#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/72/4307260.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_4307260
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            'C55.5 H44.5 Cl7 O P3 Ru'
_chemical_formula_weight         1169.54
_chemical_name_systematic
; 
 trans-Dichloro(triphenylphosphine)(di(2-
diphenylphosphinophenyl)ether)ruthenium(II) 
chloroform solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.018(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.252(1)
_cell_length_b                   36.228(4)
_cell_length_c                   12.190(1)
_cell_measurement_reflns_used    8858
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.35
_cell_volume                     5145.4(8)
_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      373(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0775
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            90001
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_T_max  0.9299
_exptl_absorpt_correction_T_min  0.7538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Column
_exptl_crystal_F_000             2374
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.453
_refine_diff_density_min         -1.670
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     639
_refine_ls_number_reflns         12792
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0582P)²+22.3310P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1542
_refine_ls_wR_factor_ref         0.1617
_reflns_number_gt                10177
_reflns_number_total             12792
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic061782lsi20060920_072856.cif
_cod_data_source_block           msb224a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        5145.2(9)
_cod_original_formula_sum        'C55.50 H44.50 Cl7 O P3 Ru'
_cod_database_code               4307260
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.62724(3) 0.100110(9) 0.78357(3) 0.01289(9) Uani 1 1 d . . .
Cl1 Cl 0.50710(9) 0.04828(3) 0.70009(9) 0.0172(2) Uani 1 1 d . . .
Cl2 Cl 0.75066(9) 0.14453(3) 0.90701(9) 0.0198(2) Uani 1 1 d . . .
P1 P 0.78518(10) 0.05966(3) 0.84281(9) 0.0146(2) Uani 1 1 d . . .
P2 P 0.47679(10) 0.13804(3) 0.79778(9) 0.0145(2) Uani 1 1 d . . .
P3 P 0.63581(10) 0.11927(3) 0.61031(9) 0.0136(2) Uani 1 1 d . . .
O O 0.6129(3) 0.08049(8) 0.9524(2) 0.0166(6) Uani 1 1 d . . .
C1 C 0.8274(4) 0.02316(13) 0.7587(4) 0.0192(9) Uani 1 1 d . . .
C2 C 0.7421(4) 0.00171(13) 0.6823(4) 0.0207(9) Uani 1 1 d . . .
H2 H 0.6652 0.0062 0.6737 0.025 Uiso 1 1 calc R . .
C3 C 0.7725(4) -0.02625(13) 0.6194(4) 0.0239(10) Uani 1 1 d . . .
H3 H 0.7158 -0.0403 0.5682 0.029 Uiso 1 1 calc R . .
C4 C 0.8870(5) -0.03327(14) 0.6327(4) 0.0247(10) Uani 1 1 d . . .
H4 H 0.9072 -0.0522 0.5912 0.030 Uiso 1 1 calc R . .
C5 C 0.9703(4) -0.01225(14) 0.7074(4) 0.0232(10) Uani 1 1 d . . .
H5 H 1.0472 -0.0168 0.7159 0.028 Uiso 1 1 calc R . .
C6 C 0.9408(4) 0.01585(13) 0.7704(4) 0.0214(9) Uani 1 1 d . . .
H6 H 0.9981 0.0299 0.8211 0.026 Uiso 1 1 calc R . .
C7 C 0.9244(4) 0.07939(12) 0.9254(4) 0.0169(9) Uani 1 1 d . . .
C8 C 0.9771(4) 0.10382(14) 0.8688(4) 0.0237(10) Uani 1 1 d . . .
H8 H 0.9405 0.1103 0.7924 0.028 Uiso 1 1 calc R . .
C9 C 1.0845(4) 0.11839(15) 0.9271(4) 0.0276(11) Uani 1 1 d . . .
H9 H 1.1212 0.1339 0.8888 0.033 Uiso 1 1 calc R . .
C10 C 1.1366(4) 0.10978(15) 1.0420(4) 0.0274(11) Uani 1 1 d . . .
H10 H 1.2080 0.1197 1.0812 0.033 Uiso 1 1 calc R . .
C11 C 1.0830(4) 0.08653(15) 1.0982(4) 0.0294(11) Uani 1 1 d . . .
