#------------------------------------------------------------------------------
#$Date: 2017-01-29 19:58:41 +0200 (Sun, 29 Jan 2017) $
#$Revision: 191072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/20/4322070.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_4322070
loop_
_publ_author_name
'Takafumi Iwasa'
'Hitoshi Shimada'
'Atsushi Takami'
'Hiroyuki Matsuzaka'
'Youichi Ishii'
'Masanobu Hidai'
_publ_contact_author
;
    Masanobu Hidai
  Department of Chemistry and Biotechnology, Graduate School of Engineering,
  The University of Tokyo, Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan
;
_publ_contact_author_fax         ' +81-3-5800-6945 '
_publ_contact_author_phone       ' +81-3-3812-2111 ext 7261 '
_publ_section_title
;
 Preparation of Cationic Dinuclear Hydrido Complexes of Ruthenium,
 Rhodium, and Iridium with Bridging Thiolato Ligands and Their Reactions
 with Nitrosobenzene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2851
_journal_page_last               2859
_journal_paper_doi               10.1021/ic981274e
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C29 H48 F3 N O3 Ru2 S3'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed Jul 22 11:59:56 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                104.385(8)
_cell_angle_beta                 94.942(8)
_cell_angle_gamma                90.446(8)
_cell_formula_units_Z            2.00
_cell_length_a                   9.747(1)
_cell_length_b                   12.578(1)
_cell_length_c                   15.049(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    20.0
_cell_measurement_theta_max      39.55
_cell_measurement_theta_min      38.90
_cell_volume                     1779.7(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.00459
_diffrn_orient_matrix_UB_12      0.07725
_diffrn_orient_matrix_UB_13      -0.00622
_diffrn_orient_matrix_UB_21      -0.01080
_diffrn_orient_matrix_UB_22      -0.02758
_diffrn_orient_matrix_UB_23      -0.06860
_diffrn_orient_matrix_UB_31      -0.10236
_diffrn_orient_matrix_UB_32      0.00387
_diffrn_orient_matrix_UB_33      0.00065
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  1.22
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8556
_diffrn_reflns_theta_max         27.5092
_diffrn_reflns_theta_min         2.63
_diffrn_standards_decay_%        -1.56
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 10.690
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             832.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         -0.93760
_refine_diff_density_min         1.30260
_refine_ls_extinction_coef       4.64256
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.500
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         5396
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0470
_refine_ls_shift/esd_max         0.9780
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0470
_cod_data_source_file            ic981274e_1.cif
_cod_data_source_block           '[Cp*RuH((J-SPri)2Ru(NCMe)Cp*][OTf](Compound5)'
_cod_original_cell_volume        1779.6(7)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C29 H48 Ru2 S3 F3 N O3'
_cod_database_code               4322070
_cod_depositor_comments
;
 Changing the values of the _geom_angle_atom_site_label_1,
 _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3,
 _geom_bond_atom_site_label_1 and _geom_bond_atom_site_label_2
 data items to match the _atom_site_label data item values.

 Antanas Vaitkus,
 2017-01-29
;
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Ru1 0.19089(5) 0.38038(4) -0.29088(3) 0.0488(2) Uij ? ?
Ru2 0.15191(5) 0.19819(4) -0.21820(3) 0.0415(1) Uij ? ?
S1 0.1452(2) 0.3848(1) -0.1447(1) 0.0518(5) Uij ? ?
S2 0.2522(2) 0.2056(1) -0.35167(10) 0.0472(4) Uij ? ?
S3 0.2643(4) 0.1108(3) 0.1898(3) 0.152(1) Uij ? ?
F1 0.5105(7) 0.1459(7) 0.2172(8) 0.247(5) Uij ? ?
F2 0.3809(8) 0.2928(6) 0.2484(9) 0.295(5) Uij ? ?
F3 0.397(1) 0.1929(8) 0.3330(5) 0.292(6) Uij ? ?
O1 0.2882(8) 0.0094(6) 0.2067(8) 0.214(5) Uij ? ?
