#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:02:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179167 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/28/4312858.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_4312858
loop_
_publ_author_name
'Richard Y. C. Shin'
'Martin A. Bennett'
'Lai Yoong Goh'
'Wei Chen'
'David C. R. Hockless'
'Weng Kee Leong'
'Kazushi Mashima'
'Anthony C. Willis'
_publ_section_title
;
 Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate
 Thioether Derivatives Resulting from Ring-Closure Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              96
_journal_page_last               106
_journal_paper_doi               10.1021/ic0203419
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C22 H40 F12 N2 O4 P2 Ru S3'
_chemical_formula_weight         883.75
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.4450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6608(4)
_cell_length_b                   31.0220(13)
_cell_length_c                   10.5648(4)
_cell_measurement_reflns_used    4544
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      24.70
_cell_measurement_theta_min      2.40
_cell_volume                     3333.3(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_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      193(2)
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            34159
_diffrn_reflns_theta_full        29.91
_diffrn_reflns_theta_max         29.91
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.8970
_exptl_absorpt_correction_T_min  0.8084
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.273
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         8987
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.270
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0568P)²+8.9070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1480
_refine_ls_wR_factor_ref         0.1562
_reflns_number_gt                7449
_reflns_number_total             8987
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0203419_8.cif
_cod_data_source_block           rs8=(16)(PF6)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4312858
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.81267(4) 0.124153(12) 0.51558(4) 0.01665(11) Uani 1 1 d . . .
S1 S 0.61656(13) 0.10581(4) 0.55360(13) 0.0252(3) Uani 1 1 d . . .
S2 S 0.69257(13) 0.17502(4) 0.36464(13) 0.0258(3) Uani 1 1 d . . .
S3 S 0.77435(13) 0.06419(4) 0.37462(13) 0.0252(3) Uani 1 1 d . . .
C1 C 0.5438(6) 0.18067(19) 0.4150(6) 0.0350(13) Uani 1 1 d . . .
H1A H 0.5637 0.1974 0.4962 0.042 Uiso 1 1 calc R . .
H1B H 0.4779 0.1962 0.3468 0.042 Uiso 1 1 calc R . .
C2 C 0.4895(5) 0.13757(19) 0.4373(6) 0.0340(13) Uani 1 1 d . . .
H2A H 0.4579 0.1223 0.3536 0.041 Uiso 1 1 calc R . .
H2B H 0.4160 0.1417 0.4723 0.041 Uiso 1 1 calc R . .
C3 C 0.5765(6) 0.05231(17) 0.4827(6) 0.0325(12) Uani 1 1 d . . .
H3A H 0.6274 0.0311 0.5443 0.039 Uiso 1 1 calc R . .
H3B H 0.4842 0.0465 0.4701 0.039 Uiso 1 1 calc R . .
C4 C 0.6044(5) 0.04783(19) 0.3521(6) 0.0338(13) Uani 1 1 d . . .
H4A H 0.5449 0.0659 0.2859 0.041 Uiso 1 1 calc R . .
H4B H 0.5917 0.0182 0.3220 0.041 Uiso 1 1 calc R . .
C5 C 0.7771(6) 0.0724(2) 0.2035(5) 0.0357(13) Uani 1 1 d . . .
H5A H 0.8316 0.0502 0.1819 0.043 Uiso 1 1 calc R . .
H5B H 0.6886 0.0688 0.1442 0.043 Uiso 1 1 calc R . .
C6 C 0.8282(6) 0.1161(2) 0.1783(5) 0.0377(14) Uani 1 1 d . . .
H6A H 0.8791 0.1125 0.1167 0.045 Uiso 1 1 calc R . .
H6B H 0.8873 0.1268 0.2611 0.045 Uiso 1 1 calc R . .
C7 C 0.7227(6) 0.1501(2) 0.1226(6) 0.0400(14) Uani 1 1 d . . .
H7A H 0.7660 0.1776 0.1220 0.048 Uiso 1 1 calc R . .
H7B H 0.6770 0.1428 0.0311 0.048 Uiso 1 1 calc R . .
C8 C 0.6205(6) 0.15601(19) 0.1958(5) 0.0315(12) Uani 1 1 d . . .
H8A H 0.5768 0.1287 0.1977 0.038 Uiso 1 1 calc R . .
H8B H 0.5548 0.1765 0.1477 0.038 Uiso 1 1 calc R . .