H11 H 1.1177 0.0812 1.1759 0.035 Uiso 1 1 calc R . .
C12 C 0.9776(4) 0.07104(14) 1.0397(4) 0.0223(10) Uani 1 1 d . . .
H12 H 0.9426 0.0549 1.0779 0.027 Uiso 1 1 calc R . .
C13 C 0.7423(4) 0.03226(12) 0.9491(4) 0.0163(8) Uani 1 1 d . . .
C14 C 0.7853(4) -0.00299(13) 0.9828(4) 0.0191(9) Uani 1 1 d . . .
H14 H 0.8422 -0.0125 0.9551 0.023 Uiso 1 1 calc R . .
C15 C 0.7448(4) -0.02400(13) 1.0568(4) 0.0208(9) Uani 1 1 d . . .
H15 H 0.7762 -0.0471 1.0804 0.025 Uiso 1 1 calc R . .
C16 C 0.6577(4) -0.01063(13) 1.0956(4) 0.0201(9) Uani 1 1 d . . .
H16 H 0.6295 -0.0250 1.1439 0.024 Uiso 1 1 calc R . .
C17 C 0.6122(4) 0.02412(13) 1.0629(4) 0.0191(9) Uani 1 1 d . . .
H17 H 0.5525 0.0329 1.0876 0.023 Uiso 1 1 calc R . .
C18 C 0.6569(4) 0.04571(12) 0.9928(4) 0.0166(9) Uani 1 1 d . . .
C19 C 0.5591(4) 0.10354(13) 1.0130(4) 0.0184(9) Uani 1 1 d . . .
C20 C 0.5794(4) 0.10066(14) 1.1313(4) 0.0220(9) Uani 1 1 d . . .
H20 H 0.6323 0.0837 1.1746 0.026 Uiso 1 1 calc R . .
C21 C 0.5196(5) 0.12346(14) 1.1839(4) 0.0254(11) Uani 1 1 d . . .
H21 H 0.5323 0.1216 1.2630 0.030 Uiso 1 1 calc R . .
C22 C 0.4414(4) 0.14896(14) 1.1206(4) 0.0240(10) Uani 1 1 d . . .
H22 H 0.3996 0.1635 1.1560 0.029 Uiso 1 1 calc R . .
C23 C 0.4262(4) 0.15254(13) 1.0038(4) 0.0207(9) Uani 1 1 d . . .
H23 H 0.3751 0.1701 0.9612 0.025 Uiso 1 1 calc R . .
C24 C 0.4861(4) 0.13021(12) 0.9487(4) 0.0165(9) Uani 1 1 d . . .
C25 C 0.4987(4) 0.18752(12) 0.7890(4) 0.0166(9) Uani 1 1 d . . .
C26 C 0.5645(4) 0.20773(13) 0.8834(4) 0.0209(9) Uani 1 1 d . . .
H26 H 0.5898 0.1967 0.9557 0.025 Uiso 1 1 calc R . .
C27 C 0.5927(4) 0.24426(14) 0.8705(5) 0.0251(10) Uani 1 1 d . . .
H27 H 0.6363 0.2575 0.9343 0.030 Uiso 1 1 calc R . .
C28 C 0.5564(5) 0.26102(14) 0.7635(5) 0.0289(11) Uani 1 1 d . . .
H28 H 0.5763 0.2854 0.7553 0.035 Uiso 1 1 calc R . .
C29 C 0.4903(5) 0.24137(14) 0.6683(4) 0.0258(11) Uani 1 1 d . . .
H29 H 0.4656 0.2526 0.5962 0.031 Uiso 1 1 calc R . .
C30 C 0.4614(4) 0.20502(13) 0.6811(4) 0.0197(9) Uani 1 1 d . . .
H30 H 0.4165 0.1920 0.6173 0.024 Uiso 1 1 calc R . .
C31 C 0.3217(4) 0.13268(13) 0.7291(4) 0.0182(9) Uani 1 1 d . . .
C32 C 0.2469(4) 0.16269(14) 0.7023(4) 0.0251(10) Uani 1 1 d . . .
H32 H 0.2751 0.1865 0.7197 0.030 Uiso 1 1 calc R . .
