#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:57:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178731 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/42/4084258.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_4084258
loop_
_publ_author_name
'So, Shiu-Chun'
'Cheung, Wai-Man'
'Wang, Guo-Cang'
'Kwan Huang, Enrique'
'Lau, Man-Kit'
'Zhang, Qian-Feng'
'Sung, Herman H.-Y.'
'Williams, Ian D.'
'Leung, Wa-Hung'
_publ_section_title
;
 Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV)
 Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4497
_journal_paper_doi               10.1021/om500707e
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C32 H36 Cl4 O4 Ru2'
_chemical_formula_sum            'C32 H36 Cl4 O4 Ru2'
_chemical_formula_weight         828.55
_chemical_name_systematic
;
 ? 
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_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_date             2014-03-25
_audit_creation_method
;
  Olex2 1.2-beta
  (compiled May  9 2012 12:37:22, GUI svn.r4230)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.714(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.3897(4)
_cell_length_b                   8.3986(2)
_cell_length_c                   15.2805(4)
_cell_measurement_reflns_used    3785
_cell_measurement_temperature    99.93(17)
_cell_measurement_theta_max      75.3470
_cell_measurement_theta_min      6.0450
_cell_volume                     1645.77(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      99.93(17)
_diffrn_detector_area_resol_mean 10.3587
_diffrn_measured_fraction_theta_full 0.9889
_diffrn_measured_fraction_theta_max 0.9502
_diffrn_measurement_details
;
  1 omega   33.00   90.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -30.0000 -150.0000 57

  2 omega -111.00    2.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.8203  -19.0000 -150.0000 113

  3 omega -118.00  -87.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.8203 -156.0000  -68.0000 31

  4 omega   23.00   88.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       40.8203 -125.0000 -180.0000 65

  5 omega   35.00   90.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -30.0000  150.0000 55

  6 omega   34.00  107.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703 -111.0000  150.0000 73

  7 omega   57.00  150.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  178.0000  150.0000 93

  8 omega   30.00   91.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -94.0000 -180.0000 61

  9 omega   33.00   90.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -30.0000  -90.0000 57

 10 omega -117.00  -22.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.8203  -37.0000  120.0000 95

 11 omega -115.00  -11.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.8203  -57.0000   30.0000 104
;
_diffrn_measurement_device       'kappa diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0926495000
_diffrn_orient_matrix_UB_12      0.1165803000
_diffrn_orient_matrix_UB_13      -0.0264218000
_diffrn_orient_matrix_UB_21      -0.0761076000
_diffrn_orient_matrix_UB_22      -0.1397856000
_diffrn_orient_matrix_UB_23      -0.0055330000
_diffrn_orient_matrix_UB_31      0.0075253000
_diffrn_orient_matrix_UB_32      0.0224614000
_diffrn_orient_matrix_UB_33      0.1017521000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6343
_diffrn_reflns_theta_full        66.50
_diffrn_reflns_theta_max         67.99
_diffrn_reflns_theta_min         6.08
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           0.80
_diffrn_source_power             0.040
_diffrn_source_target            Cu
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    10.703
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.685
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2912
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0608P)²+2.2663P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.0946
_reflns_number_gt                2687
_reflns_number_total             2912
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500707e_si_002.cif
_cod_data_source_block           benson7cult
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4084258
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         'Ru Ph2 O2 Me2 Me Cl3'
_reflns_odcompleteness_completeness 98.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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 0.076973(19) 0.16801(3) 0.478865(16) 0.02892(12) Uani 1 1 d . . .
Cl1 Cl -0.10406(6) 0.10633(10) 0.46893(6) 0.0349(2) Uani 1 1 d . . .
Cl2 Cl 0.09785(8) 0.24084(11) 0.63510(6) 0.0399(2) Uani 1 1 d . . .
O1 O -0.0829(2) 0.2940(3) 0.28900(17) 0.0356(5) Uani 1 1 d . . .
O2 O 0.6406(4) 0.1105(7) 0.6650(4) 0.0610(12) Uiso 0.67 1 d P A 1
O2A O 0.6259(9) 0.2511(15) 0.6985(8) 0.068(3) Uiso 0.33 1 d P A 2
C1 C 0.0163(3) 0.2718(5) 0.3392(2) 0.0363(8) Uani 1 1 d . . .
