#------------------------------------------------------------------------------
#$Date: 2025-08-20 16:06:16 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301830 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/60/4076016.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_4076016
loop_
_publ_author_name
'Takai, Yasutomo'
'Kitaura, Ryo'
'Nakatani, Emi'
'Onishi, Takafumi'
'Kurosawa, Hideo'
_publ_section_title
;
 Conversion of Allylic Alcohols to Carbonyl Compounds Catalyzed by
 Alkoxy-Bridged Dinuclear Areneruthenium Complexes
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4729
_journal_paper_doi               10.1021/om050442p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C19 H25 B F4 O3 Ru2'
_chemical_formula_weight         590.35
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.026(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7662(8)
_cell_length_b                   13.470(1)
_cell_length_c                   15.950(2)
_cell_measurement_reflns_used    15783
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
_cell_volume                     2059.5(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 8.00
_diffrn_measured_fraction_theta_full 0.9651
_diffrn_measured_fraction_theta_max 0.9651
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17803
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.520
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.000
_refine_diff_density_max         2.31
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.853
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2730
_refine_ls_R_factor_gt           0.0794
_refine_ls_shift/su_max          1.5409
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00002|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0869
_reflns_number_gt                2730
_reflns_number_total             4564
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            om050442psi20050602_101946.cif
_cod_data_source_block           kuroken
_cod_original_formula_sum        'C19 H25 B F4 O3 Ru2 '
_cod_database_code               4076016
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+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_calc_flag
Ru(1) Ru 0.7392(1) 0.22420(9) 0.99242(8) 0.0542(3) Uani 1.00 d
Ru(2) Ru 0.4323(1) 0.19510(8) 0.97599(9) 0.0555(3) Uani 1.00 d
F(1) F 0.191(2) 0.419(1) 0.722(1) 0.197(8) Uani 1.00 d
F(2) F 0.169(3) 0.474(1) 0.836(1) 0.25(1) Uani 1.00 d
F(3) F 0.076(2) 0.547(2) 0.728(1) 0.29(1) Uani 1.00 d
F(4) F 0.004(2) 0.415(2) 0.765(2) 0.26(1) Uani 1.00 d
O(1) O 0.6070(9) 0.1789(7) 1.0731(6) 0.059(3) Uani 1.00 d
O(2) O 0.5878(9) 0.1330(7) 0.9261(5) 0.051(3) Uani 1.00 d
O(3) O 0.564(1) 0.3095(7) 0.9655(8) 0.078(4) Uani 1.00 d
C(1) C 0.551(2) 0.394(1) 0.915(1) 0.079(6) Uani 1.00 d
C(2) C 0.671(2) 0.464(1) 0.932(1) 0.102(7) Uani 1.00 d
C(3) C 0.814(2) 0.436(2) 0.919(1) 0.119(9) Uani 1.00 d
C(4) C 0.871(2) 0.337(1) 0.961(1) 0.076(6) Uani 1.00 d
C(5) C 0.884(2) 0.257(2) 0.910(1) 0.078(6) Uani 1.00 d
C(6) C 0.914(2) 0.162(1) 0.950(1) 0.081(6) Uani 1.00 d
C(7) C 0.937(2) 0.153(1) 1.038(2) 0.090(7) Uani 1.00 d
C(8) C 0.928(2) 0.238(2) 1.086(1) 0.094(7) Uani 1.00 d
C(9) C 0.898(2) 0.326(1) 1.051(1) 0.082(6) Uani 1.00 d
C(10) C 0.568(2) 0.114(1) 0.842(1) 0.077(6) Uani 1.00 d
C(11) C 0.447(3) 0.045(2) 0.811(1) 0.108(8) Uani 1.00 d
C(12) C 0.296(2) 0.087(2) 0.805(1) 0.113(8) Uani 1.00 d
C(13) C 0.271(2) 0.132(1) 0.882(1) 0.072(6) Uani 1.00 d
C(14) C 0.287(2) 0.076(1) 0.959(2) 0.096(7) Uani 1.00 d
C(15) C 0.284(2) 0.118(2) 1.036(2) 0.097(8) Uani 1.00 d
C(16) C 0.261(2) 0.218(2) 1.041(2) 0.102(8) Uani 1.00 d
C(17) C 0.240(2) 0.273(1) 0.960(2) 0.084(6) Uani 1.00 d
C(18) C 0.246(1) 0.232(1) 0.884(1) 0.072(5) Uani 1.00 d
C(19) C 0.615(2) 0.226(1) 1.153(1) 0.085(6) Uani 1.00 d
B(1) B 0.124(4) 0.469(3) 0.763(2) 0.14(1) Uani 1.00 d
H(1) H 0.5471 0.1763 0.8098 0.0987 Uiso 1.00 calc
H(2) H 0.6506 0.0880 0.8272 0.0987 Uiso 1.00 calc
H(3) H 0.5435 0.3704 0.8567 0.1028 Uiso 1.00 calc
H(4) H 0.4684 0.4251 0.9207 0.1028 Uiso 1.00 calc
H(5) H 0.4555 0.0155 0.7572 0.1422 Uiso 1.00 calc
H(6) H 0.4540 -0.0099 0.8519 0.1422 Uiso 1.00 calc
H(7) H 0.2802 0.1378 0.7581 0.1336 Uiso 1.00 calc
H(8) H 0.2254 0.0366 0.7843 0.1336 Uiso 1.00 calc
H(9) H 0.8772 0.4843 0.9416 0.1433 Uiso 1.00 calc
H(10) H 0.8076 0.4269 0.8602 0.1433 Uiso 1.00 calc
H(11) H 0.6465 0.5212 0.9019 0.1384 Uiso 1.00 calc
H(12) H 0.6826 0.4791 0.9940 0.1384 Uiso 1.00 calc
H(13) H 0.7047 0.2182 1.1854 0.1007 Uiso 1.00 calc
H(14) H 0.5960 0.2960 1.1430 0.1007 Uiso 1.00 calc
H(15) H 0.5468 0.1990 1.1805 0.1007 Uiso 1.00 calc
H(16) H 0.9592 0.0905 1.0655 0.1080 Uiso 1.00 calc
H(17) H 0.2286 0.2721 0.8365 0.0866 Uiso 1.00 calc
H(18) H 0.9467 0.2308 1.1473 0.1038 Uiso 1.00 calc
H(19) H 0.2994 0.0065 0.9585 0.1016 Uiso 1.00 calc
H(20) H 0.9131 0.1031 0.9147 0.1076 Uiso 1.00 calc
H(21) H 0.8914 0.3815 1.0851 0.1055 Uiso 1.00 calc
H(22) H 0.8757 0.2600 0.8494 0.1028 Uiso 1.00 calc
H(23) H 0.2980 0.0829 1.0905 0.1135 Uiso 1.00 calc
H(24) H 0.2599 0.2557 1.0946 0.1285 Uiso 1.00 calc
H(25) H 0.2235 0.3473 0.9615 0.1034 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_3
_geom_angle_publ_flag