C9 C 0.9236(6) 0.17924(17) 0.6357(5) 0.0294(11) Uani 1 1 d . . .
C10 C 0.8860(5) 0.15089(17) 0.7226(5) 0.0251(11) Uani 1 1 d . . .
C11 C 0.9227(5) 0.10620(16) 0.7262(5) 0.0233(10) Uani 1 1 d . . .
C12 C 0.9955(5) 0.09085(17) 0.6447(5) 0.0245(10) Uani 1 1 d . . .
C13 C 1.0352(5) 0.12007(18) 0.5564(5) 0.0271(11) Uani 1 1 d . . .
C14 C 0.9980(5) 0.16382(19) 0.5518(5) 0.0286(12) Uani 1 1 d . . .
C15 C 0.8900(8) 0.22660(19) 0.6367(7) 0.0493(17) Uani 1 1 d . . .
H15A H 0.8076 0.2298 0.6550 0.074 Uiso 1 1 calc R . .
H15B H 0.8835 0.2390 0.5517 0.074 Uiso 1 1 calc R . .
H15C H 0.9577 0.2411 0.7041 0.074 Uiso 1 1 calc R . .
C16 C 0.8093(6) 0.1663(2) 0.8122(6) 0.0372(14) Uani 1 1 d . . .
H16A H 0.8689 0.1736 0.8973 0.056 Uiso 1 1 calc R . .
H16B H 0.7512 0.1439 0.8227 0.056 Uiso 1 1 calc R . .
H16C H 0.7588 0.1913 0.7739 0.056 Uiso 1 1 calc R . .
C17 C 0.8850(7) 0.0762(2) 0.8210(6) 0.0411(15) Uani 1 1 d . . .
H17A H 0.8976 0.0469 0.7983 0.062 Uiso 1 1 calc R . .
H17B H 0.7943 0.0806 0.8152 0.062 Uiso 1 1 calc R . .
H17C H 0.9390 0.0820 0.9099 0.062 Uiso 1 1 calc R . .
C18 C 1.0361(6) 0.0443(2) 0.6478(7) 0.0392(14) Uani 1 1 d . . .
H18A H 1.1185 0.0403 0.7154 0.059 Uiso 1 1 calc R . .
H18B H 1.0453 0.0364 0.5631 0.059 Uiso 1 1 calc R . .
H18C H 0.9703 0.0265 0.6667 0.059 Uiso 1 1 calc R . .
C19 C 1.1179(6) 0.1033(3) 0.4745(6) 0.0471(17) Uani 1 1 d . . .
H19A H 1.1261 0.1251 0.4130 0.071 Uiso 1 1 calc R . .
H19B H 1.0770 0.0782 0.4265 0.071 Uiso 1 1 calc R . .
H19C H 1.2036 0.0958 0.5317 0.071 Uiso 1 1 calc R . .
C20 C 1.0372(7) 0.1953(2) 0.4620(7) 0.0464(17) Uani 1 1 d . . .
H20A H 1.0548 0.1799 0.3902 0.070 Uiso 1 1 calc R . .
H20B H 1.1148 0.2105 0.5114 0.070 Uiso 1 1 calc R . .
H20C H 0.9670 0.2154 0.4270 0.070 Uiso 1 1 calc R . .
P1 P 0.43900(14) 0.07190(5) 0.83537(14) 0.0268(3) Uani 1 1 d . . .
P2 P 0.17735(14) 0.17138(5) 0.10913(15) 0.0293(3) Uani 1 1 d . . .
F11 F 0.5027(4) 0.11691(11) 0.8159(4) 0.0446(6) Uani 1 1 d . . .
F12 F 0.3740(4) 0.02683(11) 0.8544(4) 0.0446(6) Uani 1 1 d . . .
F13 F 0.5769(4) 0.04922(13) 0.8575(4) 0.0502(7) Uani 1 1 d . . .
F14 F 0.2999(4) 0.09464(13) 0.8122(4) 0.0502(7) Uani 1 1 d . . .
F15 F 0.4039(4) 0.06238(13) 0.6793(3) 0.0457(6) Uani 1 1 d . . .
F16 F 0.4733(4) 0.08095(13) 0.9905(3) 0.0457(6) Uani 1 1 d . . .
F21 F 0.3155(4) 0.15705(18) 0.1014(5) 0.0826(12) Uani 1 1 d D A .
