#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:26:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179110 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/72/4307257.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_4307257
loop_
_publ_author_name
'Ramalingam Venkateswaran'
'Joel T. Mague'
'Maravanji S. Balakrishna'
_publ_section_title
;
Ruthenium(II) Complexes Containing Bis(2-(diphenylphosphino)phenyl) Ether
and Their Catalytic Activity in Hydrogenation Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              809
_journal_page_last               817
_journal_paper_doi               10.1021/ic061782l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C41 H40 Cl8 O2 P2 Ru S'
_chemical_formula_weight         1043.40
_chemical_name_systematic
; 
 cis-Dichloro(dimethylsulfoxide)(bis(2-diphenylphosphino
phenyl)ether)ruthenium(II) Dichloromethane solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.377(1)
_cell_angle_beta                 106.488(1)
_cell_angle_gamma                96.296(1)
_cell_formula_units_Z            2
_cell_length_a                   11.4515(9)
_cell_length_b                   13.868(1)
_cell_length_c                   15.372(1)
_cell_measurement_reflns_used    5332
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.23
_cell_volume                     2320.0(3)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20369
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    0.946
_exptl_absorpt_correction_T_max  0.9214
_exptl_absorpt_correction_T_min  0.7810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.359
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         10418
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0664P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                8335
_reflns_number_total             10418
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic061782lsi20060920_072633.cif
_cod_data_source_block           msb185
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2320.1(3)
_cod_database_code               4307257
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.71343(2) 0.679392(16) 0.733086(15) 0.01323(7) Uani 1 1 d . . .
Cl1 Cl 0.76336(7) 0.68260(5) 0.58956(5) 0.01864(16) Uani 1 1 d . . .
Cl2 Cl 0.83660(7) 0.54516(5) 0.75864(5) 0.01959(16) Uani 1 1 d . . .
S S 0.86532(7) 0.78713(5) 0.81069(5) 0.01621(16) Uani 1 1 d . . .
P1 P 0.63853(7) 0.63599(6) 0.85130(5) 0.01485(16) Uani 1 1 d . . .
P2 P 0.57985(7) 0.78700(5) 0.67174(5) 0.01435(16) Uani 1 1 d . . .
O1 O 0.56014(18) 0.56917(14) 0.65714(13) 0.0151(4) Uani 1 1 d . . .
O2 O 0.8379(2) 0.87621(16) 0.85377(15) 0.0213(5) Uani 1 1 d . . .
C1 C 0.7370(3) 0.6056(2) 0.9613(2) 0.0188(6) Uani 1 1 d . . .
C2 C 0.8059(3) 0.5284(3) 0.9665(2) 0.0269(7) Uani 1 1 d . . .
H2 H 0.8013 0.4905 0.9124 0.032 Uiso 1 1 calc R . .
C3 C 0.8803(3) 0.5057(3) 1.0479(2) 0.0272(7) Uani 1 1 d . . .
H3 H 0.9268 0.4528 1.0493 0.033 Uiso 1 1 calc R . .
C4 C 0.8887(3) 0.5582(3) 1.1276(2) 0.0269(7) Uani 1 1 d . . .
H4 H 0.9397 0.5415 1.1838 0.032 Uiso 1 1 calc R . .
C5 C 0.8225(4) 0.6353(3) 1.1251(2) 0.0370(9) Uani 1 1 d . . .
H5 H 0.8277 0.6721 1.1799 0.044 Uiso 1 1 calc R . .
C6 C 0.7475(3) 0.6599(3) 1.0424(2) 0.0296(8) Uani 1 1 d . . .
H6 H 0.7032 0.7141 1.0413 0.035 Uiso 1 1 calc R . .
C7 C 0.5327(3) 0.7026(2) 0.89019(19) 0.0167(6) Uani 1 1 d . . .
C8 C 0.5727(3) 0.7994(2) 0.9239(2) 0.0189(6) Uani 1 1 d . . .
H8 H 0.6477 0.8308 0.9179 0.023 Uiso 1 1 calc R . .
C9 C 0.5025(3) 0.8495(2) 0.9661(2) 0.0233(7) Uani 1 1 d . . .
H9 H 0.5309 0.9149 0.9902 0.028 Uiso 1 1 calc R . .
C10 C 0.3920(3) 0.8052(3) 0.9734(2) 0.0279(8) Uani 1 1 d . . .
H10 H 0.3442 0.8400 1.0020 0.033 Uiso 1 1 calc R . .
C11 C 0.3510(3) 0.7098(3) 0.9387(2) 0.0252(7) Uani 1 1 d . . .
H11 H 0.2745 0.6795 0.9430 0.030 Uiso 1 1 calc R . .