Ru(2) Ru(1) O(1) 44.3(3) 0_555 yes
Ru(2) Ru(1) O(2) 42.6(2) 0_555 yes
Ru(2) Ru(1) O(3) 42.9(3) 0_555 yes
Ru(2) Ru(1) C(4) 136.2(5) 0_555 yes
Ru(2) Ru(1) C(5) 137.8(5) 0_555 yes
Ru(2) Ru(1) C(6) 140.7(5) 0_555 yes
Ru(2) Ru(1) C(7) 142.4(4) 0_555 yes
Ru(2) Ru(1) C(8) 141.8(5) 0_555 yes
Ru(2) Ru(1) C(9) 138.7(4) 0_555 yes
O(1) Ru(1) O(2) 70.9(3) 0_555 yes
O(1) Ru(1) O(3) 72.6(4) 0_555 yes
O(1) Ru(1) C(4) 146.7(6) 0_555 yes
O(1) Ru(1) C(5) 174.6(7) 0_555 yes
O(1) Ru(1) C(6) 135.4(7) 0_555 yes
O(1) Ru(1) C(7) 106.4(6) 0_555 yes
O(1) Ru(1) C(8) 98.3(6) 0_555 yes
O(1) Ru(1) C(9) 113.7(6) 0_555 yes
O(2) Ru(1) O(3) 74.7(4) 0_555 yes
O(2) Ru(1) C(4) 136.0(6) 0_555 yes
O(2) Ru(1) C(5) 107.7(5) 0_555 yes
O(2) Ru(1) C(6) 98.1(5) 0_555 yes
O(2) Ru(1) C(7) 114.8(6) 0_555 yes
O(2) Ru(1) C(8) 147.9(7) 0_555 yes
O(2) Ru(1) C(9) 174.7(7) 0_555 yes
O(3) Ru(1) C(4) 94.0(6) 0_555 yes
O(3) Ru(1) C(5) 112.2(6) 0_555 yes
O(3) Ru(1) C(6) 148.0(7) 0_555 yes
O(3) Ru(1) C(7) 169.8(7) 0_555 yes
O(3) Ru(1) C(8) 132.2(7) 0_555 yes
O(3) Ru(1) C(9) 103.6(6) 0_555 yes
C(4) Ru(1) C(5) 37.3(7) 0_555 yes
C(4) Ru(1) C(6) 69.2(7) 0_555 yes
C(4) Ru(1) C(7) 81.4(6) 0_555 yes
C(4) Ru(1) C(8) 67.8(7) 0_555 yes
C(4) Ru(1) C(9) 38.7(7) 0_555 yes
C(5) Ru(1) C(6) 39.3(7) 0_555 yes
C(5) Ru(1) C(7) 69.3(7) 0_555 yes
C(5) Ru(1) C(8) 80.2(7) 0_555 yes
C(5) Ru(1) C(9) 68.1(6) 0_555 yes
C(6) Ru(1) C(7) 37.8(7) 0_555 yes
C(6) Ru(1) C(8) 67.9(7) 0_555 yes
C(6) Ru(1) C(9) 80.6(6) 0_555 yes
C(7) Ru(1) C(8) 37.6(7) 0_555 yes
C(7) Ru(1) C(9) 67.2(7) 0_555 yes
C(8) Ru(1) C(9) 36.1(7) 0_555 yes
Ru(1) Ru(2) O(1) 44.2(2) 0_555 yes
Ru(1) Ru(2) O(2) 43.4(2) 0_555 yes
Ru(1) Ru(2) O(3) 42.9(3) 0_555 yes
Ru(1) Ru(2) C(13) 135.0(4) 0_555 yes
Ru(1) Ru(2) C(14) 138.2(5) 0_555 yes
Ru(1) Ru(2) C(15) 140.7(5) 0_555 yes
Ru(1) Ru(2) C(16) 143.0(6) 0_555 yes
Ru(1) Ru(2) C(17) 142.6(4) 0_555 yes
Ru(1) Ru(2) C(18) 136.9(4) 0_555 yes
O(1) Ru(2) O(2) 71.3(4) 0_555 yes
O(1) Ru(2) O(3) 72.5(4) 0_555 yes
O(1) Ru(2) C(13) 150.5(6) 0_555 yes
O(1) Ru(2) C(14) 116.6(7) 0_555 yes
O(1) Ru(2) C(15) 98.2(6) 0_555 yes
O(1) Ru(2) C(16) 105.0(7) 0_555 yes
O(1) Ru(2) C(17) 135.9(7) 0_555 yes
O(1) Ru(2) C(18) 171.7(6) 0_555 yes
O(2) Ru(2) O(3) 75.3(4) 0_555 yes
O(2) Ru(2) C(13) 93.8(5) 0_555 yes
O(2) Ru(2) C(14) 99.8(6) 0_555 yes
O(2) Ru(2) C(15) 126.4(7) 0_555 yes
O(2) Ru(2) C(16) 163.6(7) 0_555 yes
O(2) Ru(2) C(17) 150.5(7) 0_555 yes
O(2) Ru(2) C(18) 115.2(5) 0_555 yes
O(3) Ru(2) C(13) 129.6(6) 0_555 yes
O(3) Ru(2) C(14) 168.2(8) 0_555 yes
O(3) Ru(2) C(15) 153.3(8) 0_555 yes
O(3) Ru(2) C(16) 119.5(6) 0_555 yes
O(3) Ru(2) C(17) 100.0(5) 0_555 yes
O(3) Ru(2) C(18) 103.6(5) 0_555 yes
C(13) Ru(2) C(14) 39.2(7) 0_555 yes
C(13) Ru(2) C(15) 69.6(7) 0_555 yes
C(13) Ru(2) C(16) 81.9(7) 0_555 yes
C(13) Ru(2) C(17) 66.4(7) 0_555 yes
C(13) Ru(2) C(18) 37.2(6) 0_555 yes
C(14) Ru(2) C(15) 36.9(7) 0_555 yes
C(14) Ru(2) C(16) 66.9(7) 0_555 yes
C(14) Ru(2) C(17) 78.8(6) 0_555 yes
C(14) Ru(2) C(18) 68.4(7) 0_555 yes
C(15) Ru(2) C(16) 37.4(7) 0_555 yes
C(15) Ru(2) C(17) 68.8(6) 0_555 yes
C(15) Ru(2) C(18) 82.0(6) 0_555 yes
C(16) Ru(2) C(17) 40.0(8) 0_555 yes
C(16) Ru(2) C(18) 70.2(7) 0_555 yes
C(17) Ru(2) C(18) 36.6(6) 0_555 yes
Ru(1) O(1) Ru(2) 91.5(4) 0_555 yes
Ru(1) O(1) C(19) 119.7(9) 0_555 yes
Ru(2) O(1) C(19) 121.1(9) 0_555 yes
Ru(1) O(2) Ru(2) 94.0(4) 0_555 yes
Ru(1) O(2) C(10) 125.5(8) 0_555 yes
Ru(2) O(2) C(10) 119.9(9) 0_555 yes
Ru(1) O(3) Ru(2) 94.2(4) 0_555 yes
Ru(1) O(3) C(1) 124.6(9) 0_555 yes
Ru(2) O(3) C(1) 132.9(10) 0_555 yes
O(3) C(1) C(2) 115(1) 0_555 yes
C(1) C(2) C(3) 123(1) 0_555 yes
C(2) C(3) C(4) 115(1) 0_555 yes
Ru(1) C(4) C(3) 122(1) 0_555 yes
Ru(1) C(4) C(5) 72.7(8) 0_555 yes
Ru(1) C(4) C(9) 71.9(9) 0_555 yes
C(3) C(4) C(5) 119(1) 0_555 yes
C(3) C(4) C(9) 120(1) 0_555 yes
C(5) C(4) C(9) 120(1) 0_555 yes
Ru(1) C(5) C(4) 70.0(9) 0_555 yes
Ru(1) C(5) C(6) 69.6(8) 0_555 yes
C(4) C(5) C(6) 118(1) 0_555 yes
Ru(1) C(6) C(5) 71.1(9) 0_555 yes
Ru(1) C(6) C(7) 72.1(9) 0_555 yes
C(5) C(6) C(7) 119(1) 0_555 yes
Ru(1) C(7) C(6) 70(1) 0_555 yes
Ru(1) C(7) C(8) 71.0(10) 0_555 yes
C(6) C(7) C(8) 118(1) 0_555 yes
Ru(1) C(8) C(7) 71(1) 0_555 yes
Ru(1) C(8) C(9) 71(1) 0_555 yes
C(7) C(8) C(9) 122(2) 0_555 yes
Ru(1) C(9) C(4) 69.4(9) 0_555 yes
Ru(1) C(9) C(8) 72(1) 0_555 yes
C(4) C(9) C(8) 120(1) 0_555 yes
O(2) C(10) C(11) 113(1) 0_555 yes
C(10) C(11) C(12) 118(1) 0_555 yes
C(11) C(12) C(13) 114(1) 0_555 yes
Ru(2) C(13) C(12) 123(1) 0_555 yes
Ru(2) C(13) C(14) 69.9(10) 0_555 yes
Ru(2) C(13) C(18) 72(1) 0_555 yes
C(12) C(13) C(14) 120(1) 0_555 yes
C(12) C(13) C(18) 120(1) 0_555 yes
C(14) C(13) C(18) 118(1) 0_555 yes
Ru(2) C(14) C(13) 70.9(9) 0_555 yes
Ru(2) C(14) C(15) 72(1) 0_555 yes
C(13) C(14) C(15) 123(1) 0_555 yes
Ru(2) C(15) C(14) 70.3(10) 0_555 yes
Ru(2) C(15) C(16) 71(1) 0_555 yes
C(14) C(15) C(16) 119(2) 0_555 yes
Ru(2) C(16) C(15) 71.2(10) 0_555 yes
Ru(2) C(16) C(17) 68.8(9) 0_555 yes
C(15) C(16) C(17) 116(1) 0_555 yes
Ru(2) C(17) C(16) 71.1(9) 0_555 yes
Ru(2) C(17) C(18) 73.0(10) 0_555 yes
C(16) C(17) C(18) 123(1) 0_555 yes
Ru(2) C(18) C(13) 70(1) 0_555 yes
Ru(2) C(18) C(17) 70(1) 0_555 yes
C(13) C(18) C(17) 118(1) 0_555 yes
F(1) B(1) F(2) 114(3) 0_555 yes
