#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/01/4070124.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_4070124
loop_
_publ_author_name
'Ang, Wee Han'
'Cordiner, Richard L.'
'Hill, Anthony F.'
'Perry, Tamara L.'
'Wagler, Jörg'
_publ_section_title
;
 Reactions of [Ru(CO)2(PPh3)3] with Alkynylphosphonium Salts: A
 Phosphinoallene Complex
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5568
_journal_paper_doi               10.1021/om900621v
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety
'C59 H48 O2 P3 Ru, 0.5(F6 P), 0.5(C H2 Cl2), 0.5(C H2 Cl2), 0.5(Br),'
_chemical_formula_sum            'C60 H50 Br0.5 Cl2 F3 O2 P3.5 Ru'
_chemical_formula_weight         1180.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 107.0630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4415(3)
_cell_length_b                   12.2233(3)
_cell_length_c                   27.9952(6)
_cell_measurement_reflns_used    76339
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      2.546
_cell_volume                     5378.5(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Collect, KappaCCD'
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP32 for windows (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Nonius Kappa 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  0.0703
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            45044
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.818
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2404
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         9349
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0417
_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)+(0.0323P)²+7.9420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                7414
_reflns_number_total             9349
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900621v_si_001.cif
_cod_data_source_block           tlp00101
_cod_original_sg_symbol_Hall     -P2yc
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum        'C60 H50 Br0.50 Cl2 F3 O2 P3.50 Ru'
_cod_database_code               4070124
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 0.206142(15) 0.41919(2) 0.456463(9) 0.01228(8) Uani 1 1 d . A .
Br1 Br 0.01623(6) 0.36703(6) 0.24354(4) 0.0267(2) Uani 0.50 1 d P . 1
P1 P 0.26770(5) 0.30363(7) 0.30612(3) 0.01841(19) Uani 1 1 d D . .
P2 P 0.17525(5) 0.23455(6) 0.46922(3) 0.01358(18) Uani 1 1 d . . .
P3 P 0.22665(5) 0.60577(6) 0.44209(3) 0.01545(18) Uani 1 1 d . . .
O1 O 0.30020(15) 0.44559(19) 0.56840(8) 0.0278(6) Uani 1 1 d . . .
O2 O 0.01752(14) 0.47014(19) 0.44118(9) 0.0259(5) Uani 1 1 d . . .
C1 C 0.2615(2) 0.4371(2) 0.52729(12) 0.0172(7) Uani 1 1 d . . .
C2 C 0.0881(2) 0.4509(2) 0.44673(11) 0.0176(7) Uani 1 1 d . . .
C3 C 0.3132(2) 0.3728(3) 0.43096(12) 0.0185(7) Uani 1 1 d . A .
H3A H 0.352(2) 0.427(3) 0.4313(12) 0.021(9) Uiso 1 1 d . . .
H3B H 0.341(2) 0.303(3) 0.4430(13) 0.034(10) Uiso 1 1 d . . .
C4 C 0.23513(19) 0.3754(2) 0.39199(11) 0.0163(7) Uani 1 1 d . . .
C5 C 0.2045(2) 0.3546(3) 0.34292(12) 0.0193(7) Uani 1 1 d . A .
H5 H 0.146(2) 0.364(3) 0.3243(12) 0.018(8) Uiso 1 1 d . . .
