7) . . ?
F12 P2 F7B 82.5(7) . . ?
F8B P2 F8 14.4(11) . . ?
F7 P2 F8 172.1(9) . . ?
F11 P2 F8 85.1(8) . . ?
F12B P2 F8 89.7(7) . . ?
F10B P2 F8 86.4(6) . . ?
F9B P2 F8 101.3(7) . . ?
F10 P2 F8 92.0(7) . . ?
F9 P2 F8 81.7(6) . . ?
F11B P2 F8 81.0(8) . . ?
F12 P2 F8 105.4(7) . . ?
F7B P2 F8 169.7(8) . . ?
C48 O1 C49 119.9(7) . . ?
C47 C48 O1 114.9(7) . . ?
C50 C49 O1 110.7(9) . . ?
C52 O2 C52 180.0(8) 2_645 . ?
C52 O2 C53 66.3(6) 2_645 . ?
C52 O2 C53 113.7(6) . . ?
C52 O2 C53 113.7(6) 2_645 2_645 ?
C52 O2 C53 66.3(6) . 2_645 ?
C53 O2 C53 180.0(8) . 2_645 ?
C53 C51 C52 67.5(7) 2_645 . ?
O2 C52 C53 68.6(6) . 2_645 ?
O2 C52 C51 113.3(8) . . ?
C53 C52 C51 44.7(5) 2_645 . ?
C51 C53 C52 67.8(7) 2_645 2_645 ?
C51 C53 O2 112.9(8) 2_645 . ?
C52 C53 O2 45.1(5) 2_645 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 2.046(3) . ?
Ru1 N3 2.056(3) . ?
Ru1 N1 2.060(3) . ?
Ru1 N4 2.067(3) . ?
Ru1 S2 2.3840(9) . ?
Ru1 S1 2.4069(9) . ?
S1 C21 1.725(3) . ?
S2 C21 1.721(4) . ?
N1 C1 1.348(5) . ?
N1 C5 1.363(4) . ?
N2 C10 1.347(5) . ?
N2 C6 1.373(5) . ?
N3 C11 1.343(4) . ?
N3 C15 1.361(4) . ?
N4 C20 1.343(4) . ?
N4 C16 1.363(4) . ?
N5 C21 1.320(5) . ?
N5 C23 1.457(5) . ?
N5 C22 1.464(5) . ?
C1 C2 1.381(5) . ?
C2 C3 1.392(6) . ?
C3 C4 1.364(6) . ?
C4 C5 1.397(5) . ?
C5 C6 1.458(5) . ?
C6 C7 1.393(5) . ?
C7 C8 1.380(6) . ?
C8 C9 1.368(6) . ?
C9 C10 1.380(5) . ?
C11 C12 1.389(5) . ?
C12 C13 1.383(5) . ?
C13 C14 1.380(5) . ?
C14 C15 1.398(5) . ?
C15 C16 1.465(5) . ?
C16 C17 1.395(5) . ?
C17 C18 1.384(5) . ?
C18 C19 1.384(5) . ?
C19 C20 1.380(5) . ?
P1 F5 1.588(3) . ?
P1 F6 1.594(3) . ?
P1 F2 1.597(3) . ?
P1 F1 1.599(3) . ?
P1 F4 1.604(3) . ?
P1 F3 1.608(3) . ?
Ru2 N7 2.053(3) . ?
Ru2 N8 2.057(3) . ?
Ru2 N9 2.062(3) . ?
Ru2 N6 2.072(3) . ?
Ru2 S4 2.3870(10) . ?
Ru2 S3 2.4033(10) . ?
S3 C44 1.720(4) . ?
S4 C44 1.716(4) . ?
N6 C24 1.343(4) . ?
N6 C28 1.361(4) . ?
N7 C33 1.352(5) . ?
N7 C29 1.362(4) . ?
N8 C34 1.350(6) . ?
N8 C38 1.358(5) . ?
N9 C43 1.340(6) . ?
N9 C39 1.359(5) . ?
N10 C44 1.322(5) . ?
N10 C46 1.468(6) . ?
N10 C45 1.478(6) . ?
C24 C25 1.389(5) . ?
C25 C26 1.373(6) . ?
C26 C27 1.386(5) . ?
C27 C28 1.396(5) . ?
C28 C29 1.464(5) . ?
C29 C30 1.392(5) . ?