F(1) B(1) F(3) 115(2) 0_555 yes
F(1) B(1) F(4) 105(3) 0_555 yes
F(2) B(1) F(3) 116(3) 0_555 yes
F(2) B(1) F(4) 99(2) 0_555 yes
F(3) B(1) F(4) 102(3) 0_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ru(1) Ru(2) 2.984(1) yes
Ru(1) O(1) 2.080(8) yes
Ru(1) O(2) 2.054(9) yes
Ru(1) O(3) 2.04(1) yes
Ru(1) C(4) 2.11(1) yes
Ru(1) C(5) 2.15(1) yes
Ru(1) C(6) 2.13(1) yes
Ru(1) C(7) 2.15(2) yes
Ru(1) C(8) 2.15(2) yes
Ru(1) C(9) 2.15(2) yes
Ru(2) O(1) 2.085(10) yes
Ru(2) O(2) 2.025(8) yes
Ru(2) O(3) 2.036(9) yes
Ru(2) C(13) 2.14(2) yes
Ru(2) C(14) 2.12(1) yes
Ru(2) C(15) 2.15(2) yes
Ru(2) C(16) 2.16(1) yes
Ru(2) C(17) 2.13(2) yes
Ru(2) C(18) 2.16(2) yes
F(1) B(1) 1.21(3) yes
F(2) B(1) 1.18(3) yes
F(3) B(1) 1.24(4) yes
F(4) B(1) 1.38(4) yes
O(1) C(19) 1.42(2) yes
O(2) C(10) 1.35(2) yes
O(3) C(1) 1.39(2) yes
C(1) C(2) 1.49(2) yes
C(2) C(3) 1.49(3) yes
C(3) C(4) 1.55(3) yes
C(4) C(5) 1.36(2) yes
C(4) C(9) 1.41(2) yes
C(5) C(6) 1.44(3) yes
C(6) C(7) 1.39(2) yes
C(7) C(8) 1.39(3) yes
C(8) C(9) 1.33(3) yes
C(10) C(11) 1.51(2) yes
C(11) C(12) 1.57(3) yes
C(12) C(13) 1.43(2) yes
C(13) C(14) 1.43(2) yes
C(13) C(18) 1.37(2) yes
C(14) C(15) 1.35(3) yes
C(15) C(16) 1.38(3) yes
C(16) C(17) 1.47(3) yes
C(17) C(18) 1.35(2) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Ru(1) Ru(2) 2.984(1) .
F(1) C(15) 3.31(3) 4_554
F(1) C(18) 3.58(3) .
F(1) C(7) 3.59(3) 4_454
F(2) C(17) 3.34(3) .
F(2) C(9) 3.37(2) 3_667
F(2) C(18) 3.40(3) .
F(3) C(6) 3.24(2) 2_656
F(4) C(3) 3.37(3) 1_455
F(4) C(8) 3.48(3) 4_454
F(4) C(5) 3.52(3) 1_455
O(2) C(14) 3.45(2) 3_657
C(5) C(17) 3.42(2) 1_655
C(6) C(17) 3.50(2) 1_655
C(6) C(16) 3.50(3) 1_655
C(7) C(16) 3.27(2) 1_655
C(7) C(15) 3.43(2) 1_655
C(8) C(16) 3.47(2) 1_655
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
Ru(1) Ru(2) O(1) C(19) 126(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) O(2) C(10) -135(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) O(3) C(1) 147(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(13) C(12) 2(2) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(13) C(14) 116.2(9) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(13) C(18) -113.0(9) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(14) C(13) -107(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(14) C(15) 116(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(15) C(14) -109(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(15) C(16) 118(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(16) C(15) -112(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(16) C(17) 118(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(17) C(16) -119.2(10) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(17) C(18) 104(1) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(18) C(13) 107.7(10) 0_555 2_1 5_555 55_5 yes
Ru(1) Ru(2) C(18) C(17) -120.8(9) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) O(2) 41.1(3) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) O(3) -38.9(4) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) C(13) 104(1) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) C(14) 133.0(7) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) C(15) 166.8(7) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) C(16) -155.7(7) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) C(17) -125.2(7) 0_555 2_1 5_555 55_5 yes
Ru(1) O(1) Ru(2) C(18) -102(3) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) O(1) -41.8(3) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) O(3) 34.3(4) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) C(13) 164.3(6) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) C(14) -156.7(7) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) C(15) -128.4(8) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) C(16) -121(2) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) C(17) 118.6(10) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) Ru(2) C(18) 132.6(5) 0_555 2_1 5_555 55_5 yes
Ru(1) O(2) C(10) C(11) -179(1) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) O(1) 40.0(4) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) O(2) -34.6(4) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) C(13) -117.3(6) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) C(14) -101(2) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) C(15) 112(1) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) C(16) 137.7(8) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) C(17) 175.2(7) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) Ru(2) C(18) -147.6(6) 0_555 2_1 5_555 55_5 yes
Ru(1) O(3) C(1) C(2) -44(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(4) C(3) C(2) 21(2) 0_555 2_1 5_555 55_5 yes
Ru(1) C(4) C(5) C(6) -51(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(4) C(9) C(8) 53(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(5) C(4) C(3) -118(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(5) C(4) C(9) 56(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(5) C(6) C(7) -55(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(6) C(5) C(4) 51(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(6) C(7) C(8) -53(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(7) C(6) C(5) 54(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(7) C(8) C(9) -53(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(8) C(7) C(6) 53(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(8) C(9) C(4) -51(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(9) C(4) C(3) 117(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(9) C(4) C(5) -56(1) 0_555 2_1 5_555 55_5 yes
