#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/99/4069951.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_4069951
loop_
_publ_author_name
'Tse, Sunny Kai San'
'Guo, Tongxun'
'Sung, Herman Ho-Yung'
'Williams, Ian Duncan'
'Lin, Zhenyang'
'Jia, Guochen'
_publ_section_title
;
 Synthesis of Monosubstituted Cyclopentadienyl Ruthenium Complexes from
 the Reactions of 6-Substituted Fulvenes with RuHCl(PPh3)3
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5529
_journal_paper_doi               10.1021/om900527v
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C59.5 H48 Cl4 P2 Ru'
_chemical_formula_weight         1067.79
_chemical_name_systematic
; 
 ? 
;
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.0960(10)
_cell_angle_beta                 107.4580(10)
_cell_angle_gamma                95.1120(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7631(11)
_cell_length_b                   14.3743(14)
_cell_length_c                   15.1703(14)
_cell_measurement_reflns_used    5733
_cell_measurement_temperature    100(2)
_cell_volume                     2431.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.986
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25037
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.649
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1094
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.840
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         9420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0393
_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)+(0.0545P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0943
_reflns_number_gt                7582
_reflns_number_total             9420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900527v_si_001.cif
_cod_data_source_block           tse14_complex4
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C59.50 H48 Cl4 P2 Ru'
_cod_database_code               4069951
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
Ru1 Ru 0.333665(19) 0.303094(15) 0.617560(15) 0.01500(7) Uani 1 1 d .
Cl1 Cl 0.37988(6) 0.14755(4) 0.66856(5) 0.01970(15) Uani 1 1 d .
P1 P 0.52953(6) 0.36418(5) 0.68722(5) 0.01742(16) Uani 1 1 d .
P2 P 0.25201(6) 0.33298(5) 0.73587(5) 0.01706(15) Uani 1 1 d .
C1 C 0.2213(3) 0.2360(2) 0.47689(19) 0.0215(6) Uani 1 1 d .
C2 C 0.3313(3) 0.2835(2) 0.47152(19) 0.0217(6) Uani 1 1 d .
H2A H 0.3929 0.2548 0.4494 0.026 Uiso 1 1 calc R
C3 C 0.3332(3) 0.3799(2) 0.49699(19) 0.0227(6) Uani 1 1 d .
H3A H 0.3955 0.4308 0.4941 0.027 Uiso 1 1 calc R
C4 C 0.2275(3) 0.3927(2) 0.5212(2) 0.0237(6) Uani 1 1 d .
H4A H 0.2018 0.4539 0.5374 0.028 Uiso 1 1 calc R
C5 C 0.1579(3) 0.3031(2) 0.50722(19) 0.0217(6) Uani 1 1 d .
H5A H 0.0771 0.2906 0.5160 0.026 Uiso 1 1 calc R
C6 C 0.1829(3) 0.1331(2) 0.4530(2) 0.0254(7) Uani 1 1 d .
H6A H 0.0945 0.1230 0.4283 0.031 Uiso 1 1 calc R
H6B H 0.2082 0.0987 0.5098 0.031 Uiso 1 1 calc R
C7 C 0.2366(3) 0.0948(2) 0.3821(2) 0.0310(7) Uani 1 1 d .
C8 C 0.3434(3) 0.0541(2) 0.4117(2) 0.0341(8) Uani 1 1 d .
H8A H 0.3782 0.0473 0.4760 0.041 Uiso 1 1 calc R
C9 C 0.4004(3) 0.0233(2) 0.3506(2) 0.0349(8) Uani 1 1 d .
H9A H 0.4726 -0.0050 0.3736 0.042 Uiso 1 1 calc R
C10 C 0.3551(3) 0.0325(2) 0.2573(2) 0.0299(7) Uani 1 1 d .
C11 C 0.2420(3) 0.0738(2) 0.2234(2) 0.0287(7) Uani 1 1 d .
C12 C 0.1876(3) 0.1047(2) 0.2881(2) 0.0250(7) Uani 1 1 d .
C13 C 0.0764(3) 0.1493(2) 0.2508(2) 0.0352(8) Uani 1 1 d .
H13A H 0.0370 0.1723 0.2920 0.042 Uiso 1 1 calc R
C14 C 0.0298(3) 0.1580(2) 0.1594(2) 0.0403(9) Uani 1 1 d .
H14A H -0.0430 0.1858 0.1377 0.048 Uiso 1 1 calc R
C15 C 0.0858(3) 0.1269(2) 0.0938(3) 0.0376(8) Uani 1 1 d .
C16 C 0.1948(3) 0.0838(2) 0.1271(2) 0.0317(7) Uani 1 1 d .