C30 C31 1.383(6) . ?
C31 C32 1.379(6) . ?
C32 C33 1.376(6) . ?
C34 C35 1.388(6) . ?
C35 C36 1.383(8) . ?
C36 C37 1.372(9) . ?
C37 C38 1.399(6) . ?
C38 C39 1.463(7) . ?
C39 C40 1.396(6) . ?
C40 C41 1.368(9) . ?
C41 C42 1.385(8) . ?
C42 C43 1.388(6) . ?
P2 F8B 1.450(17) . ?
P2 F7 1.481(16) . ?
P2 F11 1.499(12) . ?
P2 F12B 1.526(9) . ?
P2 F10B 1.572(8) . ?
P2 F9B 1.582(8) . ?
P2 F10 1.620(8) . ?
P2 F9 1.625(9) . ?
P2 F11B 1.677(13) . ?
P2 F12 1.683(10) . ?
P2 F7B 1.736(15) . ?
P2 F8 1.741(14) . ?
O1 C48 1.421(9) . ?
O1 C49 1.486(10) . ?
C47 C48 1.366(10) . ?
C49 C50 1.454(14) . ?
O2 C52 1.243(11) 2_645 ?
O2 C52 1.243(11) . ?
O2 C53 1.634(11) . ?
O2 C53 1.634(11) 2_645 ?
C51 C53 1.223(12) 2_645 ?
C51 C52 1.610(13) . ?
C52 C53 1.607(15) 2_645 ?
C53 C51 1.223(12) 2_645 ?
C53 C52 1.607(15) 2_645 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ru1 S1 C21 85.11(14) . . . . ?
N3 Ru1 S1 C21 -100.08(14) . . . . ?
N1 Ru1 S1 C21 18.4(4) . . . . ?
N4 Ru1 S1 C21 -178.38(14) . . . . ?
S2 Ru1 S1 C21 -1.67(12) . . . . ?
N2 Ru1 S2 C21 -94.62(14) . . . . ?
N3 Ru1 S2 C21 90.24(14) . . . . ?
N1 Ru1 S2 C21 -173.32(14) . . . . ?
N4 Ru1 S2 C21 26.7(6) . . . . ?
S1 Ru1 S2 C21 1.67(12) . . . . ?
N2 Ru1 N1 C1 -176.0(3) . . . . ?
N3 Ru1 N1 C1 10.7(3) . . . . ?
N4 Ru1 N1 C1 89.3(3) . . . . ?
S2 Ru1 N1 C1 -88.0(3) . . . . ?
S1 Ru1 N1 C1 -107.3(4) . . . . ?
N2 Ru1 N1 C5 -2.8(2) . . . . ?
N3 Ru1 N1 C5 -176.2(2) . . . . ?
N4 Ru1 N1 C5 -97.5(2) . . . . ?
S2 Ru1 N1 C5 85.1(2) . . . . ?
S1 Ru1 N1 C5 65.9(5) . . . . ?
N3 Ru1 N2 C10 -125.8(7) . . . . ?
N1 Ru1 N2 C10 -177.5(3) . . . . ?
N4 Ru1 N2 C10 -84.3(3) . . . . ?
S2 Ru1 N2 C10 89.1(3) . . . . ?
S1 Ru1 N2 C10 16.2(3) . . . . ?
N3 Ru1 N2 C6 52.5(9) . . . . ?
N1 Ru1 N2 C6 0.7(2) . . . . ?
N4 Ru1 N2 C6 93.9(2) . . . . ?
S2 Ru1 N2 C6 -92.7(2) . . . . ?
S1 Ru1 N2 C6 -165.5(2) . . . . ?
N2 Ru1 N3 C11 -139.9(7) . . . . ?
N1 Ru1 N3 C11 -89.1(3) . . . . ?
N4 Ru1 N3 C11 177.8(3) . . . . ?
S2 Ru1 N3 C11 4.9(3) . . . . ?
S1 Ru1 N3 C11 77.9(3) . . . . ?
N2 Ru1 N3 C15 38.7(9) . . . . ?
N1 Ru1 N3 C15 89.5(2) . . . . ?
N4 Ru1 N3 C15 -3.6(2) . . . . ?
S2 Ru1 N3 C15 -176.6(2) . . . . ?
S1 Ru1 N3 C15 -103.5(2) . . . . ?