C12 C 0.4209(3) 0.6581(2) 0.8976(2) 0.0221(7) Uani 1 1 d . . .
H12 H 0.3926 0.5925 0.8745 0.026 Uiso 1 1 calc R . .
C13 C 0.5546(3) 0.5166(2) 0.8034(2) 0.0193(6) Uani 1 1 d . . .
C14 C 0.5269(3) 0.4431(2) 0.8562(2) 0.0247(7) Uani 1 1 d . . .
H14 H 0.5395 0.4572 0.9194 0.030 Uiso 1 1 calc R . .
C15 C 0.4810(4) 0.3493(3) 0.8174(3) 0.0321(8) Uani 1 1 d . . .
H15 H 0.4607 0.3001 0.8538 0.038 Uiso 1 1 calc R . .
C16 C 0.4651(4) 0.3276(3) 0.7261(3) 0.0327(8) Uani 1 1 d . . .
H16 H 0.4346 0.2632 0.7001 0.039 Uiso 1 1 calc R . .
C17 C 0.4933(3) 0.3993(2) 0.6716(2) 0.0259(7) Uani 1 1 d . . .
H17 H 0.4858 0.3840 0.6093 0.031 Uiso 1 1 calc R . .
C18 C 0.5325(3) 0.4937(2) 0.7110(2) 0.0190(6) Uani 1 1 d . . .
C19 C 0.4571(3) 0.6044(2) 0.5962(2) 0.0164(6) Uani 1 1 d . . .
C20 C 0.3693(3) 0.5399(2) 0.5340(2) 0.0199(6) Uani 1 1 d . . .
H20 H 0.3767 0.4723 0.5319 0.024 Uiso 1 1 calc R . .
C21 C 0.2706(3) 0.5750(2) 0.4747(2) 0.0222(7) Uani 1 1 d . . .
H21 H 0.2099 0.5312 0.4316 0.027 Uiso 1 1 calc R . .
C22 C 0.2599(3) 0.6732(2) 0.4779(2) 0.0216(7) Uani 1 1 d . . .
H22 H 0.1906 0.6965 0.4384 0.026 Uiso 1 1 calc R . .
C23 C 0.3496(3) 0.7375(2) 0.5383(2) 0.0197(6) Uani 1 1 d . . .
H23 H 0.3422 0.8050 0.5395 0.024 Uiso 1 1 calc R . .
C24 C 0.4523(3) 0.7039(2) 0.5985(2) 0.0170(6) Uani 1 1 d . . .
C25 C 0.6266(3) 0.8684(2) 0.5924(2) 0.0180(6) Uani 1 1 d . . .
C26 C 0.5720(3) 0.8567(2) 0.4983(2) 0.0233(7) Uani 1 1 d . . .
H26 H 0.5087 0.8045 0.4730 0.028 Uiso 1 1 calc R . .
C27 C 0.6093(3) 0.9204(3) 0.4413(2) 0.0273(7) Uani 1 1 d . . .
H27 H 0.5694 0.9127 0.3777 0.033 Uiso 1 1 calc R . .
C28 C 0.7039(3) 0.9948(2) 0.4762(2) 0.0295(8) Uani 1 1 d . . .
H28 H 0.7299 1.0377 0.4369 0.035 Uiso 1 1 calc R . .
C29 C 0.7602(4) 1.0064(3) 0.5687(2) 0.0300(8) Uani 1 1 d . . .
H29 H 0.8258 1.0572 0.5929 0.036 Uiso 1 1 calc R . .
C30 C 0.7221(3) 0.9446(2) 0.6264(2) 0.0240(7) Uani 1 1 d . . .
H30 H 0.7613 0.9540 0.6900 0.029 Uiso 1 1 calc R . .
C31 C 0.5053(3) 0.8700(2) 0.72862(19) 0.0161(6) Uani 1 1 d . . .
C32 C 0.3829(3) 0.8489(2) 0.7271(2) 0.0224(7) Uani 1 1 d . . .
H32 H 0.3386 0.7876 0.7010 0.027 Uiso 1 1 calc R . .
C33 C 0.3250(3) 0.9161(3) 0.7631(2) 0.0286(8) Uani 1 1 d . . .
H33 H 0.2412 0.9006 0.7607 0.034 Uiso 1 1 calc R . .
C34 C 0.3869(3) 1.0049(3) 0.8023(2) 0.0279(8) Uani 1 1 d . . .
H34 H 0.3458 1.0513 0.8253 0.033 Uiso 1 1 calc R . .
C35 C 0.5100(3) 1.0260(2) 0.8079(2) 0.0247(7) Uani 1 1 d . . .