C2 C 0.0585(3) 0.3915(5) 0.4048(3) 0.0390(8) Uani 1 1 d . D .
H2 H 0.0169 0.4802 0.4107 0.047 Uiso 1 1 calc R . .
C3 C 0.1627(3) 0.3792(5) 0.4615(3) 0.0448(9) Uani 1 1 d . . .
H3 H 0.1922 0.4632 0.5025 0.054 Uiso 0.33 1 calc PR B 2
C4 C 0.2237(3) 0.2402(5) 0.4573(3) 0.0418(9) Uani 1 1 d . A .
C5 C 0.1769(3) 0.1192(5) 0.3941(3) 0.0404(9) Uani 1 1 d . . .
H5 H 0.2159 0.0259 0.3909 0.048 Uiso 0.67 1 calc PR C 1
C6 C 0.0744(3) 0.1327(5) 0.3357(2) 0.0372(8) Uani 1 1 d . D .
H6 H 0.0447 0.0491 0.2945 0.045 Uiso 1 1 calc R . .
C7 C -0.1313(3) 0.1677(5) 0.2286(3) 0.0444(10) Uani 1 1 d . . .
H7A H -0.0943 0.1521 0.1825 0.067 Uiso 1 1 calc R . .
H7B H -0.2042 0.1954 0.1984 0.067 Uiso 1 1 calc R . .
H7C H -0.1286 0.0693 0.2637 0.067 Uiso 1 1 calc R . .
C8 C 0.2098(5) 0.5036(7) 0.5232(4) 0.0420(13) Uani 0.67 1 d P D 1
H8A H 0.1552 0.5696 0.5360 0.063 Uiso 0.67 1 calc PR D 1
H8B H 0.2531 0.5695 0.4957 0.063 Uiso 0.67 1 calc PR D 1
H8C H 0.2532 0.4571 0.5803 0.063 Uiso 0.67 1 calc PR D 1
C8A C 0.2462(13) 0.000(2) 0.3958(11) 0.064(4) Uiso 0.33 1 d P D 2
H8AA H 0.3153 0.0312 0.4347 0.097 Uiso 0.33 1 calc PR D 2
H8AB H 0.2499 -0.0205 0.3337 0.097 Uiso 0.33 1 calc PR D 2
H8AC H 0.2235 -0.0969 0.4204 0.097 Uiso 0.33 1 calc PR D 2
C11 C 0.5383(6) 0.1447(9) 0.6212(5) 0.0509(16) Uiso 0.67 1 d P A 1
C11A C 0.5263(12) 0.243(2) 0.6444(10) 0.057(3) Uiso 0.33 1 d P A 2
C12 C 0.5193(6) 0.2095(11) 0.5348(6) 0.0603(18) Uiso 0.67 1 d P A 1
H12 H 0.5766 0.2319 0.5117 0.072 Uiso 0.67 1 calc PR A 1
C12A C 0.5101(13) 0.306(2) 0.5564(11) 0.059(4) Uiso 0.33 1 d P A 2
H12A H 0.5675 0.3407 0.5367 0.071 Uiso 0.33 1 calc PR A 2
C13 C 0.4196(6) 0.2426(10) 0.4810(5) 0.0491(15) Uiso 0.67 1 d P A 1
C13A C 0.4098(14) 0.316(2) 0.4985(13) 0.062(4) Uiso 0.33 1 d P A 2
C14 C 0.3341(5) 0.2089(9) 0.5146(4) 0.0331(13) Uiso 0.67 1 d P A 1
C14A C 0.3309(13) 0.265(2) 0.5292(12) 0.055(4) Uiso 0.33 1 d P A 2
C15 C 0.3530(5) 0.1406(10) 0.6001(5) 0.0407(17) Uiso 0.67 1 d P A 1
H15 H 0.2958 0.1109 0.6217 0.049 Uiso 0.67 1 calc PR A 1
C15A C 0.3505(11) 0.190(2) 0.6119(10) 0.042(3) Uiso 0.33 1 d P A 2
H15A H 0.2942 0.1444 0.6295 0.050 Uiso 0.33 1 calc PR A 2
C16 C 0.4554(5) 0.1143(10) 0.6558(5) 0.0462(15) Uiso 0.67 1 d P A 1
H16 H 0.4674 0.0760 0.7164 0.055 Uiso 0.67 1 calc PR A 1