C33 C 0.1293(5) 0.15698(16) 0.6491(5) 0.0320(12) Uani 1 1 d . . .
H33 H 0.0796 0.1771 0.6308 0.038 Uiso 1 1 calc R . .
C34 C 0.0868(4) 0.12167(17) 0.6238(4) 0.0314(12) Uani 1 1 d . . .
H34 H 0.0091 0.1181 0.5854 0.038 Uiso 1 1 calc R . .
C35 C 0.1589(4) 0.09158(15) 0.6552(4) 0.0251(10) Uani 1 1 d . . .
H35 H 0.1295 0.0678 0.6413 0.030 Uiso 1 1 calc R . .
C36 C 0.2755(4) 0.09717(14) 0.7077(4) 0.0217(10) Uani 1 1 d . . .
H36 H 0.3239 0.0769 0.7291 0.026 Uiso 1 1 calc R . .
C37 C 0.4988(4) 0.13602(13) 0.5096(4) 0.0163(9) Uani 1 1 d . . .
C38 C 0.3970(4) 0.11703(14) 0.5019(4) 0.0214(9) Uani 1 1 d . . .
H38 H 0.3994 0.0960 0.5461 0.026 Uiso 1 1 calc R . .
C39 C 0.2931(4) 0.12946(15) 0.4290(4) 0.0258(10) Uani 1 1 d . . .
H39 H 0.2263 0.1163 0.4228 0.031 Uiso 1 1 calc R . .
C40 C 0.2879(4) 0.16121(15) 0.3654(4) 0.0270(11) Uani 1 1 d . . .
H40 H 0.2176 0.1698 0.3180 0.032 Uiso 1 1 calc R . .
C41 C 0.3880(4) 0.18038(14) 0.3725(4) 0.0237(10) Uani 1 1 d . . .
H41 H 0.3848 0.2018 0.3297 0.028 Uiso 1 1 calc R . .
C42 C 0.4922(4) 0.16755(13) 0.4430(4) 0.0186(9) Uani 1 1 d . . .
H42 H 0.5591 0.1802 0.4460 0.022 Uiso 1 1 calc R . .
C43 C 0.7306(4) 0.15764(12) 0.6024(4) 0.0158(8) Uani 1 1 d . . .
C44 C 0.7398(4) 0.18750(13) 0.6762(4) 0.0208(9) Uani 1 1 d . . .
H44 H 0.7035 0.1866 0.7328 0.025 Uiso 1 1 calc R . .
C45 C 0.8026(4) 0.21869(14) 0.6669(4) 0.0260(10) Uani 1 1 d . . .
H45 H 0.8087 0.2383 0.7177 0.031 Uiso 1 1 calc R . .
C46 C 0.8559(4) 0.22060(14) 0.5822(4) 0.0265(11) Uani 1 1 d . . .
H46 H 0.8983 0.2414 0.5764 0.032 Uiso 1 1 calc R . .
C47 C 0.8460(4) 0.19173(14) 0.5068(4) 0.0239(10) Uani 1 1 d . . .
H47 H 0.8819 0.1931 0.4499 0.029 Uiso 1 1 calc R . .
C48 C 0.7830(4) 0.16055(13) 0.5148(4) 0.0199(9) Uani 1 1 d . . .
H48 H 0.7753 0.1414 0.4619 0.024 Uiso 1 1 calc R . .
C49 C 0.6757(4) 0.08360(12) 0.5228(4) 0.0164(9) Uani 1 1 d . . .
C50 C 0.5941(4) 0.06395(13) 0.4379(4) 0.0193(9) Uani 1 1 d . . .
H50 H 0.5165 0.0688 0.4245 0.023 Uiso 1 1 calc R . .
C51 C 0.6271(4) 0.03731(13) 0.3734(4) 0.0219(10) Uani 1 1 d . . .
H51 H 0.5715 0.0241 0.3180 0.026 Uiso 1 1 calc R . .
C52 C 0.7418(4) 0.03020(13) 0.3905(4) 0.0231(10) Uani 1 1 d . . .
H52 H 0.7638 0.0129 0.3452 0.028 Uiso 1 1 calc R . .