H35 H 0.5543 1.0864 0.8366 0.030 Uiso 1 1 calc R . .
C36 C 0.5689(3) 0.9593(2) 0.7719(2) 0.0220(7) Uani 1 1 d . . .
H36 H 0.6535 0.9743 0.7767 0.026 Uiso 1 1 calc R . .
C37 C 0.9660(3) 0.8267(3) 0.7455(2) 0.0256(7) Uani 1 1 d . . .
H37A H 0.9200 0.8562 0.6916 0.038 Uiso 1 1 calc R . .
H37B H 1.0008 0.7707 0.7265 0.038 Uiso 1 1 calc R . .
H37C H 1.0325 0.8747 0.7827 0.038 Uiso 1 1 calc R . .
C38 C 0.9747(3) 0.7371(3) 0.8987(2) 0.0276(8) Uani 1 1 d . . .
H38A H 1.0419 0.7881 0.9293 0.041 Uiso 1 1 calc R . .
H38B H 1.0075 0.6846 0.8722 0.041 Uiso 1 1 calc R . .
H38C H 0.9348 0.7113 0.9429 0.041 Uiso 1 1 calc R . .
Cl5 Cl 0.93035(9) 0.55704(7) 0.37940(6) 0.0393(2) Uani 1 1 d . . .
Cl6 Cl 0.82773(8) 0.36866(7) 0.28118(7) 0.0373(2) Uani 1 1 d . . .
C40 C 0.9437(3) 0.4305(3) 0.3735(2) 0.0300(8) Uani 1 1 d . . .
H40A H 1.0251 0.4209 0.3666 0.036 Uiso 1 1 calc R . .
H40B H 0.9375 0.4033 0.4308 0.036 Uiso 1 1 calc R . .
Cl7 Cl 0.71252(11) 0.18636(7) 0.70786(7) 0.0454(3) Uani 1 1 d . . .
Cl8 Cl 0.82743(12) 0.27199(9) 0.89122(7) 0.0562(3) Uani 1 1 d . . .
C41 C 0.8046(4) 0.2870(3) 0.7754(3) 0.0465(11) Uani 1 1 d . . .
H41A H 0.8850 0.2957 0.7628 0.056 Uiso 1 1 calc R . .
H41B H 0.7648 0.3463 0.7595 0.056 Uiso 1 1 calc R . .
Cl9 Cl 0.05255(16) 0.10260(10) 0.81292(10) 0.0716(4) Uani 1 1 d . . .
Cl10 Cl 0.17948(9) -0.01077(8) 0.95783(7) 0.0433(2) Uani 1 1 d . . .
C42 C 0.0579(4) 0.0592(3) 0.9209(3) 0.0407(10) Uani 1 1 d . . .
H42A H 0.0685 0.1151 0.9659 0.049 Uiso 1 1 calc R . .
H42B H -0.0207 0.0191 0.9169 0.049 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
S Ru O1 178.89(6) . . ?
S Ru P2 97.12(3) . . ?
O1 Ru P2 83.52(6) . . ?
S Ru P1 97.53(3) . . ?
O1 Ru P1 81.47(6) . . ?
P2 Ru P1 99.16(3) . . ?
S Ru Cl1 96.94(3) . . ?
O1 Ru Cl1 84.01(6) . . ?
P2 Ru Cl1 84.65(3) . . ?
P1 Ru Cl1 164.45(3) . . ?
S Ru Cl2 93.65(3) . . ?
O1 Ru Cl2 85.87(6) . . ?
P2 Ru Cl2 165.23(3) . . ?
P1 Ru Cl2 89.38(3) . . ?
Cl1 Ru Cl2 84.04(3) . . ?
O2 S C38 105.62(15) . . ?
O2 S C37 106.55(15) . . ?
C38 S C37 97.64(17) . . ?
O2 S Ru 119.21(9) . . ?
C38 S Ru 113.27(12) . . ?
C37 S Ru 112.16(11) . . ?
C7 P1 C13 106.58(15) . . ?
C7 P1 C1 99.97(14) . . ?
C13 P1 C1 101.47(14) . . ?
C7 P1 Ru 123.43(10) . . ?
C13 P1 Ru 99.41(10) . . ?
C1 P1 Ru 122.99(10) . . ?
C24 P2 C31 103.90(14) . . ?
C24 P2 C25 103.81(14) . . ?
C31 P2 C25 100.15(14) . . ?
C24 P2 Ru 100.56(10) . . ?
C31 P2 Ru 129.42(9) . . ?
C25 P2 Ru 115.96(10) . . ?
C18 O1 C19 116.1(2) . . ?