C16A C 0.4480(11) 0.1794(19) 0.6692(10) 0.047(3) Uiso 0.33 1 d P A 2
H16A H 0.4604 0.1272 0.7265 0.057 Uiso 0.33 1 calc PR A 2
C17 C 0.6658(7) 0.0603(11) 0.7575(6) 0.067(2) Uiso 0.67 1 d P A 1
H17A H 0.6290 -0.0391 0.7613 0.101 Uiso 0.67 1 calc PR A 1
H17B H 0.6447 0.1426 0.7940 0.101 Uiso 0.67 1 calc PR A 1
H17C H 0.7412 0.0428 0.7809 0.101 Uiso 0.67 1 calc PR A 1
C17A C 0.6483(15) 0.192(2) 0.7881(12) 0.068(4) Uiso 0.33 1 d P A 2
H17D H 0.6143 0.0886 0.7874 0.102 Uiso 0.33 1 calc PR A 2
H17E H 0.6224 0.2669 0.8258 0.102 Uiso 0.33 1 calc PR A 2
H17F H 0.7239 0.1797 0.8137 0.102 Uiso 0.33 1 calc PR A 2
C18 C 0.4021(8) 0.3121(13) 0.3868(7) 0.072(2) Uiso 0.67 1 d P A 1
H18A H 0.4695 0.3388 0.3773 0.108 Uiso 0.67 1 calc PR A 1
H18B H 0.3596 0.4086 0.3810 0.108 Uiso 0.67 1 calc PR A 1
H18C H 0.3659 0.2341 0.3409 0.108 Uiso 0.67 1 calc PR A 1
C18A C 0.3941(13) 0.384(2) 0.4044(12) 0.061(4) Uiso 0.33 1 d P A 2
H18D H 0.3388 0.4645 0.3921 0.092 Uiso 0.33 1 calc PR A 2
H18E H 0.3742 0.2985 0.3591 0.092 Uiso 0.33 1 calc PR A 2
H18F H 0.4591 0.4333 0.4006 0.092 Uiso 0.33 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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
Cl1 Ru1 Cl1 82.59(3) 3_556 .
Cl2 Ru1 Cl1 86.87(3) . .
Cl2 Ru1 Cl1 87.22(3) . 3_556
C1 Ru1 Cl1 86.66(10) . .
C1 Ru1 Cl1 131.54(11) . 3_556
C1 Ru1 Cl2 139.26(11) . .
C2 Ru1 Cl1 100.91(11) . .
C2 Ru1 Cl1 167.22(11) . 3_556
C2 Ru1 Cl2 105.17(11) . .
C2 Ru1 C1 37.54(15) . .
C2 Ru1 C3 38.16(15) . .
C2 Ru1 C4 69.58(15) . .
C2 Ru1 C6 68.31(15) . .
C3 Ru1 Cl1 135.78(12) . .
C3 Ru1 Cl1 141.31(12) . 3_556
C3 Ru1 Cl2 89.93(12) . .
C3 Ru1 C1 67.89(15) . .
C3 Ru1 C4 38.68(18) . .
C3 Ru1 C6 81.16(16) . .
C4 Ru1 Cl1 167.52(10) . .
C4 Ru1 Cl1 104.97(12) . 3_556
C4 Ru1 Cl2 103.20(12) . .
C4 Ru1 C1 80.90(14) . .
C4 Ru1 C6 69.04(16) . .
C5 Ru1 Cl1 134.46(12) . .
C5 Ru1 Cl1 87.54(12) . 3_556
C5 Ru1 Cl2 137.05(11) . .
C5 Ru1 C1 67.48(14) . .
C5 Ru1 C2 81.25(16) . .
C5 Ru1 C3 68.91(18) . .
C5 Ru1 C4 38.28(17) . .
C5 Ru1 C6 37.82(15) . .
C6 Ru1 Cl1 100.27(11) . .
C6 Ru1 Cl1 99.02(11) . 3_556
C6 Ru1 Cl2 171.02(11) . .
C6 Ru1 C1 37.19(15) . .
Ru1 Cl1 Ru1 97.41(3) 3_556 .
C1 O1 C7 117.1(3) . .
C11 O2 C17 117.7(6) . .
C11A O2A C17A 118.4(13) . .
O1 C1 Ru1 129.0(2) . .
O1 C1 C2 115.7(3) . .
O1 C1 C6 124.0(4) . .
C2 C1 Ru1 68.8(2) . .