O2 0.1449(8) 0.1718(7) 0.2331(9) 0.249(5) Uij ? ?
O3 0.289(1) 0.125(1) 0.1013(7) 0.301(7) Uij ? ?
N1 0.3414(5) 0.1876(4) -0.1484(3) 0.051(2) Uij ? ?
C1 0.168(1) 0.5474(6) -0.3048(6) 0.091(3) Uij ? ?
C2 0.2249(8) 0.4874(7) -0.3814(6) 0.077(3) Uij ? ?
C3 0.1279(10) 0.4094(6) -0.4316(5) 0.076(3) Uij ? ?
C4 0.0067(9) 0.4208(8) -0.3898(7) 0.090(3) Uij ? ?
C5 0.032(1) 0.5063(9) -0.3091(7) 0.101(4) Uij ? ?
C6 0.226(2) 0.6537(7) -0.2400(8) 0.217(6) Uij ? ?
C7 0.365(1) 0.5148(10) -0.4097(9) 0.174(6) Uij ? ?
C8 0.150(1) 0.3320(8) -0.5230(6) 0.166(5) Uij ? ?
C9 -0.129(1) 0.365(1) -0.4294(10) 0.222(7) Uij ? ?
C10 -0.073(2) 0.552(1) -0.2445(9) 0.259(8) Uij ? ?
C11 -0.0012(6) 0.1413(5) -0.1374(4) 0.055(2) Uij ? ?
C12 -0.0702(6) 0.1733(5) -0.2147(4) 0.054(2) Uij ? ?
C13 -0.0289(6) 0.1020(5) -0.2958(4) 0.052(2) Uij ? ?
C14 0.0656(7) 0.0272(5) -0.2705(4) 0.057(2) Uij ? ?
C15 0.0808(6) 0.0514(5) -0.1726(4) 0.056(2) Uij ? ?
C16 -0.0279(7) 0.1877(6) -0.0384(5) 0.079(3) Uij ? ?
C17 -0.1799(7) 0.2567(6) -0.2077(5) 0.072(2) Uij ? ?
C18 -0.0874(7) 0.0930(6) -0.3930(5) 0.076(3) Uij ? ?
C19 0.1247(8) -0.0694(5) -0.3337(5) 0.084(3) Uij ? ?
C20 0.1636(8) -0.0136(6) -0.1172(5) 0.081(3) Uij ? ?
C21 0.2912(7) 0.4307(5) -0.0562(4) 0.066(2) Uij ? ?
C22 0.3140(9) 0.5533(6) -0.0410(6) 0.103(3) Uij ? ?
C23 0.2583(9) 0.4000(7) 0.0312(5) 0.102(3) Uij ? ?
C24 0.4382(6) 0.1813(6) -0.3446(4) 0.064(2) Uij ? ?
C25 0.5018(8) 0.2275(7) -0.4162(6) 0.098(3) Uij ? ?
C26 0.4589(8) 0.0593(7) -0.3610(6) 0.100(3) Uij ? ?
C27 0.4311(7) 0.1715(5) -0.1015(4) 0.056(2) Uij ? ?
C28 0.5447(7) 0.1504(6) -0.0391(5) 0.085(3) Uij ? ?
C29 0.397(2) 0.190(1) 0.2314(10) 0.149(4) Uij ? ?
H1 0.3456 0.3980 -0.2466 0.1025 Uij ? ?
H2 0.3141 0.6415 -0.2124 0.2718 Uij ? ?
H3 0.1657 0.6786 -0.1932 0.2718 Uij ? ?
H4 0.2349 0.7078 -0.2735 0.2718 Uij ? ?
H5 0.4344 0.5140 -0.3614 0.2129 Uij ? ?
H6 0.3638 0.5857 -0.4213 0.2129 Uij ? ?
H7 0.3845 0.4619 -0.4638 0.2129 Uij ? ?
H8 0.2422 0.3395 -0.5364 0.1998 Uij ? ?