Ru(1) C(9) C(8) C(7) 52(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) O(1) C(19) -127(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) O(2) C(10) 131(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) O(3) C(1) -151(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(4) C(3) 1(2) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(4) C(5) -113(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(4) C(9) 115.8(9) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(5) C(4) 108(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(5) C(6) -118.1(10) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(6) C(5) 110(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(6) C(7) -117(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(7) C(6) 113(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(7) C(8) -115(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(8) C(7) 116(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(8) C(9) -108(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(9) C(4) -109(1) 0_555 2_1 5_555 55_5 yes
Ru(2) Ru(1) C(9) C(8) 117(1) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) O(2) -40.5(3) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) O(3) 38.9(4) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) C(4) 108(1) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) C(5) -115(5) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) C(6) -122.6(8) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) C(7) -151.7(7) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) C(8) 170.6(6) 0_555 2_1 5_555 55_5 yes
Ru(2) O(1) Ru(1) C(9) 136.5(6) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) O(1) 42.1(3) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) O(3) -34.4(4) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) C(4) -114.1(8) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) C(5) -143.3(7) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) C(6) 177.5(7) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) C(7) 141.8(7) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) C(8) 116(1) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) Ru(1) C(9) -107(5) 0_555 2_1 5_555 55_5 yes
Ru(2) O(2) C(10) C(11) -58(1) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) O(1) -40.1(4) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) O(2) 34.2(4) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) C(4) 171.0(7) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) C(5) 137.4(6) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) C(6) 114.9(10) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) C(7) -126(3) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) C(8) -125.6(8) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) Ru(1) C(9) -151.0(7) 0_555 2_1 5_555 55_5 yes
Ru(2) O(3) C(1) C(2) 175(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(13) C(12) C(11) 25(2) 0_555 2_1 5_555 55_5 yes
Ru(2) C(13) C(14) C(15) 52(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(13) C(18) C(17) -53(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(14) C(13) C(12) 117(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(14) C(13) C(18) -55(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(14) C(15) C(16) 53(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(15) C(14) C(13) -52(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(15) C(16) C(17) 53(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(16) C(15) C(14) -53(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(16) C(17) C(18) 53(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(17) C(16) C(15) -54(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(17) C(18) C(13) 53(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(18) C(13) C(12) -118(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(18) C(13) C(14) 54(1) 0_555 2_1 5_555 55_5 yes
Ru(2) C(18) C(17) C(16) -52(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) O(2) -114.9(5) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) O(3) 118.3(6) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) C(13) -137.4(8) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) C(14) -79(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) C(15) -20(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) C(16) 41(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) C(17) 110(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) Ru(2) C(18) 168.0(9) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) O(2) C(10) 173(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) O(3) C(1) 168(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(4) C(3) -71(2) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(4) C(5) 173.8(10) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(4) C(9) 42(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(5) C(4) -140(5) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(5) C(6) -7(5) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(6) C(5) 179.0(8) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(6) C(7) -49(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(7) C(6) 146(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(7) C(8) -82(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(8) C(7) 106(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(8) C(9) -119(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(9) C(4) -155.9(10) 0_555 2_1 5_555 55_5 yes