N2 Ru1 N4 C20 8.2(3) . . . . ?
N3 Ru1 N4 C20 -177.5(3) . . . . ?
N1 Ru1 N4 C20 87.3(3) . . . . ?
S2 Ru1 N4 C20 -112.7(6) . . . . ?
S1 Ru1 N4 C20 -88.5(3) . . . . ?
N2 Ru1 N4 C16 -169.7(2) . . . . ?
N3 Ru1 N4 C16 4.6(2) . . . . ?
N1 Ru1 N4 C16 -90.6(2) . . . . ?
S2 Ru1 N4 C16 69.4(7) . . . . ?
S1 Ru1 N4 C16 93.6(2) . . . . ?
C5 N1 C1 C2 -0.3(5) . . . . ?
Ru1 N1 C1 C2 172.7(3) . . . . ?
N1 C1 C2 C3 1.1(6) . . . . ?
C1 C2 C3 C4 -1.4(6) . . . . ?
C2 C3 C4 C5 1.0(6) . . . . ?
C1 N1 C5 C4 -0.2(5) . . . . ?
Ru1 N1 C5 C4 -173.9(3) . . . . ?
C1 N1 C5 C6 178.1(3) . . . . ?
Ru1 N1 C5 C6 4.3(4) . . . . ?
C3 C4 C5 N1 -0.2(6) . . . . ?
C3 C4 C5 C6 -178.3(4) . . . . ?
C10 N2 C6 C7 0.2(5) . . . . ?
Ru1 N2 C6 C7 -178.2(3) . . . . ?
C10 N2 C6 C5 179.8(3) . . . . ?
Ru1 N2 C6 C5 1.3(4) . . . . ?
N1 C5 C6 N2 -3.7(4) . . . . ?
C4 C5 C6 N2 174.5(3) . . . . ?
N1 C5 C6 C7 175.8(3) . . . . ?
C4 C5 C6 C7 -6.0(6) . . . . ?
N2 C6 C7 C8 -0.5(6) . . . . ?
C5 C6 C7 C8 180.0(4) . . . . ?
C6 C7 C8 C9 0.9(6) . . . . ?
C7 C8 C9 C10 -1.0(6) . . . . ?
C6 N2 C10 C9 -0.3(5) . . . . ?
Ru1 N2 C10 C9 177.9(3) . . . . ?
C8 C9 C10 N2 0.7(6) . . . . ?
C15 N3 C11 C12 -0.5(5) . . . . ?
Ru1 N3 C11 C12 178.0(3) . . . . ?
N3 C11 C12 C13 1.0(6) . . . . ?
C11 C12 C13 C14 -0.7(6) . . . . ?
C12 C13 C14 C15 0.1(6) . . . . ?
C11 N3 C15 C14 -0.2(5) . . . . ?
Ru1 N3 C15 C14 -178.8(3) . . . . ?
C11 N3 C15 C16 -179.2(3) . . . . ?
Ru1 N3 C15 C16 2.1(4) . . . . ?
C13 C14 C15 N3 0.4(5) . . . . ?
C13 C14 C15 C16 179.3(3) . . . . ?
C20 N4 C16 C17 -1.9(5) . . . . ?
Ru1 N4 C16 C17 176.2(3) . . . . ?
C20 N4 C16 C15 177.1(3) . . . . ?
Ru1 N4 C16 C15 -4.9(4) . . . . ?
N3 C15 C16 N4 1.8(4) . . . . ?
C14 C15 C16 N4 -177.2(3) . . . . ?
N3 C15 C16 C17 -179.3(3) . . . . ?
C14 C15 C16 C17 1.7(6) . . . . ?
N4 C16 C17 C18 0.9(5) . . . . ?
C15 C16 C17 C18 -177.9(3) . . . . ?
C16 C17 C18 C19 0.5(6) . . . . ?
C17 C18 C19 C20 -0.8(6) . . . . ?
C16 N4 C20 C19 1.5(5) . . . . ?
Ru1 N4 C20 C19 -176.3(3) . . . . ?
C18 C19 C20 N4 -0.2(6) . . . . ?
C23 N5 C21 S2 -0.4(5) . . . . ?
C22 N5 C21 S2 179.3(3) . . . . ?
C23 N5 C21 S1 178.6(3) . . . . ?
C22 N5 C21 S1 -1.8(5) . . . . ?