C17 C 0.0408(3) 0.1362(3) -0.0007(3) 0.0496(10) Uani 1 1 d .
H17A H -0.0312 0.1646 -0.0239 0.060 Uiso 1 1 calc R
C18 C 0.0975(3) 0.1052(3) -0.0623(3) 0.0473(10) Uani 1 1 d .
H18A H 0.0639 0.1118 -0.1267 0.057 Uiso 1 1 calc R
C19 C 0.2035(4) 0.0646(3) -0.0298(3) 0.0465(9) Uani 1 1 d .
H19A H 0.2431 0.0440 -0.0720 0.056 Uiso 1 1 calc R
C20 C 0.2513(3) 0.0541(2) 0.0627(2) 0.0326(7) Uani 1 1 d .
C21 C 0.3650(3) 0.0139(2) 0.1001(3) 0.0406(9) Uani 1 1 d .
H21A H 0.4069 -0.0055 0.0592 0.049 Uiso 1 1 calc R
C22 C 0.4103(3) 0.0043(2) 0.1898(2) 0.0364(8) Uani 1 1 d .
H22A H 0.4837 -0.0229 0.2107 0.044 Uiso 1 1 calc R
C23 C 0.6253(2) 0.3279(2) 0.61711(19) 0.0203(6) Uani 1 1 d .
C24 C 0.6099(3) 0.2352(2) 0.5824(2) 0.0251(6) Uani 1 1 d .
H24A H 0.5535 0.1921 0.5972 0.030 Uiso 1 1 calc R
C25 C 0.6749(3) 0.2043(2) 0.5266(2) 0.0278(7) Uani 1 1 d .
H25A H 0.6631 0.1406 0.5039 0.033 Uiso 1 1 calc R
C26 C 0.7571(3) 0.2665(2) 0.5041(2) 0.0288(7) Uani 1 1 d .
H26A H 0.8019 0.2458 0.4658 0.035 Uiso 1 1 calc R
C27 C 0.7735(3) 0.3585(2) 0.5377(2) 0.0262(7) Uani 1 1 d .
H27A H 0.8305 0.4011 0.5229 0.031 Uiso 1 1 calc R
C28 C 0.7077(2) 0.3900(2) 0.5930(2) 0.0230(6) Uani 1 1 d .
H28A H 0.7189 0.4540 0.6145 0.028 Uiso 1 1 calc R
C29 C 0.5637(3) 0.49246(19) 0.70068(19) 0.0205(6) Uani 1 1 d .
C30 C 0.6800(3) 0.5344(2) 0.7474(2) 0.0262(7) Uani 1 1 d .
H30A H 0.7425 0.4963 0.7720 0.031 Uiso 1 1 calc R
C31 C 0.7038(3) 0.6308(2) 0.7578(2) 0.0322(8) Uani 1 1 d .
H31A H 0.7830 0.6586 0.7882 0.039 Uiso 1 1 calc R
C32 C 0.6125(3) 0.6871(2) 0.7241(2) 0.0341(8) Uani 1 1 d .
H32A H 0.6286 0.7533 0.7327 0.041 Uiso 1 1 calc R
C33 C 0.4987(3) 0.6468(2) 0.6781(2) 0.0292(7) Uani 1 1 d .
H33A H 0.4364 0.6852 0.6542 0.035 Uiso 1 1 calc R
C34 C 0.4745(3) 0.5498(2) 0.6665(2) 0.0238(6) Uani 1 1 d .
H34A H 0.3954 0.5226 0.6347 0.029 Uiso 1 1 calc R
C35 C 0.6101(2) 0.3334(2) 0.80427(19) 0.0197(6) Uani 1 1 d .
C36 C 0.6581(2) 0.2480(2) 0.8196(2) 0.0227(6) Uani 1 1 d .
H36A H 0.6507 0.2050 0.7687 0.027 Uiso 1 1 calc R
C37 C 0.7166(3) 0.2255(2) 0.9090(2) 0.0277(7) Uani 1 1 d .
H37A H 0.7494 0.1673 0.9187 0.033 Uiso 1 1 calc R
C38 C 0.7273(3) 0.2872(2) 0.9840(2) 0.0300(7) Uani 1 1 d .
H38A H 0.7694 0.2725 1.0450 0.036 Uiso 1 1 calc R
C39 C 0.6760(3) 0.3706(2) 0.9694(2) 0.0312(7) Uani 1 1 d .
H39A H 0.6811 0.4124 1.0207 0.037 Uiso 1 1 calc R
C40 C 0.6178(3) 0.3933(2) 0.8810(2) 0.0241(6) Uani 1 1 d .
