#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/82/4068215.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_4068215
loop_
_publ_author_name
'Adams, Richard D.'
'Kan, Yuwei'
'Zhang, Qiang'
'Hall, Michael B.'
'Trufan, Eszter'
_publ_section_title
;
 Bonding and Reactivity in the Electronically Unsaturated Hydrogen-Bridged
 Dimer [Ru3(CO)8(μ3-CMe)(μ-H)2(μ3-H)]2
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              50
_journal_paper_doi               10.1021/om2012375
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C34.5 H29 Cl O7 P2 Ru3'
_chemical_formula_weight         956.18
_chemical_name_systematic
; 
 ? 
;
_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                 102.7540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1576(5)
_cell_length_b                   12.4972(5)
_cell_length_c                   24.5708(10)
_cell_measurement_reflns_used    7103
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.35
_cell_volume                     3641.1(3)
_computing_cell_refinement       'SAINT+  V6.45 (Bruker, 2003)'
_computing_data_collection       'SMART V5.632 (Bruker, 2005)'
_computing_data_reduction        'SAINT+  V6.45'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38858
_diffrn_reflns_theta_full        23.82
_diffrn_reflns_theta_max         23.82
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.435
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.983
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0518P)²+7.2232P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                4917
_reflns_number_total             5584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2012375_si_002.cif
_cod_data_source_block           4
_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.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C34.50 H29 Cl O7 P2 Ru3'
_cod_database_code               4068215
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
Ru1 Ru 0.17625(3) 0.38848(3) 0.877364(16) 0.03896(13) Uani 1 1 d .
Ru2 Ru 0.33902(3) 0.22348(3) 0.875475(15) 0.03850(13) Uani 1 1 d .
Ru3 Ru 0.31279(4) 0.39569(3) 0.797425(18) 0.04912(15) Uani 1 1 d .
P1 P 0.06192(10) 0.27581(9) 0.91464(5) 0.0373(3) Uani 1 1 d .
P2 P 0.23839(10) 0.09980(9) 0.91555(5) 0.0366(3) Uani 1 1 d .
H1 H 0.293(4) 0.331(4) 0.917(2) 0.067(16) Uiso 1 1 d .
H2 H 0.271(4) 0.476(4) 0.851(2) 0.054(14) Uiso 1 1 d .
H3 H 0.418(5) 0.341(5) 0.853(3) 0.09(2) Uiso 1 1 d .
C4 C 0.2006(4) 0.2806(4) 0.81721(19) 0.0410(11) Uani 1 1 d .
C5 C 0.1185(5) 0.2238(4) 0.7714(2) 0.0543(13) Uani 1 1 d .
H5A H 0.0661 0.1834 0.7872 0.081 Uiso 1 1 calc R
H5B H 0.1589 0.1763 0.7521 0.081 Uiso 1 1 calc R
H5C H 0.0781 0.2755 0.7456 0.081 Uiso 1 1 calc R
C6 C 0.0883(4) 0.1345(4) 0.90265(19) 0.0387(10) Uani 1 1 d .
H6A H 0.0531 0.1167 0.8643 0.046 Uiso 1 1 calc R
H6B H 0.0528 0.0913 0.9267 0.046 Uiso 1 1 calc R
C11 C 0.1967(5) 0.4965(4) 0.9363(2) 0.0537(13) Uani 1 1 d .
C12 C 0.0511(5) 0.4565(5) 0.8319(2) 0.0559(14) Uani 1 1 d .
C21 C 0.4832(4) 0.2182(4) 0.9276(2) 0.0503(13) Uani 1 1 d .
C22 C 0.3809(5) 0.1206(4) 0.8284(2) 0.0552(14) Uani 1 1 d .
C31 C 0.3654(6) 0.3154(5) 0.7425(3) 0.0715(18) Uani 1 1 d .
C32 C 0.4276(6) 0.5109(5) 0.8079(3) 0.0767(19) Uani 1 1 d .
C33 C 0.1969(5) 0.4577(5) 0.7412(3) 0.0637(16) Uani 1 1 d .
C34 C -0.0891(4) 0.2935(4) 0.8857(2) 0.0448(11) Uani 1 1 d .
C35 C -0.1493(5) 0.2306(5) 0.8435(2) 0.0579(14) Uani 1 1 d .
H35 H -0.1137 0.1731 0.8306 0.069 Uiso 1 1 calc R
C36 C -0.2611(5) 0.2505(6) 0.8199(3) 0.0736(18) Uani 1 1 d .