C6 C 0.2549(7) 0.3900(7) 0.2524(2) 0.0209(18) Uani 0.50 1 d PDU A 1
C7 C 0.271(2) 0.350(2) 0.2094(8) 0.031(3) Uani 0.50 1 d PD A 1
H7 H 0.2880 0.2761 0.2076 0.037 Uiso 0.50 1 calc PR A 1
C8 C 0.2622(17) 0.4199(13) 0.1696(6) 0.040(4) Uani 0.50 1 d PD A 1
H8 H 0.2730 0.3946 0.1400 0.048 Uiso 0.50 1 calc PR A 1
C9 C 0.2374(5) 0.5268(7) 0.1728(3) 0.0430(16) Uani 0.50 1 d PD A 1
H9 H 0.2340 0.5754 0.1458 0.052 Uiso 0.50 1 calc PR A 1
C10 C 0.2176(6) 0.5644(7) 0.2144(3) 0.0517(17) Uani 0.50 1 d PD A 1
H10 H 0.1973 0.6370 0.2151 0.062 Uiso 0.50 1 calc PR A 1
C11 C 0.2274(5) 0.4958(6) 0.2553(3) 0.0372(14) Uani 0.50 1 d PD A 1
H11 H 0.2154 0.5211 0.2847 0.045 Uiso 0.50 1 calc PR A 1
C6A C 0.2408(7) 0.3685(8) 0.2458(2) 0.0209(18) Uani 0.50 1 d PD A 2
C7A C 0.288(2) 0.341(2) 0.2133(8) 0.031(3) Uani 0.50 1 d PD A 2
H7A H 0.3362 0.2940 0.2246 0.037 Uiso 0.50 1 calc PR A 2
C8A C 0.2652(17) 0.3805(14) 0.1651(6) 0.040(4) Uani 0.50 1 d PD A 2
H8A H 0.2961 0.3588 0.1428 0.048 Uiso 0.50 1 calc PR A 2
C9A C 0.1975(5) 0.4519(7) 0.1490(3) 0.0430(16) Uani 0.50 1 d PD A 2
H9A H 0.1835 0.4813 0.1162 0.052 Uiso 0.50 1 calc PR A 2
C10A C 0.1507(6) 0.4804(7) 0.1798(3) 0.0517(17) Uani 0.50 1 d PD A 2
H10A H 0.1031 0.5275 0.1681 0.062 Uiso 0.50 1 calc PR A 2
C11A C 0.1723(5) 0.4409(6) 0.2286(3) 0.0372(14) Uani 0.50 1 d PD A 2
H11A H 0.1406 0.4632 0.2503 0.045 Uiso 0.50 1 calc PR A 2
C12 C 0.3794(2) 0.3117(3) 0.33857(12) 0.0209(7) Uani 1 1 d . A .
C13 C 0.4192(2) 0.2307(3) 0.37186(13) 0.0257(8) Uani 1 1 d . . .
H13 H 0.3884 0.1676 0.3762 0.031 Uiso 1 1 calc R A .
C14 C 0.5041(2) 0.2419(3) 0.39880(14) 0.0355(9) Uani 1 1 d . A .
H14 H 0.5314 0.1862 0.4215 0.043 Uiso 1 1 calc R . .
C15 C 0.5491(2) 0.3337(4) 0.39283(16) 0.0432(11) Uani 1 1 d . . .
H15 H 0.6073 0.3412 0.4114 0.052 Uiso 1 1 calc R A .
C16 C 0.5097(3) 0.4140(4) 0.36006(17) 0.0479(12) Uani 1 1 d . A .
H16 H 0.5409 0.4771 0.3561 0.057 Uiso 1 1 calc R . .
C17 C 0.4249(2) 0.4045(3) 0.33268(14) 0.0350(9) Uani 1 1 d . . .
H17 H 0.3980 0.4606 0.3101 0.042 Uiso 1 1 calc R A .
C18 C 0.2389(2) 0.1624(3) 0.29000(11) 0.0208(7) Uani 1 1 d . A .
C19 C 0.2961(2) 0.0891(3) 0.27973(14) 0.0327(9) Uani 1 1 d . . .
H19 H 0.3516 0.1123 0.2806 0.039 Uiso 1 1 calc R A .
C20 C 0.2708(2) -0.0191(3) 0.26807(15) 0.0414(10) Uani 1 1 d . A .
H20 H 0.3097 -0.0700 0.2613 0.050 Uiso 1 1 calc R . .
C21 C 0.1908(2) -0.0523(3) 0.26635(14) 0.0359(10) Uani 1 1 d . . .
H21 H 0.1745 -0.1263 0.2588 0.043 Uiso 1 1 calc R A .
C22 C 0.1339(2) 0.0207(3) 0.27538(12) 0.0284(8) Uani 1 1 d . A .
H22 H 0.0778 -0.0027 0.2733 0.034 Uiso 1 1 calc R . .
C23 C 0.1571(2) 0.1281(3) 0.28757(11) 0.0225(8) Uani 1 1 d . . .
H23 H 0.1176 0.1781 0.2942 0.027 Uiso 1 1 calc R A .
C24 C 0.16517(19) 0.2144(2) 0.53207(11) 0.0155(7) Uani 1 1 d . . .
C25 C 0.2216(2) 0.1541(3) 0.56979(12) 0.0234(8) Uani 1 1 d . . .
H25 H 0.2659 0.1134 0.5627 0.028 Uiso 1 1 calc R . .
C26 C 0.2132(2) 0.1531(3) 0.61785(12) 0.0272(8) Uani 1 1 d . . .