H9 0.0889 0.3491 -0.5700 0.1998 Uij ? ?
H10 0.1317 0.2586 -0.5202 0.1998 Uij ? ?
H11 -0.1198 0.2873 -0.4423 0.2830 Uij ? ?
H12 -0.1960 0.3862 -0.3866 0.2830 Uij ? ?
H13 -0.1581 0.3846 -0.4849 0.2830 Uij ? ?
H14 -0.1558 0.5093 -0.2621 0.3270 Uij ? ?
H15 -0.0393 0.5509 -0.1837 0.3270 Uij ? ?
H16 -0.0898 0.6258 -0.2469 0.3270 Uij ? ?
H17 -0.0875 0.2478 -0.0343 0.0932 Uij ? ?
H18 0.0568 0.2120 -0.0027 0.0932 Uij ? ?
H19 -0.0699 0.1324 -0.0159 0.0932 Uij ? ?
H20 -0.1440 0.3252 -0.1702 0.0860 Uij ? ?
H21 -0.2558 0.2332 -0.1812 0.0860 Uij ? ?
H22 -0.2093 0.2648 -0.2675 0.0860 Uij ? ?
H23 -0.1486 0.1512 -0.3941 0.0902 Uij ? ?
H24 -0.0146 0.0977 -0.4302 0.0902 Uij ? ?
H25 -0.1360 0.0246 -0.4163 0.0902 Uij ? ?
H26 0.1738 -0.0450 -0.3772 0.1014 Uij ? ?
H27 0.0523 -0.1191 -0.3652 0.1014 Uij ? ?
H28 0.1857 -0.1054 -0.2988 0.1014 Uij ? ?
H29 0.2568 -0.0139 -0.1313 0.0961 Uij ? ?
H30 0.1274 -0.0868 -0.1319 0.0961 Uij ? ?
H31 0.1591 0.0189 -0.0535 0.0961 Uij ? ?
H32 0.3718 0.3944 -0.0775 0.0792 Uij ? ?
H33 0.3897 0.5777 0.0039 0.1221 Uij ? ?
H34 0.2335 0.5898 -0.0201 0.1221 Uij ? ?
H35 0.3331 0.5692 -0.0973 0.1221 Uij ? ?
H36 0.1774 0.4355 0.0524 0.1245 Uij ? ?
H37 0.3331 0.4225 0.0772 0.1245 Uij ? ?
H38 0.2440 0.3227 0.0188 0.1245 Uij ? ?
H39 0.4788 0.2176 -0.2850 0.0772 Uij ? ?
H40 0.4857 0.3039 -0.4048 0.1185 Uij ? ?
H41 0.5982 0.2163 -0.4128 0.1185 Uij ? ?
H42 0.4613 0.1912 -0.4758 0.1185 Uij ? ?
H43 0.4167 0.0325 -0.3160 0.1212 Uij ? ?
H44 0.5547 0.0457 -0.3569 0.1212 Uij ? ?
H45 0.4183 0.0228 -0.4207 0.1212 Uij ? ?
H46 0.5556 0.2099 0.0143 0.1020 Uij ? ?
H47 0.5253 0.0846 -0.0218 0.1020 Uij ? ?