H36 H -0.3004 0.2072 0.7914 0.088 Uiso 1 1 calc R
C37 C -0.3135(6) 0.3348(7) 0.8390(3) 0.088(2) Uani 1 1 d .
H37 H -0.3893 0.3483 0.8238 0.105 Uiso 1 1 calc R
C38 C -0.2545(6) 0.3992(7) 0.8803(4) 0.099(3) Uani 1 1 d .
H38 H -0.2903 0.4573 0.8925 0.119 Uiso 1 1 calc R
C39 C -0.1441(5) 0.3793(6) 0.9037(3) 0.081(2) Uani 1 1 d .
H39 H -0.1053 0.4235 0.9320 0.097 Uiso 1 1 calc R
C40 C 0.0706(4) 0.2773(4) 0.9899(2) 0.0461(12) Uani 1 1 d .
C41 C -0.0152(5) 0.2367(5) 1.0126(2) 0.0616(15) Uani 1 1 d .
H41 H -0.0809 0.2120 0.9890 0.074 Uiso 1 1 calc R
C42 C -0.0047(7) 0.2323(6) 1.0698(3) 0.086(2) Uani 1 1 d .
H42 H -0.0636 0.2060 1.0846 0.104 Uiso 1 1 calc R
C43 C 0.0926(7) 0.2669(6) 1.1045(3) 0.086(2) Uani 1 1 d .
H43 H 0.1000 0.2640 1.1429 0.103 Uiso 1 1 calc R
C44 C 0.1791(6) 0.3055(6) 1.0830(3) 0.0793(19) Uani 1 1 d .
H44 H 0.2455 0.3281 1.1069 0.095 Uiso 1 1 calc R
C45 C 0.1682(5) 0.3109(5) 1.0261(2) 0.0583(14) Uani 1 1 d .
H45 H 0.2274 0.3377 1.0119 0.070 Uiso 1 1 calc R
C46 C 0.2354(4) -0.0364(4) 0.8877(2) 0.0447(11) Uani 1 1 d .
C47 C 0.2962(5) -0.1182(4) 0.9175(3) 0.0607(15) Uani 1 1 d .
H47 H 0.3366 -0.1056 0.9537 0.073 Uiso 1 1 calc R
C48 C 0.2982(6) -0.2193(5) 0.8945(3) 0.0743(18) Uani 1 1 d .
H48 H 0.3400 -0.2737 0.9153 0.089 Uiso 1 1 calc R
C49 C 0.2404(6) -0.2390(5) 0.8426(3) 0.0750(19) Uani 1 1 d .
H49 H 0.2416 -0.3072 0.8275 0.090 Uiso 1 1 calc R
C50 C 0.1792(6) -0.1592(5) 0.8114(3) 0.0743(18) Uani 1 1 d .
H50 H 0.1392 -0.1730 0.7752 0.089 Uiso 1 1 calc R
C51 C 0.1776(5) -0.0591(5) 0.8339(2) 0.0586(14) Uani 1 1 d .
H51 H 0.1366 -0.0050 0.8125 0.070 Uiso 1 1 calc R
C52 C 0.2736(4) 0.0756(4) 0.9912(2) 0.0443(11) Uani 1 1 d .
C53 C 0.3700(5) 0.1137(5) 1.0248(2) 0.0686(18) Uani 1 1 d .
H53 H 0.4179 0.1566 1.0095 0.082 Uiso 1 1 calc R
C54 C 0.3988(6) 0.0897(6) 1.0821(2) 0.081(2) Uani 1 1 d .
H54 H 0.4657 0.1150 1.1044 0.098 Uiso 1 1 calc R
C55 C 0.3268(6) 0.0288(6) 1.1043(2) 0.0716(17) Uani 1 1 d .
H55 H 0.3451 0.0118 1.1421 0.086 Uiso 1 1 calc R
C56 C 0.2291(6) -0.0071(6) 1.0721(3) 0.0775(19) Uani 1 1 d .
H56 H 0.1793 -0.0463 1.0881 0.093 Uiso 1 1 calc R
C57 C 0.2029(5) 0.0141(5) 1.0157(2) 0.0636(16) Uani 1 1 d .
H57 H 0.1367 -0.0133 0.9936 0.076 Uiso 1 1 calc R
O11 O 0.2077(5) 0.5622(4) 0.9681(2) 0.0884(14) Uani 1 1 d .