F22 F 0.0375(4) 0.18505(18) 0.1199(5) 0.0826(12) Uani 1 1 d D A .
F23 F 0.1098(11) 0.1321(4) 0.0215(19) 0.134(7) Uani 0.50 1 d PD A 1
F24 F 0.2350(10) 0.2114(4) 0.182(2) 0.134(7) Uani 0.50 1 d PD A 1
F25 F 0.2027(11) 0.1425(5) 0.2307(12) 0.097(5) Uani 0.50 1 d PD A 1
F26 F 0.1389(11) 0.1972(6) -0.0290(11) 0.097(5) Uani 0.50 1 d PD A 1
F33 F 0.1217(10) 0.1500(6) -0.0236(11) 0.093(4) Uani 0.50 1 d PD A 2
F34 F 0.2383(9) 0.1895(6) 0.2581(11) 0.093(4) Uani 0.50 1 d PD A 2
F35 F 0.1634(17) 0.1283(4) 0.1760(19) 0.158(8) Uani 0.50 1 d PD A 2
F36 F 0.1927(18) 0.2140(3) 0.051(2) 0.158(8) Uani 0.50 1 d PD A 2
C101 C 0.2371(7) 0.0385(2) 0.0707(7) 0.0454(16) Uani 1 1 d . . .
H10A H 0.1759 0.0258 -0.0063 0.068 Uiso 1 1 calc R . .
H10B H 0.3185 0.0228 0.0927 0.068 Uiso 1 1 calc R . .
H10C H 0.2527 0.0680 0.0524 0.068 Uiso 1 1 calc R . .
C102 C 0.3412(8) 0.2045(2) 0.8269(8) 0.058(2) Uani 1 1 d . . .
H10D H 0.3964 0.2009 0.9166 0.086 Uiso 1 1 calc R . .
H10E H 0.2866 0.1795 0.8004 0.086 Uiso 1 1 calc R . .
H10F H 0.2869 0.2295 0.8213 0.086 Uiso 1 1 calc R . .
N101 N 0.1823(5) 0.03660(16) 0.1828(5) 0.0364(11) Uani 1 1 d . . .
N102 N 0.4234(10) 0.2098(2) 0.7390(10) 0.076(2) Uani 1 1 d . . .
O101 O 0.2579(6) 0.03458(19) 0.2945(5) 0.0635(15) Uani 1 1 d . . .
O102 O 0.0639(5) 0.03631(16) 0.1586(6) 0.0563(13) Uani 1 1 d . . .
O103 O 0.5246(9) 0.2242(3) 0.7751(15) 0.170(6) Uani 1 1 d . . .
O104 O 0.3707(11) 0.1964(3) 0.6231(9) 0.127(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C9 Ru1 C10 36.70(19) . . ?
C9 Ru1 C11 66.38(19) . . ?
C10 Ru1 C11 37.26(19) . . ?
C9 Ru1 C14 37.2(2) . . ?
C10 Ru1 C14 66.65(19) . . ?
C11 Ru1 C14 78.32(18) . . ?
C9 Ru1 C12 78.13(19) . . ?
C10 Ru1 C12 66.25(19) . . ?
C11 Ru1 C12 36.20(18) . . ?
C14 Ru1 C12 66.2(2) . . ?
C9 Ru1 C13 66.0(2) . . ?
C10 Ru1 C13 78.37(19) . . ?
C11 Ru1 C13 66.15(19) . . ?
C14 Ru1 C13 36.2(2) . . ?
C12 Ru1 C13 37.21(19) . . ?
C9 Ru1 S1 116.07(15) . . ?
C10 Ru1 S1 89.45(14) . . ?
C11 Ru1 S1 89.88(13) . . ?
C14 Ru1 S1 153.29(15) . . ?
C12 Ru1 S1 116.24(14) . . ?
C13 Ru1 S1 153.44(14) . . ?
C9 Ru1 S2 87.68(15) . . ?
C10 Ru1 S2 112.00(14) . . ?
C11 Ru1 S2 149.18(14) . . ?
C14 Ru1 S2 91.14(15) . . ?
C12 Ru1 S2 156.39(14) . . ?
C13 Ru1 S2 119.51(14) . . ?
S1 Ru1 S2 86.89(5) . . ?
C9 Ru1 S3 158.02(15) . . ?