C53 C 0.8241(4) 0.04923(13) 0.4765(4) 0.0214(10) Uani 1 1 d . . .
H53 H 0.9016 0.0444 0.4890 0.026 Uiso 1 1 calc R . .
C54 C 0.7917(4) 0.07507(13) 0.5431(4) 0.0191(9) Uani 1 1 d . . .
H54 H 0.8473 0.0870 0.6021 0.023 Uiso 1 1 calc R . .
Cl3 Cl 0.75516(14) 0.17862(4) 0.19274(13) 0.0417(3) Uani 1 1 d D . .
C55 C 0.8743(5) 0.15199(17) 0.1883(5) 0.0421(15) Uani 0.626(6) 1 d PD A 1
H55 H 0.8661 0.1435 0.1098 0.050 Uiso 0.626(6) 1 calc PR A 1
Cl4 Cl 0.9902(3) 0.18228(15) 0.2386(5) 0.0844(12) Uani 0.626(6) 1 d PD A 1
Cl5 Cl 0.8848(4) 0.11410(14) 0.2845(4) 0.0519(12) Uani 0.626(6) 1 d PD A 1
C55A C 0.8743(5) 0.15199(17) 0.1883(5) 0.0421(15) Uani 0.374(6) 1 d P A 2
H55A H 0.8477 0.1368 0.1185 0.050 Uiso 0.374(6) 1 calc PR A 2
Cl4A Cl 0.9879(6) 0.1799(3) 0.1713(8) 0.0844(12) Uani 0.374(6) 1 d PD A 2
Cl5A Cl 0.9312(7) 0.1210(3) 0.3034(7) 0.0519(12) Uani 0.374(6) 1 d PD A 2
Cl6 Cl 0.1815(2) 0.26557(9) 0.6166(2) 0.0992(9) Uani 1 1 d D . .
C56 C 0.1305(13) 0.2546(7) 0.4706(11) 0.059(5) Uani 0.263(4) 1 d PDU B 1
H56 H 0.1063 0.2287 0.4632 0.071 Uiso 0.263(4) 1 calc PR B 1
Cl7 Cl 0.0110(7) 0.2819(3) 0.4071(7) 0.052(2) Uani 0.263(4) 1 d PDU B 1
Cl8 Cl 0.2392(8) 0.2597(2) 0.4091(7) 0.0485(16) Uani 0.263(4) 1 d PD B 1
C56A C 0.0992(14) 0.2635(8) 0.4712(11) 0.059(5) Uani 0.237(4) 1 d PDU B 2
H56A H 0.0658 0.2387 0.4600 0.071 Uiso 0.237(4) 1 calc PR B 2
Cl7A Cl -0.0158(8) 0.2933(3) 0.4400(8) 0.052(2) Uani 0.237(4) 1 d PDU B 2
Cl8A Cl 0.1823(9) 0.2663(3) 0.3794(7) 0.0485(16) Uani 0.237(4) 1 d PD B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
O Ru1 P3 178.13(9) . . ?
O Ru1 P2 80.28(8) . . ?
P3 Ru1 P2 98.85(4) . . ?
O Ru1 P1 79.10(8) . . ?
P3 Ru1 P1 101.93(4) . . ?
P2 Ru1 P1 158.53(4) . . ?
O Ru1 Cl2 81.33(9) . . ?
P3 Ru1 Cl2 100.27(4) . . ?
P2 Ru1 Cl2 85.29(4) . . ?
P1 Ru1 Cl2 85.77(4) . . ?
O Ru1 Cl1 85.95(9) . . ?
P3 Ru1 Cl1 92.50(4) . . ?
P2 Ru1 Cl1 95.53(4) . . ?
P1 Ru1 Cl1 88.92(4) . . ?
Cl2 Ru1 Cl1 166.93(4) . . ?
C13 P1 C7 104.1(2) . . ?
C13 P1 C1 101.3(2) . . ?
C7 P1 C1 102.2(2) . . ?
C13 P1 Ru1 99.53(14) . . ?
C7 P1 Ru1 117.48(15) . . ?
C1 P1 Ru1 128.40(15) . . ?
C25 P2 C24 104.3(2) . . ?
C25 P2 C31 103.2(2) . . ?