O12 O -0.0233(4) 0.4978(4) 0.8038(2) 0.0918(16) Uani 1 1 d .
O21 O 0.5737(4) 0.2178(4) 0.9534(2) 0.0875(15) Uani 1 1 d .
O22 O 0.4052(5) 0.0569(4) 0.7997(2) 0.0922(15) Uani 1 1 d .
O31 O 0.3950(6) 0.2693(5) 0.7097(2) 0.122(2) Uani 1 1 d .
O32 O 0.4903(6) 0.5765(5) 0.8134(3) 0.134(3) Uani 1 1 d .
O33 O 0.1268(5) 0.4904(4) 0.7083(2) 0.0989(17) Uani 1 1 d .
C1S C 0.5123 0.4348 0.9748 0.215 Uani 0.50 1 d P
H1S1 H 0.5827 0.3967 0.9771 0.258 Uiso 0.50 1 calc PR
H1S2 H 0.4552 0.4026 0.9456 0.258 Uiso 0.50 1 calc PR
Cl1S Cl 0.5298 0.5736 0.9594 0.188 Uani 1 1 d .
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'
Ru Ru -1.2594 0.8363 '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'
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
C12 Ru1 C11 94.7(2) . .
C12 Ru1 C4 95.4(2) . .
C11 Ru1 C4 164.6(2) . .
C12 Ru1 P1 91.85(18) . .
C11 Ru1 P1 96.69(16) . .
C4 Ru1 P1 94.56(14) . .
C12 Ru1 Ru3 95.42(16) . .
C11 Ru1 Ru3 119.51(16) . .
C4 Ru1 Ru3 47.86(13) . .
P1 Ru1 Ru3 142.19(3) . .
C12 Ru1 Ru2 141.88(17) . .
C11 Ru1 Ru2 122.25(16) . .
C4 Ru1 Ru2 46.49(13) . .
P1 Ru1 Ru2 92.64(3) . .
Ru3 Ru1 Ru2 60.019(13) . .
C12 Ru1 H1 177.3(19) . .
C11 Ru1 H1 85.1(19) . .
C4 Ru1 H1 84.3(18) . .
P1 Ru1 H1 90.9(18) . .
Ru3 Ru1 H1 82.3(18) . .
Ru2 Ru1 H1 37.8(18) . .
C12 Ru1 H2 90.4(16) . .
C11 Ru1 H2 82.2(16) . .
C4 Ru1 H2 86.2(16) . .
P1 Ru1 H2 177.5(16) . .
Ru3 Ru1 H2 38.4(16) . .
Ru2 Ru1 H2 86.2(16) . .
H1 Ru1 H2 87(2) . .
C22 Ru2 C21 93.2(2) . .
C22 Ru2 C4 95.7(2) . .
C21 Ru2 C4 161.2(2) . .
C22 Ru2 P2 92.62(17) . .
C21 Ru2 P2 100.50(15) . .
C4 Ru2 P2 95.64(14) . .
C22 Ru2 Ru3 96.18(16) . .
C21 Ru2 Ru3 114.97(15) . .
C4 Ru2 Ru3 47.57(13) . .
P2 Ru2 Ru3 142.77(3) . .
C22 Ru2 Ru1 141.86(18) . .
C21 Ru2 Ru1 122.90(17) . .
C4 Ru2 Ru1 46.18(13) . .
P2 Ru2 Ru1 92.39(3) . .
Ru3 Ru2 Ru1 59.534(13) . .
C22 Ru2 H1 175.7(17) . .
C21 Ru2 H1 89.8(17) . .
C4 Ru2 H1 80.5(17) . .
P2 Ru2 H1 89.9(17) . .
Ru3 Ru2 H1 79.7(17) . .
Ru1 Ru2 H1 34.4(17) . .
C22 Ru2 H3 97.3(19) . .
C21 Ru2 H3 77.2(19) . .
C4 Ru2 H3 85.3(19) . .
P2 Ru2 H3 169.9(19) . .
Ru3 Ru2 H3 37.8(18) . .
Ru1 Ru2 H3 81.0(19) . .
H1 Ru2 H3 80(3) . .
C31 Ru3 C33 90.7(3) . .
C31 Ru3 C32 98.0(3) . .
C33 Ru3 C32 100.7(3) . .
C31 Ru3 C4 98.0(2) . .