H40A H 0.5823 0.4504 0.8720 0.029 Uiso 1 1 calc R
C41 C 0.2062(3) 0.4521(2) 0.73421(19) 0.0213(6) Uani 1 1 d .
C42 C 0.2875(3) 0.5271(2) 0.7820(2) 0.0232(6) Uani 1 1 d .
H42A H 0.3645 0.5157 0.8204 0.028 Uiso 1 1 calc R
C43 C 0.2569(3) 0.6183(2) 0.7739(2) 0.0287(7) Uani 1 1 d .
H43A H 0.3132 0.6688 0.8067 0.034 Uiso 1 1 calc R
C44 C 0.1456(3) 0.6362(2) 0.7186(2) 0.0374(8) Uani 1 1 d .
H44A H 0.1248 0.6986 0.7139 0.045 Uiso 1 1 calc R
C45 C 0.0645(3) 0.5626(2) 0.6702(2) 0.0393(8) Uani 1 1 d .
H45A H -0.0120 0.5746 0.6315 0.047 Uiso 1 1 calc R
C46 C 0.0947(3) 0.4707(2) 0.6781(2) 0.0306(7) Uani 1 1 d .
H46A H 0.0383 0.4205 0.6447 0.037 Uiso 1 1 calc R
C47 C 0.1104(2) 0.2605(2) 0.7225(2) 0.0224(6) Uani 1 1 d .
C48 C 0.0294(3) 0.2880(2) 0.7676(2) 0.0329(8) Uani 1 1 d .
H48A H 0.0475 0.3452 0.8048 0.039 Uiso 1 1 calc R
C49 C -0.0766(3) 0.2328(2) 0.7586(3) 0.0371(8) Uani 1 1 d .
H49A H -0.1315 0.2532 0.7882 0.045 Uiso 1 1 calc R
C50 C -0.1031(3) 0.1480(2) 0.7066(2) 0.0312(7) Uani 1 1 d .
H50A H -0.1755 0.1098 0.7011 0.037 Uiso 1 1 calc R
C51 C -0.0239(3) 0.1194(2) 0.6629(2) 0.0267(7) Uani 1 1 d .
H51A H -0.0413 0.0610 0.6278 0.032 Uiso 1 1 calc R
C52 C 0.0818(2) 0.17583(19) 0.6701(2) 0.0206(6) Uani 1 1 d .
H52A H 0.1350 0.1559 0.6386 0.025 Uiso 1 1 calc R
C53 C 0.3229(2) 0.3181(2) 0.85923(19) 0.0214(6) Uani 1 1 d .
C54 C 0.2995(3) 0.3703(2) 0.9298(2) 0.0288(7) Uani 1 1 d .
H54A H 0.2523 0.4212 0.9151 0.035 Uiso 1 1 calc R
C55 C 0.3443(3) 0.3489(2) 1.0206(2) 0.0360(8) Uani 1 1 d .
H55A H 0.3272 0.3852 1.0678 0.043 Uiso 1 1 calc R
C56 C 0.4130(3) 0.2762(2) 1.0442(2) 0.0338(8) Uani 1 1 d .
H56A H 0.4434 0.2622 1.1071 0.041 Uiso 1 1 calc R
C57 C 0.4379(3) 0.2231(2) 0.9751(2) 0.0295(7) Uani 1 1 d .
H57A H 0.4853 0.1725 0.9906 0.035 Uiso 1 1 calc R
C58 C 0.3934(3) 0.2444(2) 0.8833(2) 0.0242(6) Uani 1 1 d .
H58A H 0.4112 0.2083 0.8363 0.029 Uiso 1 1 calc R
C1S C 0.7880(3) 0.0351(2) 0.2606(2) 0.0362(8) Uani 1 1 d .
H1SA H 0.8580 0.0228 0.2402 0.043 Uiso 1 1 calc R
H1SB H 0.7357 -0.0245 0.2524 0.043 Uiso 1 1 calc R
Cl1S Cl 0.83817(9) 0.07416(7) 0.37972(7) 0.0487(2) Uani 1 1 d .
Cl2S Cl 0.70839(9) 0.11746(7) 0.19064(9) 0.0596(3) Uani 1 1 d .
C3SA C 1.0091(13) 0.5792(10) 1.0187(12) 0.032(3) Uani 0.25 1 d P
C3SB C 0.9561(14) 0.5743(17) 0.9701(15) 0.064(7) Uani 0.25 1 d P
Cl3S Cl 1.00602(13) 0.52682(15) 0.90726(13) 0.1203(7) 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'
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_3
C4 Ru1 C3 38.34(11) .
C4 Ru1 C2 63.62(11) .