C24 P2 C31 100.2(2) . . ?
C25 P2 Ru1 116.00(15) . . ?
C24 P2 Ru1 100.20(15) . . ?
C31 P2 Ru1 129.07(16) . . ?
C43 P3 C49 102.5(2) . . ?
C43 P3 C37 100.1(2) . . ?
C49 P3 C37 101.3(2) . . ?
C43 P3 Ru1 119.77(14) . . ?
C49 P3 Ru1 115.18(14) . . ?
C37 P3 Ru1 115.28(14) . . ?
C18 O C19 122.8(3) . . ?
C18 O Ru1 118.7(2) . . ?
C19 O Ru1 118.6(3) . . ?
C6 C1 C2 118.9(4) . . ?
C6 C1 P1 121.8(4) . . ?
C2 C1 P1 119.2(4) . . ?
C3 C2 C1 119.9(5) . . ?
C4 C3 C2 120.3(5) . . ?
C5 C4 C3 119.7(4) . . ?
C4 C5 C6 120.5(5) . . ?
C1 C6 C5 120.7(5) . . ?
C12 C7 C8 119.5(4) . . ?
C12 C7 P1 122.5(4) . . ?
C8 C7 P1 118.0(3) . . ?
C9 C8 C7 119.8(4) . . ?
C10 C9 C8 119.9(5) . . ?
C11 C10 C9 120.1(5) . . ?
C10 C11 C12 120.3(5) . . ?
C7 C12 C11 120.4(5) . . ?
C14 C13 C18 117.8(4) . . ?
C14 C13 P1 122.6(3) . . ?
C18 C13 P1 119.5(3) . . ?
C15 C14 C13 121.1(4) . . ?
C16 C15 C14 120.1(4) . . ?
C15 C16 C17 120.3(4) . . ?
C16 C17 C18 119.3(4) . . ?
C17 C18 O 122.8(4) . . ?
C17 C18 C13 121.4(4) . . ?
O C18 C13 115.5(4) . . ?
C24 C19 C20 121.1(4) . . ?
C24 C19 O 116.3(4) . . ?
C20 C19 O 122.6(4) . . ?
C21 C20 C19 119.0(4) . . ?
C22 C21 C20 120.9(4) . . ?
C21 C22 C23 119.2(4) . . ?
C22 C23 C24 121.1(4) . . ?
C19 C24 C23 118.5(4) . . ?
C19 C24 P2 120.4(3) . . ?
C23 C24 P2 121.0(3) . . ?
C26 C25 C30 118.4(4) . . ?
C26 C25 P2 121.9(3) . . ?
C30 C25 P2 119.2(3) . . ?
C27 C26 C25 120.6(4) . . ?
C28 C27 C26 120.5(5) . . ?
C27 C28 C29 119.9(5) . . ?
C30 C29 C28 119.7(5) . . ?
C29 C30 C25 121.0(5) . . ?
C32 C31 C36 118.4(4) . . ?
C32 C31 P2 122.5(4) . . ?
C36 C31 P2 119.0(4) . . ?
C31 C32 C33 120.0(5) . . ?
C34 C33 C32 120.2(5) . . ?
C33 C34 C35 120.4(5) . . ?
C34 C35 C36 119.5(5) . . ?
C35 C36 C31 121.3(5) . . ?
C42 C37 C38 118.4(4) . . ?
C42 C37 P3 122.3(3) . . ?
C38 C37 P3 119.3(3) . . ?
C39 C38 C37 120.4(5) . . ?
C40 C39 C38 120.4(5) . . ?
C39 C40 C41 119.8(5) . . ?
C42 C41 C40 119.9(5) . . ?
C41 C42 C37 121.1(4) . . ?
C44 C43 C48 117.9(4) . . ?
C44 C43 P3 118.8(3) . . ?
C48 C43 P3 122.8(3) . . ?
C43 C44 C45 121.1(4) . . ?
C46 C45 C44 120.1(5) . . ?
C47 C46 C45 119.8(5) . . ?
C46 C47 C48 120.6(4) . . ?
C47 C48 C43 120.5(4) . . ?
C50 C49 C54 118.4(4) . . ?
C50 C49 P3 122.2(3) . . ?