H26 H 0.2523 0.1125 0.6435 0.033 Uiso 1 1 calc R . .
C27 C 0.1487(2) 0.2108(3) 0.62844(12) 0.0273(8) Uani 1 1 d . . .
H27 H 0.1436 0.2105 0.6614 0.033 Uiso 1 1 calc R . .
C28 C 0.0913(2) 0.2692(3) 0.59127(12) 0.0250(8) Uani 1 1 d . . .
H28 H 0.0461 0.3077 0.5985 0.030 Uiso 1 1 calc R . .
C29 C 0.0996(2) 0.2717(3) 0.54359(12) 0.0200(7) Uani 1 1 d . . .
H29 H 0.0603 0.3129 0.5183 0.024 Uiso 1 1 calc R . .
C30 C 0.25246(19) 0.1338(2) 0.46095(11) 0.0157(7) Uani 1 1 d . . .
C31 C 0.3355(2) 0.1341(3) 0.49209(13) 0.0254(8) Uani 1 1 d . . .
H31 H 0.3512 0.1833 0.5195 0.030 Uiso 1 1 calc R . .
C32 C 0.3955(2) 0.0640(3) 0.48371(14) 0.0344(9) Uani 1 1 d . . .
H32 H 0.4517 0.0640 0.5058 0.041 Uiso 1 1 calc R . .
C33 C 0.3741(2) -0.0066(3) 0.44305(13) 0.0284(8) Uani 1 1 d . . .
H33 H 0.4155 -0.0549 0.4373 0.034 Uiso 1 1 calc R . .
C34 C 0.2927(2) -0.0061(3) 0.41121(12) 0.0212(7) Uani 1 1 d . . .
H34 H 0.2780 -0.0534 0.3831 0.025 Uiso 1 1 calc R . .
C35 C 0.2318(2) 0.0633(2) 0.41996(11) 0.0176(7) Uani 1 1 d . . .
H35 H 0.1756 0.0627 0.3979 0.021 Uiso 1 1 calc R . .
C36 C 0.07536(19) 0.1782(2) 0.42951(11) 0.0159(7) Uani 1 1 d . . .
C37 C 0.03502(19) 0.2241(3) 0.38313(11) 0.0193(7) Uani 1 1 d . . .
H37 H 0.0563 0.2898 0.3731 0.023 Uiso 1 1 calc R . .
C38 C -0.0365(2) 0.1740(3) 0.35144(12) 0.0242(8) Uani 1 1 d . . .
H38 H -0.0635 0.2052 0.3196 0.029 Uiso 1 1 calc R . .
C39 C -0.0684(2) 0.0793(3) 0.36591(13) 0.0268(8) Uani 1 1 d . . .
H39 H -0.1171 0.0452 0.3441 0.032 Uiso 1 1 calc R . .
C40 C -0.0291(2) 0.0339(3) 0.41249(13) 0.0256(8) Uani 1 1 d . . .
H40 H -0.0513 -0.0310 0.4226 0.031 Uiso 1 1 calc R . .
C41 C 0.0423(2) 0.0830(3) 0.44430(12) 0.0212(7) Uani 1 1 d . . .
H41 H 0.0688 0.0520 0.4762 0.025 Uiso 1 1 calc R . .
C42 C 0.32618(19) 0.6412(2) 0.42917(12) 0.0184(7) Uani 1 1 d . . .
C43 C 0.3289(2) 0.6816(3) 0.38335(13) 0.0253(8) Uani 1 1 d . . .
H43 H 0.2776 0.6942 0.3574 0.030 Uiso 1 1 calc R . .
C44 C 0.4073(2) 0.7035(3) 0.37550(14) 0.0348(9) Uani 1 1 d . . .
H44 H 0.4092 0.7311 0.3441 0.042 Uiso 1 1 calc R . .
C45 C 0.4822(2) 0.6853(3) 0.41311(15) 0.0346(9) Uani 1 1 d . . .
H45 H 0.5352 0.7012 0.4076 0.041 Uiso 1 1 calc R . .
C46 C 0.4799(2) 0.6442(3) 0.45860(14) 0.0294(9) Uani 1 1 d . . .
H46 H 0.5314 0.6313 0.4844 0.035 Uiso 1 1 calc R . .
C47 C 0.4027(2) 0.6219(3) 0.46644(13) 0.0241(8) Uani 1 1 d . . .
H47 H 0.4013 0.5930 0.4977 0.029 Uiso 1 1 calc R . .