C3 Ru1 C2 37.80(10) .
C4 Ru1 C5 38.05(10) .
C3 Ru1 C5 62.93(11) .
C2 Ru1 C5 62.19(11) .
C4 Ru1 C1 62.89(11) .
C3 Ru1 C1 62.60(10) .
C2 Ru1 C1 37.26(10) .
C5 Ru1 C1 36.56(10) .
C4 Ru1 P1 114.32(8) .
C3 Ru1 P1 89.09(8) .
C2 Ru1 P1 100.98(8) .
C5 Ru1 P1 150.97(8) .
C1 Ru1 P1 137.30(8) .
C4 Ru1 P2 95.97(8) .
C3 Ru1 P2 130.62(8) .
C2 Ru1 P2 155.20(8) .
C5 Ru1 P2 93.12(8) .
C1 Ru1 P2 122.26(8) .
P1 Ru1 P2 100.38(3) .
C4 Ru1 Cl1 150.97(8) .
C3 Ru1 Cl1 136.07(8) .
C2 Ru1 Cl1 99.55(8) .
C5 Ru1 Cl1 113.90(8) .
C1 Ru1 Cl1 89.20(8) .
P1 Ru1 Cl1 91.24(3) .
P2 Ru1 Cl1 92.44(2) .
C35 P1 C29 100.22(13) .
C35 P1 C23 103.27(13) .
C29 P1 C23 102.77(12) .
C35 P1 Ru1 120.12(9) .
C29 P1 Ru1 118.18(10) .
C23 P1 Ru1 110.00(9) .
C53 P2 C47 97.55(13) .
C53 P2 C41 103.86(13) .
C47 P2 C41 102.16(13) .
C53 P2 Ru1 125.83(10) .
C47 P2 Ru1 113.12(10) .
C41 P2 Ru1 111.25(9) .
C5 C1 C2 107.6(2) .
C5 C1 C6 127.6(3) .
C2 C1 C6 124.8(3) .
C5 C1 Ru1 70.35(16) .
C2 C1 Ru1 69.20(15) .
C6 C1 Ru1 126.27(19) .
C3 C2 C1 108.0(3) .
C3 C2 Ru1 69.39(15) .
C1 C2 Ru1 73.55(16) .
C2 C3 C4 108.5(3) .
C2 C3 Ru1 72.81(16) .
C4 C3 Ru1 70.64(15) .
C3 C4 C5 107.1(3) .
C3 C4 Ru1 71.02(16) .
C5 C4 Ru1 73.67(16) .
C1 C5 C4 108.7(3) .
C1 C5 Ru1 73.10(16) .
C4 C5 Ru1 68.28(15) .
C1 C6 C7 111.7(2) .
C12 C7 C8 118.2(3) .
C12 C7 C6 122.2(3) .
C8 C7 C6 119.4(3) .
C9 C8 C7 122.0(3) .
C10 C9 C8 121.4(3) .
C9 C10 C22 124.7(3) .
C9 C10 C11 118.2(3) .
C22 C10 C11 117.1(3) .
C12 C11 C16 123.1(3) .
C12 C11 C10 118.4(3) .
C16 C11 C10 118.5(3) .
C7 C12 C11 121.8(3) .
C7 C12 C13 121.9(3) .
C11 C12 C13 116.3(3) .
C14 C13 C12 121.2(3) .
C13 C14 C15 122.3(3) .
C17 C15 C14 123.7(3) .
C17 C15 C16 117.9(3) .
C14 C15 C16 118.4(3) .
C20 C16 C11 122.7(3) .
C20 C16 C15 118.6(3) .
C11 C16 C15 118.7(3) .
C18 C17 C15 122.0(4) .
C17 C18 C19 119.9(4) .
C20 C19 C18 120.1(4) .
C19 C20 C16 121.4(3) .
C19 C20 C21 121.8(3) .
C16 C20 C21 116.8(3) .
C22 C21 C20 121.2(3) .
C21 C22 C10 123.7(3) .
C24 C23 C28 117.9(3) .
C24 C23 P1 118.5(2) .
C28 C23 P1 123.5(2) .
C25 C24 C23 121.6(3) .
C26 C25 C24 119.8(3) .
C27 C26 C25 119.4(3) .
C26 C27 C28 120.9(3) .
C27 C28 C23 120.4(3) .
C34 C29 C30 118.4(3) .
C34 C29 P1 120.5(2) .
C30 C29 P1 121.1(2) .
C31 C30 C29 120.4(3) .
C30 C31 C32 120.2(3) .
C33 C32 C31 119.8(3) .
C32 C33 C34 120.2(3) .