C6 C1 Ru1 70.1(2) . .
C6 C1 C2 120.1(3) . .
C1 C2 Ru1 73.6(2) . .
C1 C2 C3 120.2(4) . .
C3 C2 Ru1 71.0(2) . .
C2 C3 Ru1 70.9(2) . .
C2 C3 C4 120.2(4) . .
C2 C3 C8 121.4(5) . .
C4 C3 Ru1 70.7(2) . .
C8 C3 Ru1 131.8(4) . .
C8 C3 C4 118.4(4) . .
C3 C4 Ru1 70.7(2) . .
C3 C4 C14 126.1(5) . .
C3 C4 C14A 106.4(8) . .
C5 C4 Ru1 70.2(2) . .
C5 C4 C3 117.9(3) . .
C5 C4 C14 116.0(4) . .
C5 C4 C14A 135.7(8) . .
C14 C4 Ru1 129.9(3) . .
C14 C4 C14A 19.7(7) . .
C14A C4 Ru1 128.5(7) . .
C4 C5 Ru1 71.5(2) . .
C6 C5 Ru1 72.8(2) . .
C6 C5 C4 122.1(4) . .
C8A C5 Ru1 131.8(8) . .
C8A C5 C4 110.4(8) . .
C8A C5 C6 127.3(8) . .
C1 C6 Ru1 72.7(2) . .
C5 C6 Ru1 69.4(2) . .
C5 C6 C1 119.3(4) . .
O2 C11 C12 115.5(7) . .
O2 C11 C16 125.1(7) . .
C16 C11 C12 119.4(7) . .
O2A C11A C12A 115.0(14) . .
C16A C11A O2A 124.4(14) . .
C16A C11A C12A 120.6(15) . .
C13 C12 C11 121.9(7) . .
C13A C12A C11A 119.6(15) . .
C12 C13 C14 119.4(7) . .
C12 C13 C18 120.3(7) . .
C14 C13 C18 120.3(7) . .
C12A C13A C18A 118.7(15) . .
C14A C13A C12A 118.1(17) . .
C14A C13A C18A 123.2(16) . .
C13 C14 C4 121.0(5) . .
C15 C14 C4 120.2(5) . .
C15 C14 C13 118.7(6) . .
C13A C14A C4 117.0(14) . .
C13A C14A C15A 120.7(16) . .
C15A C14A C4 119.2(13) . .
C14 C15 C16 121.2(6) . .
C16A C15A C14A 121.5(14) . .
C11 C16 C15 119.3(7) . .
C11A C16A C15A 119.0(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Cl1 2.4311(8) 3_556
Ru1 Cl1 2.4404(9) .
Ru1 Cl2 2.4017(9) .
Ru1 C1 2.231(3) .
Ru1 C2 2.169(4) .
Ru1 C3 2.170(4) .
Ru1 C4 2.170(4) .
Ru1 C5 2.153(4) .
Ru1 C6 2.198(4) .
Cl1 Ru1 2.4311(8) 3_556
O1 C1 1.342(4) .
O1 C7 1.433(5) .
O2 C11 1.371(9) .
O2 C17 1.419(9) .
O2A C11A 1.354(18) .
O2A C17A 1.40(2) .
C1 C2 1.417(6) .
C1 C6 1.413(6) .
C2 C3 1.419(6) .
C3 C4 1.438(7) .
C3 C8 1.427(7) .
C4 C5 1.418(6) .
C4 C14 1.509(7) .
C4 C14A 1.550(17) .
C5 C6 1.411(6) .
C5 C8A 1.360(17) .
C11 C12 1.383(11) .
C11 C16 1.383(10) .
C11A C12A 1.40(2) .
C11A C16A 1.33(2) .
C12 C13 1.379(11) .
C12A C13A 1.38(2) .
C13 C14 1.411(9) .
C13 C18 1.508(12) .
C13A C14A 1.35(2) .
C13A C18A 1.50(2) .
C14 C15 1.381(9) .
C14A C15A 1.37(2) .
C15 C16 1.408(10) .
C15A C16A 1.35(2) .
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_4
Ru1 C1 C2 C3 55.6(3) . .
Ru1 C1 C6 C5 -53.3(3) . .
Ru1 C2 C3 C4 52.6(3) . .
Ru1 C2 C3 C8 -127.9(5) . .
Ru1 C3 C4 C5 53.7(3) . .