O(1) Ru(1) C(9) C(8) 70(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) O(2) 114.9(5) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) O(3) -118.3(6) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) C(4) -131.4(9) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) C(5) 172.8(10) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) C(6) 110(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) C(7) 48(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) C(8) -15(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) Ru(1) C(9) -72(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) O(2) C(10) -177(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) O(3) C(1) -172(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(13) C(12) -70(2) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(13) C(14) 43(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(13) C(18) 174.0(9) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(14) C(13) -157.8(8) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(14) C(15) 66(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(15) C(14) -124(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(15) C(16) 103(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(16) C(15) -83(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(16) C(17) 146(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(17) C(16) -49(1) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(17) C(18) 174.5(9) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(18) C(13) -158(2) 0_555 2_1 5_555 55_5 yes
O(1) Ru(2) C(18) C(17) -27(3) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) O(3) -126.8(6) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) C(13) -22.5(8) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) C(14) 35(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) C(15) 93(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) C(16) 156(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) C(17) -134(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) Ru(2) C(18) -77.0(8) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) O(1) C(19) -168(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) O(3) C(1) -117(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(4) C(3) 64(2) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(4) C(5) -50(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(4) C(9) 179.0(8) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(5) C(4) 145(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(5) C(6) -81(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(6) C(5) 108.0(10) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(6) C(7) -120(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(7) C(6) 70(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(7) C(8) -158(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(8) C(7) 39(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(8) C(9) 173.7(9) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(9) C(4) -7(5) 0_555 2_1 5_555 55_5 yes
O(2) Ru(1) C(9) C(8) -141(4) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) O(3) 126.8(6) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) C(4) 113.7(10) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) C(5) 57.9(10) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) C(6) -3(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) C(7) -66(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) C(8) -129(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) Ru(1) C(9) 172(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) O(1) C(19) 167(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) O(3) C(1) 113(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(13) C(12) -13(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(13) C(14) 100.9(10) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(13) C(18) -128.3(10) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(14) C(13) -83.9(10) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(14) C(15) 140(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(15) C(14) -51(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(15) C(16) 176(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(16) C(15) -9(3) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(16) C(17) -138(2) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(17) C(16) 157(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(17) C(18) 21(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(18) C(13) 59(1) 0_555 2_1 5_555 55_5 yes