Ru1 S2 C21 N5 176.7(3) . . . . ?
Ru1 S2 C21 S1 -2.41(17) . . . . ?
Ru1 S1 C21 N5 -176.7(3) . . . . ?
Ru1 S1 C21 S2 2.39(17) . . . . ?
N7 Ru2 S3 C44 -92.39(17) . . . . ?
N8 Ru2 S3 C44 91.98(17) . . . . ?
N9 Ru2 S3 C44 38.1(8) . . . . ?
N6 Ru2 S3 C44 -169.87(17) . . . . ?
S4 Ru2 S3 C44 3.25(15) . . . . ?
N7 Ru2 S4 C44 80.78(18) . . . . ?
N8 Ru2 S4 C44 -100.47(19) . . . . ?
N9 Ru2 S4 C44 -178.71(19) . . . . ?
N6 Ru2 S4 C44 34.5(5) . . . . ?
S3 Ru2 S4 C44 -3.25(16) . . . . ?
N7 Ru2 N6 C24 171.4(3) . . . . ?
N8 Ru2 N6 C24 -6.7(3) . . . . ?
N9 Ru2 N6 C24 71.4(3) . . . . ?
S4 Ru2 N6 C24 -141.2(4) . . . . ?
S3 Ru2 N6 C24 -105.0(3) . . . . ?
N7 Ru2 N6 C28 -8.9(2) . . . . ?
N8 Ru2 N6 C28 173.1(2) . . . . ?
N9 Ru2 N6 C28 -108.9(3) . . . . ?
S4 Ru2 N6 C28 38.5(6) . . . . ?
S3 Ru2 N6 C28 74.7(2) . . . . ?
N8 Ru2 N7 C33 -154.9(14) . . . . ?
N9 Ru2 N7 C33 -90.6(3) . . . . ?
N6 Ru2 N7 C33 -177.3(3) . . . . ?
S4 Ru2 N7 C33 10.9(3) . . . . ?
S3 Ru2 N7 C33 83.4(3) . . . . ?
N8 Ru2 N7 C29 33.1(16) . . . . ?
N9 Ru2 N7 C29 97.4(3) . . . . ?
N6 Ru2 N7 C29 10.7(2) . . . . ?
S4 Ru2 N7 C29 -161.1(2) . . . . ?
S3 Ru2 N7 C29 -88.7(2) . . . . ?
N7 Ru2 N8 C34 -120.0(14) . . . . ?
N9 Ru2 N8 C34 174.8(3) . . . . ?
N6 Ru2 N8 C34 -97.9(3) . . . . ?
S4 Ru2 N8 C34 74.1(3) . . . . ?
S3 Ru2 N8 C34 1.3(3) . . . . ?
N7 Ru2 N8 C38 60.0(16) . . . . ?
N9 Ru2 N8 C38 -5.1(2) . . . . ?
N6 Ru2 N8 C38 82.1(3) . . . . ?
S4 Ru2 N8 C38 -105.8(2) . . . . ?
S3 Ru2 N8 C38 -178.7(2) . . . . ?
N7 Ru2 N9 C43 5.5(3) . . . . ?
N8 Ru2 N9 C43 -179.2(3) . . . . ?
N6 Ru2 N9 C43 83.4(3) . . . . ?
S4 Ru2 N9 C43 -90.5(3) . . . . ?
S3 Ru2 N9 C43 -124.2(7) . . . . ?
N7 Ru2 N9 C39 -168.3(2) . . . . ?
N8 Ru2 N9 C39 7.0(2) . . . . ?
N6 Ru2 N9 C39 -90.4(3) . . . . ?
S4 Ru2 N9 C39 95.7(2) . . . . ?
S3 Ru2 N9 C39 61.9(8) . . . . ?
C28 N6 C24 C25 -3.2(5) . . . . ?
Ru2 N6 C24 C25 176.5(3) . . . . ?
N6 C24 C25 C26 0.2(6) . . . . ?
C24 C25 C26 C27 1.9(6) . . . . ?
C25 C26 C27 C28 -1.0(6) . . . . ?
C24 N6 C28 C27 4.2(5) . . . . ?
Ru2 N6 C28 C27 -175.6(3) . . . . ?
C24 N6 C28 C29 -174.2(3) . . . . ?
Ru2 N6 C28 C29 6.0(4) . . . . ?