C10 Ru1 S3 148.78(15) . . ?
C11 Ru1 S3 111.83(14) . . ?
C14 Ru1 S3 121.14(15) . . ?
C12 Ru1 S3 88.58(13) . . ?
C13 Ru1 S3 92.83(14) . . ?
S1 Ru1 S3 85.45(5) . . ?
S2 Ru1 S3 98.47(5) . . ?
C3 S1 C2 100.4(3) . . ?
C3 S1 Ru1 105.39(19) . . ?
C2 S1 Ru1 106.11(19) . . ?
C8 S2 C1 99.7(3) . . ?
C8 S2 Ru1 115.81(19) . . ?
C1 S2 Ru1 102.3(2) . . ?
C4 S3 C5 102.6(3) . . ?
C4 S3 Ru1 106.29(18) . . ?
C5 S3 Ru1 117.8(2) . . ?
C2 C1 S2 111.7(4) . . ?
C1 C2 S1 110.1(4) . . ?
C4 C3 S1 112.1(4) . . ?
C3 C4 S3 108.4(4) . . ?
C6 C5 S3 114.2(4) . . ?
C5 C6 C7 115.1(5) . . ?
C8 C7 C6 116.3(5) . . ?
C7 C8 S2 112.4(4) . . ?
C10 C9 C14 120.7(5) . . ?
C10 C9 C15 119.1(5) . . ?
C14 C9 C15 120.2(5) . . ?
C10 C9 Ru1 71.9(3) . . ?
C14 C9 Ru1 72.1(3) . . ?
C15 C9 Ru1 131.2(4) . . ?
C9 C10 C11 119.2(5) . . ?
C9 C10 C16 121.7(5) . . ?
C11 C10 C16 119.1(5) . . ?
C9 C10 Ru1 71.4(3) . . ?
C11 C10 Ru1 71.5(3) . . ?
C16 C10 Ru1 129.4(4) . . ?
C12 C11 C10 120.5(5) . . ?
C12 C11 C17 120.3(5) . . ?
C10 C11 C17 119.2(5) . . ?
C12 C11 Ru1 72.4(3) . . ?
C10 C11 Ru1 71.3(3) . . ?
C17 C11 Ru1 130.2(4) . . ?
C11 C12 C13 120.2(5) . . ?
C11 C12 C18 121.4(5) . . ?
C13 C12 C18 118.4(5) . . ?
C11 C12 Ru1 71.4(3) . . ?
C13 C12 Ru1 72.1(3) . . ?
C18 C12 Ru1 129.8(4) . . ?
C14 C13 C12 119.3(5) . . ?
C14 C13 C19 121.4(5) . . ?
C12 C13 C19 119.2(5) . . ?
C14 C13 Ru1 71.0(3) . . ?
C12 C13 Ru1 70.7(3) . . ?
C19 C13 Ru1 131.8(4) . . ?
C13 C14 C9 120.0(5) . . ?
C13 C14 C20 121.2(5) . . ?
C9 C14 C20 118.8(5) . . ?
C13 C14 Ru1 72.8(3) . . ?
C9 C14 Ru1 70.7(3) . . ?
C20 C14 Ru1 129.8(4) . . ?
F13 P1 F11 89.8(2) . . ?
F13 P1 F16 90.6(2) . . ?
F11 P1 F16 90.2(2) . . ?
F13 P1 F14 179.7(3) . . ?
F11 P1 F14 90.3(2) . . ?
F16 P1 F14 89.8(2) . . ?
F13 P1 F12 90.6(2) . . ?
F11 P1 F12 179.6(3) . . ?
F16 P1 F12 90.0(2) . . ?
F14 P1 F12 89.3(2) . . ?
F13 P1 F15 89.4(2) . . ?
F11 P1 F15 90.3(2) . . ?
F16 P1 F15 179.5(2) . . ?
F14 P1 F15 90.2(2) . . ?
F12 P1 F15 89.5(2) . . ?
F36 P2 F24 52.8(9) . . ?
F36 P2 F33 93.8(10) . . ?
F24 P2 F33 146.5(10) . . ?
F36 P2 F25 149.2(10) . . ?
F24 P2 F25 96.6(10) . . ?
F33 P2 F25 116.6(10) . . ?
F36 P2 F35 177.4(9) . . ?
F24 P2 F35 124.6(10) . . ?
F33 P2 F35 88.8(9) . . ?