O(2) Ru(2) C(18) C(17) -168.5(9) 0_555 2_1 5_555 55_5 yes
O(2) C(10) C(11) C(12) 72(2) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) Ru(2) C(13) 104.3(9) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) Ru(2) C(14) 162(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) Ru(2) C(15) -139(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) Ru(2) C(16) -76(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) Ru(2) C(17) -7(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) Ru(2) C(18) 49.7(9) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) O(1) C(19) -88(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) O(2) C(10) 97(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(4) C(3) -7(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(4) C(5) -122(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(4) C(9) 106(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(5) C(4) 65(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(5) C(6) -161.4(10) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(6) C(5) 33(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(6) C(7) 165.4(10) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(7) C(6) -130(3) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(7) C(8) 0(3) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(8) C(7) -179.8(9) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(8) C(9) -45(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(9) C(4) -79(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(1) C(9) C(8) 147(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) Ru(1) C(4) -13.1(10) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) Ru(1) C(5) -68(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) Ru(1) C(6) -130(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) Ru(1) C(7) 166(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) Ru(1) C(8) 103(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) Ru(1) C(9) 45(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) O(1) C(19) 87(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) O(2) C(10) -101(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(13) C(12) 61(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(13) C(14) 175.0(9) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(13) C(18) -54(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(14) C(13) -19(3) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(14) C(15) -154(2) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(15) C(14) 168(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(15) C(16) 36(2) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(16) C(15) -161(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(16) C(17) 68(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(17) C(16) -124(1) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(17) C(18) 99.4(10) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(18) C(13) 140.0(10) 0_555 2_1 5_555 55_5 yes
O(3) Ru(2) C(18) C(17) -88.5(10) 0_555 2_1 5_555 55_5 yes
O(3) C(1) C(2) C(3) 62(2) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(1) C(4) 19(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(1) C(5) -14(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(1) C(6) -36(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(1) C(7) 82(3) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(1) C(8) 82(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(1) C(9) 57(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(2) C(13) 30(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(2) C(14) 45(3) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(2) C(15) -99(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(2) C(16) -74(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(2) C(17) -37(1) 0_555 2_1 5_555 55_5 yes
C(1) O(3) Ru(2) C(18) 0(1) 0_555 2_1 5_555 55_5 yes
C(1) C(2) C(3) C(4) -49(2) 0_555 2_1 5_555 55_5 yes
C(2) C(3) C(4) C(5) 109(2) 0_555 2_1 5_555 55_5 yes
C(2) C(3) C(4) C(9) -65(2) 0_555 2_1 5_555 55_5 yes
C(3) C(4) Ru(1) C(5) 114(2) 0_555 2_1 5_555 55_5 yes
C(3) C(4) Ru(1) C(6) 144(2) 0_555 2_1 5_555 55_5 yes
C(3) C(4) Ru(1) C(7) -178(1) 0_555 2_1 5_555 55_5 yes
C(3) C(4) Ru(1) C(8) -142(2) 0_555 2_1 5_555 55_5 yes
C(3) C(4) Ru(1) C(9) -114(2) 0_555 2_1 5_555 55_5 yes
C(3) C(4) C(5) C(6) -169(1) 0_555 2_1 5_555 55_5 yes
C(3) C(4) C(9) C(8) 170(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) Ru(2) C(13) 91(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) Ru(2) C(14) 149(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) Ru(2) C(15) -152(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) Ru(2) C(16) -89(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) Ru(2) C(17) -20(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) Ru(2) C(18) 36(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) O(1) C(19) -18(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) O(2) C(10) 17(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(5) C(6) 132(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(6) C(5) -28(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(6) C(7) 103(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(7) C(6) -67(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(7) C(8) 64(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(8) C(7) -105(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(8) C(9) 29(1) 0_555 2_1 5_555 55_5 yes