C29 C34 C33 120.9(3) .
C36 C35 C40 118.3(3) .
C36 C35 P1 121.4(2) .
C40 C35 P1 120.1(2) .
C37 C36 C35 120.4(3) .
C38 C37 C36 120.5(3) .
C39 C38 C37 119.4(3) .
C40 C39 C38 120.4(3) .
C39 C40 C35 121.0(3) .
C46 C41 C42 118.5(3) .
C46 C41 P2 120.7(2) .
C42 C41 P2 120.4(2) .
C43 C42 C41 120.6(3) .
C44 C43 C42 120.5(3) .
C43 C44 C45 119.5(3) .
C44 C45 C46 120.2(3) .
C41 C46 C45 120.6(3) .
C52 C47 C48 117.9(3) .
C52 C47 P2 121.2(2) .
C48 C47 P2 120.8(2) .
C49 C48 C47 120.8(3) .
C48 C49 C50 120.4(3) .
C51 C50 C49 119.5(3) .
C50 C51 C52 120.4(3) .
C47 C52 C51 121.0(3) .
C54 C53 C58 118.2(3) .
C54 C53 P2 123.1(2) .
C58 C53 P2 118.3(2) .
C55 C54 C53 120.6(3) .
C56 C55 C54 121.1(3) .
C55 C56 C57 119.4(3) .
C58 C57 C56 119.9(3) .
C57 C58 C53 120.8(3) .
Cl2S C1S Cl1S 112.17(19) .
C3SB C3SA Cl3S 111(2) 2_767
Cl3S C3SA Cl3S 104.8(7) 2_767
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C4 2.165(3) .
Ru1 C3 2.170(3) .
Ru1 C2 2.214(3) .
Ru1 C5 2.236(3) .
Ru1 C1 2.272(3) .
Ru1 P1 2.3036(7) .
Ru1 P2 2.3195(8) .
Ru1 Cl1 2.4462(7) .
P1 C35 1.835(3) .
P1 C29 1.842(3) .
P1 C23 1.858(3) .
P2 C53 1.835(3) .
P2 C47 1.837(3) .
P2 C41 1.839(3) .
C1 C5 1.414(4) .
C1 C2 1.434(4) .
C1 C6 1.505(4) .
C2 C3 1.421(4) .
C3 C4 1.423(4) .
C4 C5 1.436(4) .
C6 C7 1.511(4) .
C7 C12 1.386(4) .
C7 C8 1.391(5) .
C8 C9 1.380(5) .
C9 C10 1.371(5) .
C10 C22 1.431(5) .
C10 C11 1.462(4) .
C11 C12 1.403(4) .
C11 C16 1.415(4) .
C12 C13 1.474(4) .
C13 C14 1.345(5) .
C14 C15 1.426(5) .
C15 C17 1.388(5) .
C15 C16 1.435(5) .
C16 C20 1.410(5) .
C17 C18 1.383(5) .
C18 C19 1.385(5) .
C19 C20 1.366(5) .
C20 C21 1.467(5) .
C21 C22 1.322(5) .
C23 C24 1.391(4) .
C23 C28 1.398(4) .
C24 C25 1.385(4) .
C25 C26 1.385(4) .
C26 C27 1.376(4) .
C27 C28 1.389(4) .
C29 C34 1.381(4) .
C29 C30 1.406(4) .
C30 C31 1.382(4) .
C31 C32 1.388(5) .
C32 C33 1.373(5) .
C33 C34 1.392(4) .
C35 C36 1.395(4) .
C35 C40 1.397(4) .
C36 C37 1.388(4) .
C37 C38 1.386(4) .
C38 C39 1.385(5) .
C39 C40 1.376(4) .
C41 C46 1.388(4) .
C41 C42 1.395(4) .
C42 C43 1.391(4) .
C43 C44 1.378(5) .
C44 C45 1.382(5) .
C45 C46 1.398(4) .
C47 C52 1.386(4) .
C47 C48 1.404(4) .
C48 C49 1.384(4) .
C49 C50 1.385(5) .
C50 C51 1.376(4) .
C51 C52 1.396(4) .
C53 C54 1.392(4) .
C53 C58 1.396(4) .
C54 C55 1.377(4) .
C55 C56 1.371(5) .
C56 C57 1.390(4) .
C57 C58 1.388(4) .
C1S Cl2S 1.760(3) .
C1S Cl1S 1.777(4) .
C3SA C3SB 0.806(19) .
C3SA Cl3S 1.813(15) .
C3SA Cl3S 1.953(16) 2_767
C3SB Cl3S 1.44(2) .
Cl3S C3SA 1.953(16) 2_767