C26 C27 C28 N6 -2.1(5) . . . . ?
C26 C27 C28 C29 176.1(3) . . . . ?
C33 N7 C29 C30 -2.8(5) . . . . ?
Ru2 N7 C29 C30 170.0(3) . . . . ?
C33 N7 C29 C28 176.5(3) . . . . ?
Ru2 N7 C29 C28 -10.7(4) . . . . ?
N6 C28 C29 N7 3.0(4) . . . . ?
C27 C28 C29 N7 -175.4(3) . . . . ?
N6 C28 C29 C30 -177.7(3) . . . . ?
C27 C28 C29 C30 3.9(5) . . . . ?
N7 C29 C30 C31 0.0(6) . . . . ?
C28 C29 C30 C31 -179.3(4) . . . . ?
C29 C30 C31 C32 3.0(6) . . . . ?
C30 C31 C32 C33 -3.0(7) . . . . ?
C29 N7 C33 C32 2.8(6) . . . . ?
Ru2 N7 C33 C32 -169.2(3) . . . . ?
C31 C32 C33 N7 0.2(7) . . . . ?
C38 N8 C34 C35 -0.7(6) . . . . ?
Ru2 N8 C34 C35 179.3(3) . . . . ?
N8 C34 C35 C36 -0.2(7) . . . . ?
C34 C35 C36 C37 0.6(7) . . . . ?
C35 C36 C37 C38 -0.1(7) . . . . ?
C34 N8 C38 C37 1.2(5) . . . . ?
Ru2 N8 C38 C37 -178.8(3) . . . . ?
C34 N8 C38 C39 -177.3(3) . . . . ?
Ru2 N8 C38 C39 2.7(4) . . . . ?
C36 C37 C38 N8 -0.8(6) . . . . ?
C36 C37 C38 C39 177.5(4) . . . . ?
C43 N9 C39 C40 -1.2(5) . . . . ?
Ru2 N9 C39 C40 173.1(3) . . . . ?
C43 N9 C39 C38 178.0(3) . . . . ?
Ru2 N9 C39 C38 -7.6(4) . . . . ?
N8 C38 C39 N9 3.3(5) . . . . ?
C37 C38 C39 N9 -175.2(3) . . . . ?
N8 C38 C39 C40 -177.5(4) . . . . ?
C37 C38 C39 C40 4.0(6) . . . . ?
N9 C39 C40 C41 -0.1(6) . . . . ?
C38 C39 C40 C41 -179.3(4) . . . . ?
C39 C40 C41 C42 1.4(7) . . . . ?
C40 C41 C42 C43 -1.4(7) . . . . ?
C39 N9 C43 C42 1.2(6) . . . . ?
Ru2 N9 C43 C42 -172.5(3) . . . . ?
C41 C42 C43 N9 0.1(6) . . . . ?
C46 N10 C44 S4 -176.7(4) . . . . ?
C45 N10 C44 S4 -0.2(8) . . . . ?
C46 N10 C44 S3 3.6(7) . . . . ?
C45 N10 C44 S3 -179.8(5) . . . . ?
Ru2 S4 C44 N10 -175.0(4) . . . . ?
Ru2 S4 C44 S3 4.7(2) . . . . ?
Ru2 S3 C44 N10 175.0(4) . . . . ?
Ru2 S3 C44 S4 -4.7(2) . . . . ?
C49 O1 C48 C47 -168.9(7) . . . . ?
C48 O1 C49 C50 -176.9(8) . . . . ?
C52 O2 C52 C53 -34(100) 2_645 . . 2_645 ?
C53 O2 C52 C53 180.0 . . . 2_645 ?
C52 O2 C52 C51 -35(100) 2_645 . . . ?
C53 O2 C52 C51 179.9(7) . . . . ?
C53 O2 C52 C51 -0.1(7) 2_645 . . . ?
C53 C51 C52 O2 0.2(9) 2_645 . . . ?
C52 O2 C53 C51 -0.2(9) 2_645 . . 2_645 ?
C52 O2 C53 C51 179.8(9) . . . 2_645 ?
C53 O2 C53 C51 -116(100) 2_645 . . 2_645 ?
C52 O2 C53 C52 180.0 . . . 2_645 ?
C53 O2 C53 C52 -115(100) 2_645 . . 2_645 ?