C33 Ru3 C4 91.8(2) . .
C32 Ru3 C4 159.5(2) . .
C31 Ru3 Ru1 144.4(2) . .
C33 Ru3 Ru1 93.56(17) . .
C32 Ru3 Ru1 115.8(2) . .
C4 Ru3 Ru1 46.61(13) . .
C31 Ru3 Ru2 94.21(18) . .
C33 Ru3 Ru2 138.45(19) . .
C32 Ru3 Ru2 119.3(2) . .
C4 Ru3 Ru2 46.65(13) . .
Ru1 Ru3 Ru2 60.447(13) . .
C31 Ru3 H2 176.5(16) . .
C33 Ru3 H2 91.0(16) . .
C32 Ru3 H2 78.7(16) . .
C4 Ru3 H2 85.0(16) . .
Ru1 Ru3 H2 38.4(16) . .
Ru2 Ru3 H2 86.6(16) . .
C31 Ru3 H3 93(2) . .
C33 Ru3 H3 177(2) . .
C32 Ru3 H3 79(2) . .
C4 Ru3 H3 87(2) . .
Ru1 Ru3 H3 83.5(19) . .
Ru2 Ru3 H3 41(2) . .
H2 Ru3 H3 86(3) . .
C40 P1 C34 102.7(2) . .
C40 P1 C6 101.5(2) . .
C34 P1 C6 104.5(2) . .
C40 P1 Ru1 119.34(17) . .
C34 P1 Ru1 114.40(16) . .
C6 P1 Ru1 112.52(15) . .
C46 P2 C6 102.6(2) . .
C46 P2 C52 101.9(2) . .
C6 P2 C52 102.4(2) . .
C46 P2 Ru2 115.43(16) . .
C6 P2 Ru2 111.52(15) . .
C52 P2 Ru2 120.79(17) . .
C5 C4 Ru1 131.7(4) . .
C5 C4 Ru2 130.9(3) . .
Ru1 C4 Ru2 87.34(18) . .
C5 C4 Ru3 120.2(3) . .
Ru1 C4 Ru3 85.53(18) . .
Ru2 C4 Ru3 85.78(18) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
P1 C6 P2 113.8(2) . .
P1 C6 H6A 108.8 . .
P2 C6 H6A 108.8 . .
P1 C6 H6B 108.8 . .
P2 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
O11 C11 Ru1 176.5(5) . .
O12 C12 Ru1 178.8(5) . .
O21 C21 Ru2 172.2(5) . .
O22 C22 Ru2 179.1(6) . .
O31 C31 Ru3 178.8(6) . .
O32 C32 Ru3 178.7(8) . .
O33 C33 Ru3 177.4(6) . .
C35 C34 C39 117.9(5) . .
C35 C34 P1 123.0(4) . .
C39 C34 P1 118.9(4) . .
C36 C35 C34 121.6(6) . .
C36 C35 H35 119.2 . .
C34 C35 H35 119.2 . .
C37 C36 C35 119.2(6) . .
C37 C36 H36 120.4 . .
C35 C36 H36 120.4 . .
C36 C37 C38 120.0(6) . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
C39 C38 C37 120.8(7) . .
C39 C38 H38 119.6 . .
C37 C38 H38 119.6 . .
C38 C39 C34 120.4(7) . .
C38 C39 H39 119.8 . .
C34 C39 H39 119.8 . .
C45 C40 C41 117.9(5) . .
C45 C40 P1 120.3(4) . .
C41 C40 P1 121.5(4) . .
C40 C41 C42 121.0(6) . .
C40 C41 H41 119.5 . .
C42 C41 H41 119.5 . .
C43 C42 C41 119.5(6) . .
C43 C42 H42 120.3 . .
C41 C42 H42 120.3 . .
C44 C43 C42 120.5(6) . .
C44 C43 H43 119.8 . .
C42 C43 H43 119.8 . .
C43 C44 C45 120.0(7) . .
C43 C44 H44 120.0 . .
C45 C44 H44 120.0 . .
C44 C45 C40 121.1(6) . .
C44 C45 H45 119.5 . .
C40 C45 H45 119.5 . .
C47 C46 C51 117.2(5) . .
C47 C46 P2 121.9(4) . .
C51 C46 P2 120.8(4) . .
C46 C47 C48 121.0(6) . .
C46 C47 H47 119.5 . .
C48 C47 H47 119.5 . .