Ru1 C3 C4 C14 -125.9(4) . .
Ru1 C3 C4 C14A -125.8(7) . .
Ru1 C4 C5 C6 54.7(3) . .
Ru1 C4 C5 C8A -128.7(8) . .
Ru1 C4 C14 C13 168.9(6) . .
Ru1 C4 C14 C15 -8.5(10) . .
Ru1 C4 C14A C13A -177.3(13) . .
Ru1 C4 C14A C15A 22(2) . .
Ru1 C5 C6 C1 54.9(3) . .
Cl1 Ru1 Cl1 Ru1 0.0 3_556 3_556
Cl1 Ru1 C1 O1 6.3(3) . .
Cl1 Ru1 C1 O1 83.3(4) 3_556 .
Cl1 Ru1 C1 C2 112.8(2) . .
Cl1 Ru1 C1 C2 -170.19(19) 3_556 .
Cl1 Ru1 C1 C6 -34.8(3) 3_556 .
Cl1 Ru1 C1 C6 -111.9(2) . .
Cl1 Ru1 C2 C1 -69.6(2) . .
Cl1 Ru1 C2 C1 35.2(6) 3_556 .
Cl1 Ru1 C2 C3 159.4(2) . .
Cl1 Ru1 C2 C3 -95.8(5) 3_556 .
Cl1 Ru1 C3 C2 -29.7(3) . .
Cl1 Ru1 C3 C2 159.38(19) 3_556 .
Cl1 Ru1 C3 C4 26.1(3) 3_556 .
Cl1 Ru1 C3 C4 -163.04(18) . .
Cl1 Ru1 C3 C8 85.7(5) . .
Cl1 Ru1 C3 C8 -85.2(5) 3_556 .
Cl1 Ru1 C4 C3 70.3(7) . .
Cl1 Ru1 C4 C3 -163.5(2) 3_556 .
Cl1 Ru1 C4 C5 -60.5(7) . .
Cl1 Ru1 C4 C5 65.8(2) 3_556 .
Cl1 Ru1 C4 C14 -42.1(5) 3_556 .
Cl1 Ru1 C4 C14 -168.3(5) . .
Cl1 Ru1 C4 C14A -67.5(10) 3_556 .
Cl1 Ru1 C4 C14A 166.3(10) . .
Cl1 Ru1 C5 C4 -118.2(2) 3_556 .
Cl1 Ru1 C5 C4 164.73(18) . .
Cl1 Ru1 C5 C6 108.1(2) 3_556 .
Cl1 Ru1 C5 C6 31.0(3) . .
Cl1 Ru1 C5 C8A -94.0(10) . .
Cl1 Ru1 C5 C8A -16.9(10) 3_556 .
Cl1 Ru1 C6 C1 154.3(2) 3_556 .
Cl1 Ru1 C6 C1 70.3(2) . .
Cl1 Ru1 C6 C5 -74.0(2) 3_556 .
Cl1 Ru1 C6 C5 -158.0(2) . .
Cl2 Ru1 Cl1 Ru1 -87.60(3) . 3_556
Cl2 Ru1 C1 O1 -75.0(4) . .
Cl2 Ru1 C1 C2 31.5(3) . .
Cl2 Ru1 C1 C6 166.85(19) . .
Cl2 Ru1 C2 C1 -159.32(19) . .
Cl2 Ru1 C2 C3 69.7(3) . .
Cl2 Ru1 C3 C2 -115.2(2) . .
Cl2 Ru1 C3 C4 111.5(2) . .
Cl2 Ru1 C3 C8 0.3(5) . .
Cl2 Ru1 C4 C3 -72.8(2) . .
Cl2 Ru1 C4 C5 156.4(2) . .
Cl2 Ru1 C4 C14 48.6(5) . .
Cl2 Ru1 C4 C14A 23.1(10) . .
Cl2 Ru1 C5 C4 -34.9(3) . .
Cl2 Ru1 C5 C6 -168.60(19) . .
Cl2 Ru1 C5 C8A 66.3(11) . .
Cl2 Ru1 C6 C1 -72.0(7) . .
Cl2 Ru1 C6 C5 59.6(8) . .
O1 C1 C2 Ru1 124.2(3) . .
O1 C1 C2 C3 179.8(3) . .
O1 C1 C6 Ru1 -124.2(3) . .
O1 C1 C6 C5 -177.6(3) . .