C(4) Ru(1) C(9) C(8) -133(1) 0_555 2_1 5_555 55_5 yes
C(4) C(5) Ru(1) C(6) -132(1) 0_555 2_1 5_555 55_5 yes
C(4) C(5) Ru(1) C(7) -103(1) 0_555 2_1 5_555 55_5 yes
C(4) C(5) Ru(1) C(8) -66(1) 0_555 2_1 5_555 55_5 yes
C(4) C(5) Ru(1) C(9) -30(1) 0_555 2_1 5_555 55_5 yes
C(4) C(5) C(6) C(7) -3(2) 0_555 2_1 5_555 55_5 yes
C(4) C(9) Ru(1) C(5) 29(1) 0_555 2_1 5_555 55_5 yes
C(4) C(9) Ru(1) C(6) 68(1) 0_555 2_1 5_555 55_5 yes
C(4) C(9) Ru(1) C(7) 105(1) 0_555 2_1 5_555 55_5 yes
C(4) C(9) Ru(1) C(8) 133(1) 0_555 2_1 5_555 55_5 yes
C(4) C(9) C(8) C(7) 1(2) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) Ru(2) C(13) 35(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) Ru(2) C(14) 93(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) Ru(2) C(15) 151(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) Ru(2) C(16) -145(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) Ru(2) C(17) -76(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) Ru(2) C(18) -19(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) O(1) C(19) 116(5) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) O(2) C(10) -11(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(4) C(9) -130(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(6) C(7) 131(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(7) C(6) -30(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(7) C(8) 101(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(8) C(7) -68(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(8) C(9) 65(1) 0_555 2_1 5_555 55_5 yes
C(5) Ru(1) C(9) C(8) -103(1) 0_555 2_1 5_555 55_5 yes
C(5) C(4) Ru(1) C(6) 29(1) 0_555 2_1 5_555 55_5 yes
C(5) C(4) Ru(1) C(7) 66(1) 0_555 2_1 5_555 55_5 yes
C(5) C(4) Ru(1) C(8) 103(1) 0_555 2_1 5_555 55_5 yes
C(5) C(4) Ru(1) C(9) 130(1) 0_555 2_1 5_555 55_5 yes
C(5) C(4) C(9) C(8) -3(2) 0_555 2_1 5_555 55_5 yes
C(5) C(6) Ru(1) C(7) -131(1) 0_555 2_1 5_555 55_5 yes
C(5) C(6) Ru(1) C(8) -101(1) 0_555 2_1 5_555 55_5 yes
C(5) C(6) Ru(1) C(9) -66(1) 0_555 2_1 5_555 55_5 yes
C(5) C(6) C(7) C(8) 1(2) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) Ru(2) C(13) -26(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) Ru(2) C(14) 31(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) Ru(2) C(15) 89(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) Ru(2) C(16) 152(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) Ru(2) C(17) -138(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) Ru(2) C(18) -81(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) O(1) C(19) 109(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) O(2) C(10) -50(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) C(4) C(9) -101(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) C(7) C(8) 131(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) C(8) C(7) -29(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) C(8) C(9) 104(1) 0_555 2_1 5_555 55_5 yes
C(6) Ru(1) C(9) C(8) -65(1) 0_555 2_1 5_555 55_5 yes
C(6) C(5) Ru(1) C(7) 29(1) 0_555 2_1 5_555 55_5 yes
C(6) C(5) Ru(1) C(8) 66(1) 0_555 2_1 5_555 55_5 yes
C(6) C(5) Ru(1) C(9) 102(1) 0_555 2_1 5_555 55_5 yes
C(6) C(5) C(4) C(9) 4(2) 0_555 2_1 5_555 55_5 yes
C(6) C(7) Ru(1) C(8) -131(1) 0_555 2_1 5_555 55_5 yes
C(6) C(7) Ru(1) C(9) -104(1) 0_555 2_1 5_555 55_5 yes
C(6) C(7) C(8) C(9) 0(2) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) Ru(2) C(13) -89(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) Ru(2) C(14) -30(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) Ru(2) C(15) 27(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) Ru(2) C(16) 89(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) Ru(2) C(17) 158(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) Ru(2) C(18) -143(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) O(1) C(19) 80(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) O(2) C(10) -86(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) C(4) C(9) -63(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) C(8) C(9) 134(1) 0_555 2_1 5_555 55_5 yes
C(7) Ru(1) C(9) C(8) -28(1) 0_555 2_1 5_555 55_5 yes
C(7) C(6) Ru(1) C(8) 29(1) 0_555 2_1 5_555 55_5 yes
C(7) C(6) Ru(1) C(9) 64(1) 0_555 2_1 5_555 55_5 yes
C(7) C(8) Ru(1) C(9) -134(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) Ru(2) C(13) -152(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) Ru(2) C(14) -94(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) Ru(2) C(15) -36(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) Ru(2) C(16) 26(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) Ru(2) C(17) 95(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) Ru(2) C(18) 152(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) O(1) C(19) 42(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) O(2) C(10) -111(1) 0_555 2_1 5_555 55_5 yes
C(8) Ru(1) C(4) C(9) -27(1) 0_555 2_1 5_555 55_5 yes