C18 O1 Ru 113.28(17) . . ?
C19 O1 Ru 116.74(16) . . ?
C2 C1 C6 117.3(3) . . ?
C2 C1 P1 120.9(2) . . ?
C6 C1 P1 121.7(2) . . ?
C3 C2 C1 121.4(3) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C2 C3 C4 121.0(3) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 120.3(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 120.7(3) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C12 C7 C8 119.4(3) . . ?
C12 C7 P1 122.6(2) . . ?
C8 C7 P1 117.6(2) . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C10 C9 C8 120.6(3) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 119.7(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 120.5(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 120.0(3) . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C18 C13 C14 118.0(3) . . ?
C18 C13 P1 117.8(2) . . ?
C14 C13 P1 123.6(2) . . ?
C15 C14 C13 120.8(3) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C16 C15 C14 119.9(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.7(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 118.2(3) . . ?
C18 C17 H17 120.9 . . ?
C16 C17 H17 120.9 . . ?
C13 C18 C17 122.2(3) . . ?
C13 C18 O1 117.9(3) . . ?
C17 C18 O1 119.8(3) . . ?
C20 C19 C24 122.0(3) . . ?
C20 C19 O1 119.7(3) . . ?
C24 C19 O1 118.2(3) . . ?
C19 C20 C21 119.2(3) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.7(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 117.5(3) . . ?
C19 C24 P2 120.3(2) . . ?
C23 C24 P2 122.1(2) . . ?
C26 C25 C30 117.6(3) . . ?
C26 C25 P2 122.8(2) . . ?
C30 C25 P2 119.5(2) . . ?
C27 C26 C25 120.8(3) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.5(3) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 120.5(3) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 121.0(3) . . ?
C29 C30 H30 119.5 . . ?
C25 C30 H30 119.5 . . ?
C32 C31 C36 117.7(3) . . ?
C32 C31 P2 121.6(2) . . ?
C36 C31 P2 120.7(2) . . ?
C33 C32 C31 120.8(3) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C34 C33 C32 121.0(3) . . ?
C34 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
C33 C34 C35 119.2(3) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C35 C36 C31 120.9(3) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
S C37 H37A 109.5 . . ?
S C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
S C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
S C38 H38A 109.5 . . ?
S C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
S C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Cl6 C40 Cl5 110.8(2) . . ?
Cl6 C40 H40A 109.5 . . ?
Cl5 C40 H40A 109.5 . . ?
Cl6 C40 H40B 109.5 . . ?
Cl5 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
Cl8 C41 Cl7 111.3(2) . . ?
Cl8 C41 H41A 109.4 . . ?
Cl7 C41 H41A 109.4 . . ?
Cl8 C41 H41B 109.4 . . ?
Cl7 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
Cl10 C42 Cl9 111.1(2) . . ?
Cl10 C42 H42A 109.4 . . ?
Cl9 C42 H42A 109.4 . . ?
Cl10 C42 H42B 109.4 . . ?
Cl9 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
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
Ru S 2.1876(8) . ?
Ru O1 2.209(2) . ?
Ru P2 2.2924(8) . ?
Ru P1 2.2940(8) . ?
Ru Cl1 2.4323(8) . ?
Ru Cl2 2.4355(8) . ?
S O2 1.483(2) . ?
S C38 1.785(3) . ?
S C37 1.788(3) . ?
P1 C7 1.814(3) . ?
P1 C13 1.832(3) . ?
P1 C1 1.841(3) . ?
P2 C24 1.822(3) . ?
P2 C31 1.837(3) . ?
P2 C25 1.843(3) . ?
O1 C18 1.424(3) . ?
O1 C19 1.430(3) . ?
C1 C2 1.391(4) . ?
C1 C6 1.396(5) . ?
C2 C3 1.371(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.372(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.372(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.396(5) . ?
C7 C8 1.397(4) . ?
C8 C9 1.390(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.388(4) . ?
C13 C14 1.394(4) . ?
C14 C15 1.390(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(4) . ?
C17 H17 0.9500 . ?
C19 C20 1.382(4) . ?
C19 C24 1.386(4) . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.379(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.413(4) . ?
C23 H23 0.9500 . ?
C25 C26 1.399(4) . ?
C25 C30 1.401(4) . ?
C26 C27 1.387(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.383(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.394(4) . ?
C31 C36 1.401(4) . ?
C32 C33 1.385(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.373(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
Cl5 C40 1.779(4) . ?
Cl6 C40 1.759(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
Cl7 C41 1.753(4) . ?
Cl8 C41 1.749(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
Cl9 C42 1.776(5) . ?
Cl10 C42 1.760(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