O2 C11 C12 C13 176.8(8) . .
O2 C11 C16 C15 -173.7(7) . .
O2A C11A C12A C13A -174.3(16) . .
O2A C11A C16A C15A 174.7(15) . .
C1 Ru1 Cl1 Ru1 132.64(11) . 3_556
C1 Ru1 C2 C3 -131.0(4) . .
C1 Ru1 C3 C2 29.8(2) . .
C1 Ru1 C3 C4 -103.6(3) . .
C1 Ru1 C3 C8 145.2(5) . .
C1 Ru1 C4 C3 65.8(2) . .
C1 Ru1 C4 C5 -65.0(2) . .
C1 Ru1 C4 C14 -172.8(5) . .
C1 Ru1 C4 C14A 161.8(10) . .
C1 Ru1 C5 C4 104.4(3) . .
C1 Ru1 C5 C6 -29.3(2) . .
C1 Ru1 C5 C8A -154.4(11) . .
C1 Ru1 C6 C5 131.7(4) . .
C1 C2 C3 Ru1 -56.9(3) . .
C1 C2 C3 C4 -4.3(5) . .
C1 C2 C3 C8 175.2(4) . .
C2 Ru1 Cl1 Ru1 167.55(11) . 3_556
C2 Ru1 C1 O1 -106.5(4) . .
C2 Ru1 C1 C6 135.4(3) . .
C2 Ru1 C3 C4 -133.3(4) . .
C2 Ru1 C3 C8 115.4(6) . .
C2 Ru1 C4 C3 28.7(2) . .
C2 Ru1 C4 C5 -102.1(2) . .
C2 Ru1 C4 C14 150.1(6) . .
C2 Ru1 C4 C14A 124.6(10) . .
C2 Ru1 C5 C4 68.0(2) . .
C2 Ru1 C5 C6 -65.7(3) . .
C2 Ru1 C5 C8A 169.2(11) . .
C2 Ru1 C6 C1 -27.4(2) . .
C2 Ru1 C6 C5 104.2(3) . .
C2 C1 C6 Ru1 49.2(3) . .
C2 C1 C6 C5 -4.1(5) . .
C2 C3 C4 Ru1 -52.7(3) . .
C2 C3 C4 C5 1.0(5) . .
C2 C3 C4 C14 -178.6(4) . .
C2 C3 C4 C14A -178.5(7) . .
C3 Ru1 Cl1 Ru1 -174.27(16) . 3_556
C3 Ru1 C1 O1 -136.7(4) . .
C3 Ru1 C1 C2 -30.2(2) . .
C3 Ru1 C1 C6 105.1(3) . .
C3 Ru1 C2 C1 131.0(4) . .
C3 Ru1 C4 C5 -130.8(3) . .
C3 Ru1 C4 C14 121.4(6) . .
C3 Ru1 C4 C14A 96.0(11) . .
C3 Ru1 C5 C4 30.5(2) . .
C3 Ru1 C5 C6 -103.2(3) . .
C3 Ru1 C5 C8A 131.7(11) . .
C3 Ru1 C6 C1 -64.8(3) . .
C3 Ru1 C6 C5 66.8(3) . .
C3 C4 C5 Ru1 -53.9(3) . .
C3 C4 C5 C6 0.7(5) . .
C3 C4 C5 C8A 177.3(8) . .
C3 C4 C14 C13 -96.7(8) . .
C3 C4 C14 C15 85.9(8) . .
C3 C4 C14A C13A -99.2(17) . .
C3 C4 C14A C15A 100.5(17) . .
C4 Ru1 Cl1 Ru1 128.2(6) . 3_556
C4 Ru1 C1 O1 -174.7(4) . .
C4 Ru1 C1 C2 -68.2(2) . .
C4 Ru1 C1 C6 67.2(3) . .
C4 Ru1 C2 C1 102.0(3) . .
C4 Ru1 C2 C3 -29.0(3) . .
C4 Ru1 C3 C2 133.3(4) . .
C4 Ru1 C3 C8 -111.3(6) . .
C4 Ru1 C5 C6 -133.7(4) . .
C4 Ru1 C5 C8A 101.2(11) . .
C4 Ru1 C6 C1 -103.0(3) . .
C4 Ru1 C6 C5 28.7(3) . .
C4 C5 C6 Ru1 -54.1(3) . .
C4 C5 C6 C1 0.8(5) . .