C48 C 0.14345(19) 0.6687(3) 0.39116(11) 0.0177(7) Uani 1 1 d . . .
C49 C 0.0925(2) 0.6041(3) 0.35326(12) 0.0247(8) Uani 1 1 d . . .
H49 H 0.1017 0.5273 0.3535 0.030 Uiso 1 1 calc R . .
C50 C 0.0286(2) 0.6507(3) 0.31515(13) 0.0313(9) Uani 1 1 d . . .
H50 H -0.0063 0.6058 0.2896 0.038 Uiso 1 1 calc R . .
C51 C 0.0153(2) 0.7626(3) 0.31412(13) 0.0286(8) Uani 1 1 d . . .
H51 H -0.0281 0.7946 0.2876 0.034 Uiso 1 1 calc R . .
C52 C 0.0652(2) 0.8276(3) 0.35163(13) 0.0266(8) Uani 1 1 d . . .
H52 H 0.0557 0.9043 0.3512 0.032 Uiso 1 1 calc R . .
C53 C 0.1291(2) 0.7811(3) 0.38994(12) 0.0222(8) Uani 1 1 d . . .
H53 H 0.1634 0.8262 0.4156 0.027 Uiso 1 1 calc R . .
C54 C 0.2259(2) 0.6966(2) 0.49399(12) 0.0186(7) Uani 1 1 d . . .
C55 C 0.2796(2) 0.7876(3) 0.50619(12) 0.0230(8) Uani 1 1 d . . .
H55 H 0.3203 0.8008 0.4888 0.028 Uiso 1 1 calc R . .
C56 C 0.2736(2) 0.8586(3) 0.54364(15) 0.0351(10) Uani 1 1 d . . .
H56 H 0.3113 0.9191 0.5525 0.042 Uiso 1 1 calc R . .
C57 C 0.2136(2) 0.8418(3) 0.56791(16) 0.0431(11) Uani 1 1 d . . .
H57 H 0.2090 0.8915 0.5931 0.052 Uiso 1 1 calc R . .
C58 C 0.1594(2) 0.7529(3) 0.55595(15) 0.0386(10) Uani 1 1 d . . .
H58 H 0.1175 0.7420 0.5727 0.046 Uiso 1 1 calc R . .
C59 C 0.1663(2) 0.6799(3) 0.51960(13) 0.0260(8) Uani 1 1 d . . .
H59 H 0.1299 0.6179 0.5121 0.031 Uiso 1 1 calc R . .
P4 P 0.45463(13) 0.04191(18) 0.67086(8) 0.0296(5) Uani 0.32 1 d PD B 1
F1 F 0.4934(3) -0.0651(4) 0.70350(18) 0.0476(12) Uani 0.32 1 d PD B 1
F2 F 0.4084(7) 0.0750(10) 0.7122(4) 0.040(3) Uani 0.32 1 d PD B 1
F3 F 0.3736(6) -0.0252(11) 0.6422(5) 0.052(3) Uani 0.32 1 d PD B 1
F4 F 0.5068(6) 0.0086(9) 0.6330(3) 0.057(3) Uani 0.32 1 d PDU B 1
F5 F 0.4147(3) 0.1466(4) 0.63925(17) 0.0449(12) Uani 0.32 1 d PD B 1
F6 F 0.5354(5) 0.1114(9) 0.7027(4) 0.049(3) Uani 0.32 1 d PD B 1
P4A P 0.45463(13) 0.04191(18) 0.67086(8) 0.0296(5) Uani 0.18 1 d PD C 2
F1A F 0.4934(3) -0.0651(4) 0.70350(18) 0.0476(12) Uani 0.18 1 d PD C 2
F2A F 0.4312(15) 0.093(2) 0.7177(7) 0.040(3) Uani 0.18 1 d PD C 2
F3A F 0.3634(10) -0.014(2) 0.6535(10) 0.052(3) Uani 0.18 1 d PD C 2
F4A F 0.4720(12) -0.0139(16) 0.6222(6) 0.057(3) Uani 0.18 1 d PD C 2
F5A F 0.4147(3) 0.1466(4) 0.63925(17) 0.0449(12) Uani 0.18 1 d PD C 2
F6A F 0.5453(9) 0.0969(18) 0.6874(8) 0.049(3) Uani 0.18 1 d PD C 2
Cl1 Cl 0.36772(15) -0.0881(2) 0.67238(9) 0.0535(6) Uani 0.50 1 d PD D 3
C1S C 0.4577(6) -0.0059(7) 0.6837(3) 0.0296(5) Uani 0.50 1 d PD D 3
H1S1 H 0.4567 0.0488 0.7096 0.036 Uiso 0.50 1 calc PR D 3
H1S2 H 0.5091 -0.0517 0.6967 0.036 Uiso 0.50 1 calc PR D 3
Cl2 Cl 0.46293(18) 0.0611(2) 0.63000(10) 0.0595(7) Uani 0.50 1 d PD D 3
Cl3 Cl 0.30569(17) 0.6825(2) 0.24509(9) 0.0650(7) Uani 0.50 1 d P A 1
C2S C 0.3703(7) 0.6575(9) 0.2055(4) 0.076(3) Uani 0.50 1 d P A 1
H2S1 H 0.3402 0.6057 0.1790 0.092 Uiso 0.50 1 calc PR A 1
H2S2 H 0.3776 0.7270 0.1890 0.092 Uiso 0.50 1 calc PR A 1
Cl4 Cl 0.4647(2) 0.6075(3) 0.23395(12) 0.0930(10) Uani 0.50 1 d P . 1
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'
F F 0.0171 0.0103 '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'
Br Br -0.2901 2.4595 '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
C2 Ru1 C1 105.95(13) .