C(8) C(7) Ru(1) C(9) 27(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) Ru(2) C(13) 149(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) Ru(2) C(14) -151(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) Ru(2) C(15) -93(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) Ru(2) C(16) -31(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) Ru(2) C(17) 37(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) Ru(2) C(18) 95(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) O(1) C(19) 8(1) 0_555 2_1 5_555 55_5 yes
C(9) Ru(1) O(2) C(10) 24(5) 0_555 2_1 5_555 55_5 yes
C(10) O(2) Ru(2) C(13) 28(1) 0_555 2_1 5_555 55_5 yes
C(10) O(2) Ru(2) C(14) 67(1) 0_555 2_1 5_555 55_5 yes
C(10) O(2) Ru(2) C(15) 96(1) 0_555 2_1 5_555 55_5 yes
C(10) O(2) Ru(2) C(16) 102(2) 0_555 2_1 5_555 55_5 yes
C(10) O(2) Ru(2) C(17) -16(1) 0_555 2_1 5_555 55_5 yes
C(10) O(2) Ru(2) C(18) -2(1) 0_555 2_1 5_555 55_5 yes
C(10) C(11) C(12) C(13) -52(2) 0_555 2_1 5_555 55_5 yes
C(11) C(12) C(13) C(14) -59(2) 0_555 2_1 5_555 55_5 yes
C(11) C(12) C(13) C(18) 113(2) 0_555 2_1 5_555 55_5 yes
C(12) C(13) Ru(2) C(14) -113(2) 0_555 2_1 5_555 55_5 yes
C(12) C(13) Ru(2) C(15) -140(1) 0_555 2_1 5_555 55_5 yes
C(12) C(13) Ru(2) C(16) -177(1) 0_555 2_1 5_555 55_5 yes
C(12) C(13) Ru(2) C(17) 144(1) 0_555 2_1 5_555 55_5 yes
C(12) C(13) Ru(2) C(18) 115(2) 0_555 2_1 5_555 55_5 yes
C(12) C(13) C(14) C(15) 170(1) 0_555 2_1 5_555 55_5 yes
C(12) C(13) C(18) C(17) -172(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) O(1) C(19) -129(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(14) C(15) -135(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(15) C(14) 28(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(15) C(16) -103(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(16) C(15) 66(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(16) C(17) -62(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(17) C(16) 106(1) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(17) C(18) -29.5(10) 0_555 2_1 5_555 55_5 yes
C(13) Ru(2) C(18) C(17) 131(1) 0_555 2_1 5_555 55_5 yes
C(13) C(14) Ru(2) C(15) 135(1) 0_555 2_1 5_555 55_5 yes
C(13) C(14) Ru(2) C(16) 106(1) 0_555 2_1 5_555 55_5 yes
C(13) C(14) Ru(2) C(17) 66(1) 0_555 2_1 5_555 55_5 yes
C(13) C(14) Ru(2) C(18) 29.5(9) 0_555 2_1 5_555 55_5 yes
C(13) C(14) C(15) C(16) 1(2) 0_555 2_1 5_555 55_5 yes
C(13) C(18) Ru(2) C(14) -31.0(10) 0_555 2_1 5_555 55_5 yes
C(13) C(18) Ru(2) C(15) -66(1) 0_555 2_1 5_555 55_5 yes
C(13) C(18) Ru(2) C(16) -103(1) 0_555 2_1 5_555 55_5 yes
C(13) C(18) Ru(2) C(17) -131(1) 0_555 2_1 5_555 55_5 yes
C(13) C(18) C(17) C(16) 1(2) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) O(1) C(19) -100(1) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(13) C(18) 130(1) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(15) C(16) -131(2) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(16) C(15) 29(1) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(16) C(17) -100(1) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(17) C(16) 67(1) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(17) C(18) -68(1) 0_555 2_1 5_555 55_5 yes
C(14) Ru(2) C(18) C(17) 100(1) 0_555 2_1 5_555 55_5 yes
C(14) C(13) Ru(2) C(15) -26.6(10) 0_555 2_1 5_555 55_5 yes
C(14) C(13) Ru(2) C(16) -63(1) 0_555 2_1 5_555 55_5 yes
C(14) C(13) Ru(2) C(17) -101(1) 0_555 2_1 5_555 55_5 yes
C(14) C(13) Ru(2) C(18) -130(1) 0_555 2_1 5_555 55_5 yes
C(14) C(13) C(18) C(17) 0(2) 0_555 2_1 5_555 55_5 yes
C(14) C(15) Ru(2) C(16) 131(2) 0_555 2_1 5_555 55_5 yes
C(14) C(15) Ru(2) C(17) 99(1) 0_555 2_1 5_555 55_5 yes
C(14) C(15) Ru(2) C(18) 64(1) 0_555 2_1 5_555 55_5 yes
C(14) C(15) C(16) C(17) 0(2) 0_555 2_1 5_555 55_5 yes
C(15) Ru(2) O(1) C(19) -66(1) 0_555 2_1 5_555 55_5 yes
C(15) Ru(2) C(13) C(18) 104(1) 0_555 2_1 5_555 55_5 yes
C(15) Ru(2) C(16) C(17) -129(1) 0_555 2_1 5_555 55_5 yes
C(15) Ru(2) C(17) C(16) 30(1) 0_555 2_1 5_555 55_5 yes
C(15) Ru(2) C(17) C(18) -105(1) 0_555 2_1 5_555 55_5 yes
C(15) Ru(2) C(18) C(17) 64(1) 0_555 2_1 5_555 55_5 yes
C(15) C(14) Ru(2) C(16) -29(1) 0_555 2_1 5_555 55_5 yes
C(15) C(14) Ru(2) C(17) -69(1) 0_555 2_1 5_555 55_5 yes
C(15) C(14) Ru(2) C(18) -106(1) 0_555 2_1 5_555 55_5 yes
C(15) C(14) C(13) C(18) -2(2) 0_555 2_1 5_555 55_5 yes
C(15) C(16) Ru(2) C(17) 129(1) 0_555 2_1 5_555 55_5 yes
C(15) C(16) Ru(2) C(18) 103(1) 0_555 2_1 5_555 55_5 yes
C(15) C(16) C(17) C(18) -1(2) 0_555 2_1 5_555 55_5 yes
C(16) Ru(2) O(1) C(19) -29(1) 0_555 2_1 5_555 55_5 yes
C(16) Ru(2) C(13) C(18) 67(1) 0_555 2_1 5_555 55_5 yes
C(16) Ru(2) C(17) C(18) -135(1) 0_555 2_1 5_555 55_5 yes
C(16) Ru(2) C(18) C(17) 28.4(10) 0_555 2_1 5_555 55_5 yes
C(16) C(15) Ru(2) C(17) -32(1) 0_555 2_1 5_555 55_5 yes
C(16) C(15) Ru(2) C(18) -67(1) 0_555 2_1 5_555 55_5 yes
C(16) C(17) Ru(2) C(18) 135(1) 0_555 2_1 5_555 55_5 yes
C(17) Ru(2) O(1) C(19) 1(1) 0_555 2_1 5_555 55_5 yes
C(17) Ru(2) C(13) C(18) 29.1(9) 0_555 2_1 5_555 55_5 yes
C(17) C(16) Ru(2) C(18) -26(1) 0_555 2_1 5_555 55_5 yes
C(18) Ru(2) O(1) C(19) 24(3) 0_555 2_1 5_555 55_5 yes
C(18) Ru(2) O(1) C(19) 24(3) 0_555 2_1 5_555 55_5 yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139105825