C49 C48 C47 120.3(6) . .
C49 C48 H48 119.8 . .
C47 C48 H48 119.8 . .
C48 C49 C50 120.4(6) . .
C48 C49 H49 119.8 . .
C50 C49 H49 119.8 . .
C51 C50 C49 119.5(6) . .
C51 C50 H50 120.3 . .
C49 C50 H50 120.3 . .
C50 C51 C46 121.6(6) . .
C50 C51 H51 119.2 . .
C46 C51 H51 119.2 . .
C53 C52 C57 117.6(5) . .
C53 C52 P2 122.2(4) . .
C57 C52 P2 120.1(4) . .
C52 C53 C54 121.6(6) . .
C52 C53 H53 119.2 . .
C54 C53 H53 119.2 . .
C55 C54 C53 118.7(6) . .
C55 C54 H54 120.7 . .
C53 C54 H54 120.7 . .
C56 C55 C54 120.8(6) . .
C56 C55 H55 119.6 . .
C54 C55 H55 119.6 . .
C55 C56 C57 120.2(6) . .
C55 C56 H56 119.9 . .
C57 C56 H56 119.9 . .
C56 C57 C52 121.1(6) . .
C56 C57 H57 119.5 . .
C52 C57 H57 119.5 . .
Cl1S C1S Cl1S 108.4 . 3_667
Cl1S C1S H1S1 110.0 . .
Cl1S C1S H1S1 110.0 3_667 .
Cl1S C1S H1S2 110.0 . .
Cl1S C1S H1S2 110.0 3_667 .
H1S1 C1S H1S2 108.4 . .
C1S Cl1S C1S 71.6 . 3_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C12 1.880(6) .
Ru1 C11 1.956(6) .
Ru1 C4 2.070(5) .
Ru1 P1 2.3056(13) .
Ru1 Ru3 2.8392(5) .
Ru1 Ru2 2.8655(5) .
Ru1 H1 1.70(5) .
Ru1 H2 1.81(5) .
Ru2 C22 1.874(6) .
Ru2 C21 1.930(5) .
Ru2 C4 2.080(5) .
Ru2 P2 2.3210(12) .
Ru2 Ru3 2.8533(5) .
Ru2 H1 1.84(5) .
Ru2 H3 1.90(6) .
Ru3 C31 1.902(6) .
Ru3 C33 1.906(6) .
Ru3 C32 1.983(8) .
Ru3 C4 2.112(5) .
Ru3 H2 1.81(5) .
Ru3 H3 1.79(6) .
P1 C40 1.828(5) .
P1 C34 1.830(5) .
P1 C6 1.830(5) .
P2 C46 1.831(5) .
P2 C6 1.834(5) .
P2 C52 1.838(5) .
C4 C5 1.507(7) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C11 O11 1.120(6) .
C12 O12 1.134(6) .
C21 O21 1.141(6) .
C22 O22 1.145(6) .
C31 O31 1.114(7) .
C32 O32 1.107(8) .
C33 O33 1.116(7) .
C34 C35 1.377(7) .
C34 C39 1.386(8) .
C35 C36 1.377(8) .
C35 H35 0.9300 .
C36 C37 1.365(10) .
C36 H36 0.9300 .
C37 C38 1.368(10) .
C37 H37 0.9300 .
C38 C39 1.362(9) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 C45 1.382(8) .
C40 C41 1.383(7) .
C41 C42 1.386(8) .
C41 H41 0.9300 .
C42 C43 1.366(10) .
C42 H42 0.9300 .
C43 C44 1.364(10) .
C43 H43 0.9300 .
C44 C45 1.376(8) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 C47 1.375(7) .
C46 C51 1.382(7) .
C47 C48 1.387(8) .
C47 H47 0.9300 .
C48 C49 1.336(9) .
C48 H48 0.9300 .
C49 C50 1.373(9) .
C49 H49 0.9300 .
C50 C51 1.371(8) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C53 1.363(8) .
C52 C57 1.385(7) .
C53 C54 1.405(8) .
C53 H53 0.9300 .
C54 C55 1.362(9) .
C54 H54 0.9300 .
C55 C56 1.350(9) .
C55 H55 0.9300 .
C56 C57 1.380(8) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C1S Cl1S 1.7978 .
C1S Cl1S 1.8020 3_667
C1S H1S1 0.9700 .
C1S H1S2 0.9700 .
Cl1S C1S 1.8021 3_667