C2 Ru1 C4 114.25(12) .
C1 Ru1 C4 139.79(12) .
C2 Ru1 C3 153.44(12) .
C1 Ru1 C3 100.61(13) .
C4 Ru1 C3 39.19(12) .
C2 Ru1 P3 88.27(9) .
C1 Ru1 P3 91.01(9) .
C4 Ru1 P3 91.15(9) .
C3 Ru1 P3 91.49(10) .
C2 Ru1 P2 87.76(9) .
C1 Ru1 P2 90.60(9) .
C4 Ru1 P2 89.99(9) .
C3 Ru1 P2 91.82(10) .
P3 Ru1 P2 176.00(3) .
C5 P1 C12 111.86(15) .
C5 P1 C6 109.5(3) .
C12 P1 C6 104.0(4) .
C5 P1 C6A 111.4(3) .
C12 P1 C6A 112.5(4) .
C5 P1 C18 108.91(15) .
C12 P1 C18 109.39(15) .
C6 P1 C18 113.1(4) .
C6A P1 C18 102.2(4) .
C36 P2 C30 101.66(14) .
C36 P2 C24 102.44(14) .
C30 P2 C24 107.02(14) .
C36 P2 Ru1 117.58(10) .
C30 P2 Ru1 115.81(10) .
C24 P2 Ru1 110.94(10) .
C42 P3 C48 104.72(14) .
C42 P3 C54 103.21(14) .
C48 P3 C54 100.70(14) .
C42 P3 Ru1 116.35(10) .
C48 P3 Ru1 115.32(11) .
C54 P3 Ru1 114.62(11) .
O1 C1 Ru1 174.5(3) .
O2 C2 Ru1 179.6(3) .
C4 C3 Ru1 66.87(17) .
C4 C3 H3A 118(2) .
Ru1 C3 H3A 117(2) .
C4 C3 H3B 121(2) .
Ru1 C3 H3B 117(2) .
H3A C3 H3B 111(3) .
C5 C4 C3 139.9(3) .
C5 C4 Ru1 146.1(2) .
C3 C4 Ru1 73.95(18) .
C4 C5 P1 123.6(3) .
C4 C5 H5 123.2(18) .
P1 C5 H5 113.2(18) .
C11 C6 C7 122.0(9) .
C11 C6 P1 117.3(6) .
C7 C6 P1 120.7(10) .
C8 C7 C6 118.5(17) .
C8 C7 H7 120.8 .
C6 C7 H7 120.8 .
C7 C8 C9 120.0(13) .
C7 C8 H8 120.0 .
C9 C8 H8 120.0 .
C10 C9 C8 121.3(8) .
C10 C9 H9 119.4 .
C8 C9 H9 119.4 .
C9 C10 C11 119.8(7) .
C9 C10 Cl3 106.1(6) .
C11 C10 Cl3 100.5(6) .
C9 C10 H10 120.1 .
C11 C10 H10 120.1 .
Cl3 C10 H10 62.8 .
C6 C11 C10 118.4(6) .
C6 C11 H11 120.8 .
C10 C11 H11 120.8 .
C7A C6A C11A 118.3(8) .
C7A C6A P1 118.2(9) .