C54 C49 P3 119.4(3) . . ?
C51 C50 C49 120.7(4) . . ?
C52 C51 C50 120.5(5) . . ?
C51 C52 C53 119.3(4) . . ?
C54 C53 C52 120.5(5) . . ?
C53 C54 C49 120.5(4) . . ?
Cl4 C55 Cl3 103.7(4) . . ?
Cl4 C55 Cl5 111.5(4) . . ?
Cl3 C55 Cl5 107.1(3) . . ?
C56 Cl6 C56A 16.6(8) . . ?
Cl8 C56 Cl7 113.7(11) . . ?
Cl8 C56 Cl6 109.7(10) . . ?
Cl7 C56 Cl6 108.2(10) . . ?
Cl7A C56A Cl8A 115.1(11) . . ?
Cl7A C56A Cl6 111.9(10) . . ?
Cl8A C56A Cl6 112.5(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O 2.235(3) . ?
Ru1 P3 2.2562(11) . ?
Ru1 P2 2.3481(12) . ?
Ru1 P1 2.3556(12) . ?
Ru1 Cl2 2.3943(12) . ?
Ru1 Cl1 2.4086(11) . ?
P1 C13 1.833(4) . ?
P1 C7 1.836(5) . ?
P1 C1 1.843(5) . ?
P2 C25 1.821(5) . ?
P2 C24 1.830(4) . ?
P2 C31 1.835(5) . ?
P3 C43 1.833(5) . ?
P3 C49 1.836(4) . ?
P3 C37 1.849(5) . ?
O C18 1.399(5) . ?
O C19 1.407(5) . ?
C1 C6 1.377(7) . ?
C1 C2 1.400(7) . ?
C2 C3 1.389(7) . ?
C3 C4 1.385(7) . ?
C4 C5 1.369(7) . ?
C5 C6 1.390(7) . ?
C7 C12 1.377(6) . ?
C7 C8 1.397(6) . ?
C8 C9 1.392(7) . ?
C9 C10 1.383(7) . ?
C10 C11 1.374(7) . ?
C11 C12 1.387(7) . ?
C13 C14 1.394(6) . ?
C13 C18 1.400(6) . ?
C14 C15 1.385(6) . ?
C15 C16 1.382(7) . ?
C16 C17 1.385(7) . ?
C17 C18 1.390(6) . ?
C19 C24 1.384(6) . ?
C19 C20 1.390(6) . ?
C20 C21 1.385(7) . ?
C21 C22 1.382(7) . ?
C22 C23 1.384(6) . ?
C23 C24 1.396(6) . ?
C25 C26 1.391(6) . ?
C25 C30 1.403(6) . ?
C26 C27 1.389(7) . ?
C27 C28 1.381(7) . ?
C28 C29 1.389(8) . ?
C29 C30 1.385(7) . ?
C31 C32 1.394(7) . ?
C31 C36 1.397(7) . ?
C32 C33 1.401(7) . ?
C33 C34 1.379(8) . ?
C34 C35 1.381(8) . ?
C35 C36 1.388(7) . ?
C37 C42 1.389(6) . ?
C37 C38 1.402(6) . ?
C38 C39 1.384(7) . ?
C39 C40 1.377(7) . ?
C40 C41 1.389(7) . ?
C41 C42 1.381(7) . ?
C43 C44 1.389(6) . ?
C43 C48 1.410(6) . ?
C44 C45 1.391(7) . ?
C45 C46 1.384(7) . ?
C46 C47 1.373(7) . ?
C47 C48 1.388(7) . ?
C49 C50 1.391(6) . ?
C49 C54 1.400(6) . ?
C50 C51 1.382(6) . ?
C51 C52 1.380(7) . ?
C52 C53 1.391(7) . ?
C53 C54 1.376(6) . ?
Cl3 C55 1.764(7) . ?
C55 Cl4 1.749(7) . ?
C55 Cl5 1.783(7) . ?
Cl6 C56 1.740(14) . ?
Cl6 C56A 1.748(14) . ?
C56 Cl8 1.729(14) . ?
C56 Cl7 1.738(14) . ?
C56A Cl7A 1.721(14) . ?
C56A Cl8A 1.733(14) . ?