H48 0.6272 0.1431 -0.0692 0.1025 Uij ? ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 58 0.003 0.002 'International Tables'
H 0 96 0.000 0.000 'International Tables'
Ru 0 4 -1.259 0.836 'International Tables'
S 0 6 0.125 0.123 'International Tables'
F 0 6 0.017 0.010 'International Tables'
N 0 2 0.006 0.003 'International Tables'
O 0 6 0.011 0.006 'International Tables'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 0 -2
2 -1 -2
2 1 -2
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ru2 Ru1 S1 53.51(4) ? ? ? yes
Ru2 Ru1 S2 53.33(4) ? ? ? yes
Ru2 Ru1 C1 157.2(3) ? ? ? yes
Ru2 Ru1 C2 164.5(3) ? ? ? yes
Ru2 Ru1 C3 131.7(2) ? ? ? yes
Ru2 Ru1 C4 116.8(2) ? ? ? yes
Ru2 Ru1 C5 126.7(3) ? ? ? yes
S1 Ru1 S2 105.11(5) ? ? ? yes
S1 Ru1 C1 105.9(3) ? ? ? yes
S1 Ru1 C2 141.9(3) ? ? ? yes
S1 Ru1 C3 150.8(2) ? ? ? yes
S1 Ru1 C4 116.7(3) ? ? ? yes
S1 Ru1 C5 94.5(2) ? ? ? yes
S2 Ru1 C1 148.8(3) ? ? ? yes
S2 Ru1 C2 112.1(3) ? ? ? yes
S2 Ru1 C3 92.9(2) ? ? ? yes
S2 Ru1 C4 107.6(3) ? ? ? yes
S2 Ru1 C5 142.5(4) ? ? ? yes
C1 Ru1 C2 36.8(3) ? ? ? yes
C1 Ru1 C3 60.5(3) ? ? ? yes
C1 Ru1 C4 60.3(3) ? ? ? yes
C1 Ru1 C5 36.9(3) ? ? ? yes
C2 Ru1 C3 36.2(3) ? ? ? yes
C2 Ru1 C4 59.4(3) ? ? ? yes
C2 Ru1 C5 60.3(3) ? ? ? yes
C3 Ru1 C4 34.4(3) ? ? ? yes
C3 Ru1 C5 58.7(3) ? ? ? yes
C4 Ru1 C5 35.2(3) ? ? ? yes
Ru1 Ru2 S1 51.33(4) ? ? ? yes
Ru1 Ru2 S2 51.34(4) ? ? ? yes
Ru1 Ru2 N1 102.7(1) ? ? ? yes
Ru1 Ru2 C11 137.0(2) ? ? ? yes
Ru1 Ru2 C12 107.8(2) ? ? ? yes
Ru1 Ru2 C13 108.1(1) ? ? ? yes
Ru1 Ru2 C14 136.7(2) ? ? ? yes
Ru1 Ru2 C15 169.4(2) ? ? ? yes
S1 Ru2 S2 101.06(5) ? ? ? yes
S1 Ru2 N1 90.6(1) ? ? ? yes
S1 Ru2 C11 96.3(2) ? ? ? yes
S1 Ru2 C12 92.6(2) ? ? ? yes
S1 Ru2 C13 123.1(2) ? ? ? yes
S1 Ru2 C14 155.1(2) ? ? ? yes
S1 Ru2 C15 129.5(2) ? ? ? yes
S2 Ru2 N1 92.1(1) ? ? ? yes
S2 Ru2 C11 155.3(2) ? ? ? yes
S2 Ru2 C12 123.0(2) ? ? ? yes
S2 Ru2 C13 92.9(2) ? ? ? yes
S2 Ru2 C14 96.2(2) ? ? ? yes
S2 Ru2 C15 129.5(2) ? ? ? yes
N1 Ru2 C11 105.2(2) ? ? ? yes
N1 Ru2 C12 143.2(2) ? ? ? yes
N1 Ru2 C13 144.1(2) ? ? ? yes
N1 Ru2 C14 106.8(2) ? ? ? yes