C4 C14 C15 C16 -178.3(7) . .
C4 C14A C15A C16A 166.0(15) . .
C5 Ru1 Cl1 Ru1 79.14(15) . 3_556
C5 Ru1 C1 O1 147.9(4) . .
C5 Ru1 C1 C2 -105.6(3) . .
C5 Ru1 C1 C6 29.7(2) . .
C5 Ru1 C2 C1 64.2(2) . .
C5 Ru1 C2 C3 -66.8(3) . .
C5 Ru1 C3 C2 103.1(3) . .
C5 Ru1 C3 C4 -30.2(2) . .
C5 Ru1 C3 C8 -141.5(5) . .
C5 Ru1 C4 C3 130.8(3) . .
C5 Ru1 C4 C14 -107.8(6) . .
C5 Ru1 C4 C14A -133.3(11) . .
C5 Ru1 C6 C1 -131.7(4) . .
C5 C4 C14 C13 83.7(8) . .
C5 C4 C14 C15 -93.8(8) . .
C5 C4 C14A C13A 81.4(19) . .
C5 C4 C14A C15A -78.9(19) . .
C6 Ru1 Cl1 Ru1 97.88(11) . 3_556
C6 Ru1 C1 O1 118.1(5) . .
C6 Ru1 C1 C2 -135.4(3) . .
C6 Ru1 C2 C1 27.2(2) . .
C6 Ru1 C2 C3 -103.8(3) . .
C6 Ru1 C3 C2 66.0(3) . .
C6 Ru1 C3 C4 -67.4(2) . .
C6 Ru1 C3 C8 -178.6(5) . .
C6 Ru1 C4 C3 102.4(2) . .
C6 Ru1 C4 C5 -28.3(2) . .
C6 Ru1 C4 C14 -136.2(6) . .
C6 Ru1 C4 C14A -161.6(10) . .
C6 Ru1 C5 C4 133.7(4) . .
C6 Ru1 C5 C8A -125.1(11) . .
C6 C1 C2 Ru1 -49.8(3) . .
C6 C1 C2 C3 5.8(5) . .
C7 O1 C1 Ru1 -91.1(4) . .
C7 O1 C1 C2 -173.8(3) . .
C7 O1 C1 C6 -0.1(5) . .
C8 C3 C4 Ru1 127.8(4) . .
C8 C3 C4 C5 -178.5(4) . .
C8 C3 C4 C14 2.0(7) . .
C8 C3 C4 C14A 2.0(8) . .
C8A C5 C6 Ru1 129.9(10) . .
C8A C5 C6 C1 -175.2(10) . .
C11 C12 C13 C14 -0.3(14) . .
C11 C12 C13 C18 -179.5(8) . .
C11A C12A C13A C14A 0(3) . .
C11A C12A C13A C18A 180.0(17) . .
C12 C11 C16 C15 3.9(12) . .
C12 C13 C14 C4 -178.7(7) . .
C12 C13 C14 C15 -1.2(13) . .
C12A C11A C16A C15A -7(3) . .
C12A C13A C14A C4 -166.0(15) . .
C12A C13A C14A C15A -6(3) . .
C13 C14 C15 C16 4.2(12) . .
C13A C14A C15A C16A 7(3) . .
C14 C4 C5 Ru1 125.7(4) . .
C14 C4 C5 C6 -179.6(4) . .
C14 C4 C5 C8A -3.0(9) . .
C14 C4 C14A C13A 81(3) . .
C14 C4 C14A C15A -80(2) . .
C14 C15 C16 C11 -5.6(13) . .
C14A C4 C5 Ru1 125.4(10) . .
C14A C4 C5 C6 -179.9(9) . .
C14A C4 C5 C8A -3.3(13) . .
C14A C4 C14 C13 -97(2) . .
C14A C4 C14 C15 86(2) . .
C14A C15A C16A C11A 0(3) . .
C16 C11 C12 C13 -1.1(13) . .
C16A C11A C12A C13A 7(3) . .
C17 O2 C11 C12 173.2(7) . .
C17 O2 C11 C16 -9.1(11) . .
C17A O2A C11A C12A 179.4(15) . .
C17A O2A C11A C16A -2(3) . .
C18 C13 C14 C4 0.5(12) . .
C18 C13 C14 C15 178.0(8) . .
C18A C13A C14A C4 14(3) . .
C18A C13A C14A C15A 173.5(18) . .