F25 P2 F35 28.2(9) . . ?
F36 P2 F21 90.5(5) . . ?
F24 P2 F21 90.8(5) . . ?
F33 P2 F21 86.6(4) . . ?
F25 P2 F21 86.9(4) . . ?
F35 P2 F21 90.0(5) . . ?
F36 P2 F23 122.2(11) . . ?
F24 P2 F23 174.6(9) . . ?
F33 P2 F23 28.8(9) . . ?
F25 P2 F23 88.6(9) . . ?
F35 P2 F23 60.4(9) . . ?
F21 P2 F23 91.2(5) . . ?
F36 P2 F22 90.9(5) . . ?
F24 P2 F22 89.5(5) . . ?
F33 P2 F22 93.9(4) . . ?
F25 P2 F22 91.7(4) . . ?
F35 P2 F22 88.7(5) . . ?
F21 P2 F22 178.5(3) . . ?
F23 P2 F22 88.6(5) . . ?
F36 P2 F26 37.8(8) . . ?
F24 P2 F26 90.3(9) . . ?
F33 P2 F26 56.7(8) . . ?
F25 P2 F26 172.9(9) . . ?
F35 P2 F26 144.7(10) . . ?
F21 P2 F26 94.7(4) . . ?
F23 P2 F26 84.5(9) . . ?
F22 P2 F26 86.7(4) . . ?
F36 P2 F34 91.9(9) . . ?
F24 P2 F34 39.2(8) . . ?
F33 P2 F34 174.2(9) . . ?
F25 P2 F34 57.6(8) . . ?
F35 P2 F34 85.5(9) . . ?
F21 P2 F34 92.3(3) . . ?
F23 P2 F34 145.7(10) . . ?
F22 P2 F34 87.1(4) . . ?
F26 P2 F34 129.1(9) . . ?
O102 N101 O101 123.5(6) . . ?
O102 N101 C101 118.1(6) . . ?
O101 N101 C101 118.4(6) . . ?
O103 N102 O104 124.5(11) . . ?
O103 N102 C102 121.8(11) . . ?
O104 N102 C102 113.7(9) . . ?
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 C9 2.242(5) . ?
Ru1 C10 2.249(5) . ?
Ru1 C11 2.252(5) . ?
Ru1 C14 2.260(5) . ?
Ru1 C12 2.266(5) . ?
Ru1 C13 2.284(5) . ?
Ru1 S1 2.3151(13) . ?
Ru1 S2 2.3341(13) . ?
Ru1 S3 2.3410(13) . ?
S1 C3 1.818(5) . ?
S1 C2 1.821(6) . ?
S2 C8 1.816(5) . ?
S2 C1 1.826(6) . ?
S3 C4 1.827(6) . ?
S3 C5 1.835(6) . ?
C1 C2 1.503(8) . ?
C3 C4 1.502(8) . ?
C5 C6 1.516(9) . ?
C6 C7 1.526(9) . ?
C7 C8 1.523(8) . ?
C9 C10 1.414(8) . ?
C9 C14 1.437(8) . ?
C9 C15 1.513(8) . ?
C10 C11 1.438(7) . ?
C10 C16 1.502(7) . ?
C11 C12 1.404(7) . ?
C11 C17 1.508(7) . ?
C12 C13 1.451(7) . ?
C12 C18 1.505(8) . ?
C13 C14 1.411(8) . ?
C13 C19 1.502(8) . ?
C14 C20 1.505(7) . ?
P1 F13 1.583(4) . ?
P1 F11 1.593(4) . ?
P1 F16 1.593(4) . ?
P1 F14 1.593(4) . ?
P1 F12 1.599(4) . ?
P1 F15 1.605(4) . ?
P2 F36 1.491(9) . ?
P2 F24 1.491(9) . ?
P2 F33 1.503(9) . ?
P2 F25 1.523(10) . ?
P2 F35 1.539(9) . ?
P2 F21 1.564(4) . ?
P2 F23 1.568(10) . ?
P2 F22 1.586(4) . ?
P2 F26 1.606(9) . ?
P2 F34 1.614(8) . ?
C101 N101 1.471(8) . ?
C102 N102 1.464(10) . ?
N101 O102 1.210(7) . ?
N101 O101 1.215(7) . ?
N102 O103 1.122(11) . ?
N102 O104 1.256(12) . ?