N1 Ru2 C15 87.9(2) ? ? ? yes
C11 Ru2 C12 38.0(2) ? ? ? yes
C11 Ru2 C13 62.7(2) ? ? ? yes
C11 Ru2 C14 62.3(2) ? ? ? yes
C11 Ru2 C15 36.7(2) ? ? ? yes
C12 Ru2 C13 37.6(2) ? ? ? yes
C12 Ru2 C14 62.7(2) ? ? ? yes
C12 Ru2 C15 62.3(2) ? ? ? yes
C13 Ru2 C14 37.3(2) ? ? ? yes
C13 Ru2 C15 61.9(2) ? ? ? yes
C14 Ru2 C15 37.1(2) ? ? ? yes
Ru1 S1 Ru2 75.17(5) ? ? ? yes
Ru1 S1 C21 115.1(2) ? ? ? yes
Ru2 S1 C21 112.4(2) ? ? ? yes
Ru1 S2 Ru2 75.34(5) ? ? ? yes
Ru1 S2 C24 115.8(2) ? ? ? yes
Ru2 S2 C24 113.1(2) ? ? ? yes
O1 S3 O2 116.5(7) ? ? ? yes
O1 S3 O3 117.9(8) ? ? ? yes
O1 S3 C29 108.4(6) ? ? ? yes
O2 S3 O3 115.7(7) ? ? ? yes
O2 S3 C29 105.0(7) ? ? ? yes
O3 S3 C29 87.8(8) ? ? ? yes
Ru2 N1 C27 167.1(5) ? ? ? yes
Ru1 C1 C2 71.9(4) ? ? ? yes
Ru1 C1 C5 75.4(4) ? ? ? yes
Ru1 C1 C6 128.7(6) ? ? ? yes
C2 C1 C5 106.9(8) ? ? ? yes
C2 C1 C6 126(1) ? ? ? yes
C5 C1 C6 125(1) ? ? ? yes
Ru1 C2 C1 71.3(4) ? ? ? yes
Ru1 C2 C3 75.4(4) ? ? ? yes
Ru1 C2 C7 125.0(5) ? ? ? yes
C1 C2 C3 108.6(7) ? ? ? yes
C1 C2 C7 123(1) ? ? ? yes
C3 C2 C7 127.1(10) ? ? ? yes
Ru1 C3 C2 68.3(4) ? ? ? yes
Ru1 C3 C4 76.8(4) ? ? ? yes
Ru1 C3 C8 125.7(5) ? ? ? yes
C2 C3 C4 109.8(8) ? ? ? yes
C2 C3 C8 124.2(10) ? ? ? yes
C4 C3 C8 125(1) ? ? ? yes
Ru1 C4 C3 68.8(4) ? ? ? yes
Ru1 C4 C5 68.5(4) ? ? ? yes
Ru1 C4 C9 133.6(5) ? ? ? yes
C3 C4 C5 106.0(8) ? ? ? yes
C3 C4 C9 126(1) ? ? ? yes
C5 C4 C9 127(1) ? ? ? yes
Ru1 C5 C1 67.8(4) ? ? ? yes
Ru1 C5 C4 76.3(4) ? ? ? yes
Ru1 C5 C10 126.5(5) ? ? ? yes
C1 C5 C4 108.7(8) ? ? ? yes
C1 C5 C10 125(1) ? ? ? yes
C4 C5 C10 125(1) ? ? ? yes
Ru2 C11 C12 69.8(3) ? ? ? yes
Ru2 C11 C15 72.5(3) ? ? ? yes
Ru2 C11 C16 128.8(4) ? ? ? yes
C12 C11 C15 107.4(5) ? ? ? yes
C12 C11 C16 125.0(6) ? ? ? yes
C15 C11 C16 127.2(6) ? ? ? yes
Ru2 C12 C11 72.2(3) ? ? ? yes
Ru2 C12 C13 71.6(3) ? ? ? yes
Ru2 C12 C17 128.1(4) ? ? ? yes
C11 C12 C13 107.6(5) ? ? ? yes
C11 C12 C17 124.5(6) ? ? ? yes
C13 C12 C17 127.3(6) ? ? ? yes
Ru2 C13 C12 70.9(3) ? ? ? yes
Ru2 C13 C14 72.4(3) ? ? ? yes
Ru2 C13 C18 129.3(4) ? ? ? yes
C12 C13 C14 108.7(5) ? ? ? yes
C12 C13 C18 127.2(6) ? ? ? yes
C14 C13 C18 123.6(6) ? ? ? yes
Ru2 C14 C13 70.3(3) ? ? ? yes
Ru2 C14 C15 72.2(3) ? ? ? yes
Ru2 C14 C19 129.1(5) ? ? ? yes
C13 C14 C15 107.4(6) ? ? ? yes
C13 C14 C19 126.8(6) ? ? ? yes
C15 C14 C19 125.3(6) ? ? ? yes
Ru2 C15 C11 70.7(3) ? ? ? yes
Ru2 C15 C14 70.8(3) ? ? ? yes
Ru2 C15 C20 127.5(4) ? ? ? yes
C11 C15 C14 108.9(5) ? ? ? yes
C11 C15 C20 126.2(6) ? ? ? yes
C14 C15 C20 124.9(6) ? ? ? yes
S1 C21 C22 108.7(5) ? ? ? yes
S1 C21 C23 108.6(5) ? ? ? yes
C22 C21 C23 112.0(6) ? ? ? yes
S2 C24 C25 108.6(4) ? ? ? yes
S2 C24 C26 108.7(5) ? ? ? yes
C25 C24 C26 111.4(6) ? ? ? yes
N1 C27 C28 178.5(7) ? ? ? yes
S3 C29 F1 114(1) ? ? ? yes
S3 C29 F2 117(1) ? ? ? yes
S3 C29 F3 100.3(10) ? ? ? yes
F1 C29 F2 123(1) ? ? ? yes
F1 C29 F3 98(1) ? ? ? yes
F2 C29 F3 90(1) ? ? ? yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Ru2 2.8099(7) ? ? yes
Ru1 S1 2.269(2) ? ? yes
Ru1 S2 2.268(2) ? ? yes
Ru1 C1 2.173(7) ? ? yes
Ru1 C2 2.181(6) ? ? yes
Ru1 C3 2.271(6) ? ? yes
Ru1 C4 2.372(7) ? ? yes
Ru1 C5 2.272(7) ? ? yes
Ru2 S1 2.337(2) ? ? yes
Ru2 S2 2.330(2) ? ? yes
Ru2 N1 2.066(5) ? ? yes
Ru2 C11 2.224(5) ? ? yes
Ru2 C12 2.192(6) ? ? yes
Ru2 C13 2.201(6) ? ? yes
Ru2 C14 2.229(6) ? ? yes
Ru2 C15 2.248(5) ? ? yes
S1 C21 1.847(7) ? ? yes
S2 C24 1.840(6) ? ? yes
S3 O1 1.379(7) ? ? yes
S3 O2 1.504(8) ? ? yes
S3 O3 1.426(10) ? ? yes
S3 C29 1.61(1) ? ? yes
F1 C29 1.25(1) ? ? yes
F2 C29 1.27(1) ? ? yes
F3 C29 1.52(1) ? ? yes
N1 C27 1.128(7) ? ? yes
C1 C2 1.37(1) ? ? yes
C1 C5 1.41(1) ? ? yes
C1 C6 1.52(1) ? ? yes
C2 C3 1.39(1) ? ? yes
C2 C7 1.53(1) ? ? yes
C3 C4 1.38(1) ? ? yes
C3 C8 1.51(1) ? ? yes
C4 C5 1.41(1) ? ? yes
C4 C9 1.50(1) ? ? yes
C5 C10 1.49(1) ? ? yes
C11 C12 1.439(8) ? ? yes
C11 C15 1.410(8) ? ? yes
C11 C16 1.504(9) ? ? yes
C12 C13 1.415(8) ? ? yes
C12 C17 1.496(8) ? ? yes
C13 C14 1.418(8) ? ? yes
C13 C18 1.500(8) ? ? yes
C14 C15 1.423(8) ? ? yes
C14 C19 1.498(9) ? ? yes
C15 C20 1.499(8) ? ? yes
C21 C22 1.513(9) ? ? yes
C21 C23 1.519(9) ? ? yes
C24 C25 1.518(9) ? ? yes
C24 C26 1.511(9) ? ? yes
C27 C28 1.458(8) ? ? yes