C11A C6A P1 123.5(6) .
C8A C7A C6A 120.3(16) .
C8A C7A H7A 119.8 .
C6A C7A H7A 119.8 .
C7A C8A C9A 120.2(13) .
C7A C8A H8A 119.9 .
C9A C8A H8A 119.9 .
C10A C9A C8A 120.5(8) .
C10A C9A H9A 119.7 .
C8A C9A H9A 119.7 .
C9A C10A C11A 120.3(7) .
C9A C10A H10A 119.8 .
C11A C10A H10A 119.8 .
C10A C11A C6A 120.2(6) .
C10A C11A H11A 119.9 .
C6A C11A H11A 119.9 .
C13 C12 C17 119.7(3) .
C13 C12 P1 120.8(3) .
C17 C12 P1 119.3(3) .
C14 C13 C12 119.9(3) .
C14 C13 H13 120.1 .
C12 C13 H13 120.1 .
C15 C14 C13 120.3(4) .
C15 C14 H14 119.8 .
C13 C14 H14 119.8 .
C16 C15 C14 119.9(4) .
C16 C15 H15 120.1 .
C14 C15 H15 120.1 .
C15 C16 C17 120.8(4) .
C15 C16 H16 119.6 .
C17 C16 H16 119.6 .
C16 C17 C12 119.4(4) .
C16 C17 H17 120.3 .
C12 C17 H17 120.3 .
C19 C18 C23 120.0(3) .
C19 C18 P1 121.5(3) .
C23 C18 P1 118.5(3) .
C18 C19 C20 119.1(3) .
C18 C19 H19 120.4 .
C20 C19 H19 120.4 .
C21 C20 C19 120.5(4) .
C21 C20 H20 119.8 .
C19 C20 H20 119.8 .
C20 C21 C22 120.3(4) .
C20 C21 H21 119.9 .
C22 C21 H21 119.9 .
C21 C22 C23 120.7(3) .
C21 C22 H22 119.7 .
C23 C22 H22 119.7 .
C22 C23 C18 119.4(3) .
C22 C23 H23 120.3 .
C18 C23 H23 120.3 .
C25 C24 C29 118.4(3) .
C25 C24 P2 124.8(2) .
C29 C24 P2 116.6(2) .
C26 C25 C24 120.3(3) .
C26 C25 H25 119.9 .
C24 C25 H25 119.9 .
C27 C26 C25 120.3(3) .
C27 C26 H26 119.9 .
C25 C26 H26 119.9 .
C26 C27 C28 120.1(3) .
C26 C27 H27 119.9 .
C28 C27 H27 119.9 .
C27 C28 C29 120.1(3) .
C27 C28 H28 120.0 .
C29 C28 H28 120.0 .
C28 C29 C24 120.8(3) .
C28 C29 H29 119.6 .
C24 C29 H29 119.6 .
C31 C30 C35 118.4(3) .
C31 C30 P2 120.6(2) .
C35 C30 P2 120.6(2) .
C32 C31 C30 120.9(3) .
C32 C31 H31 119.6 .
C30 C31 H31 119.6 .
C31 C32 C33 120.3(3) .
C31 C32 H32 119.9 .
C33 C32 H32 119.9 .
C34 C33 C32 119.5(3) .
C34 C33 H33 120.2 .
C32 C33 H33 120.2 .
C33 C34 C35 120.3(3) .
C33 C34 H34 119.9 .
C35 C34 H34 119.9 .
C34 C35 C30 120.6(3) .
C34 C35 H35 119.7 .
C30 C35 H35 119.7 .
C37 C36 C41 119.5(3) .
C37 C36 P2 120.9(2) .
C41 C36 P2 119.5(2) .
C38 C37 C36 120.0(3) .
C38 C37 H37 120.0 .
C36 C37 H37 120.0 .
C39 C38 C37 120.4(3) .
C39 C38 H38 119.8 .
C37 C38 H38 119.8 .
C38 C39 C40 119.9(3) .
C38 C39 H39 120.1 .
C40 C39 H39 120.1 .
C41 C40 C39 120.2(3) .
C41 C40 H40 119.9 .
C39 C40 H40 119.9 .
C40 C41 C36 120.0(3) .
C40 C41 H41 120.0 .
C36 C41 H41 120.0 .
C43 C42 C47 118.9(3) .
C43 C42 P3 122.7(2) .
C47 C42 P3 118.3(2) .
C42 C43 C44 119.7(3) .
C42 C43 H43 120.1 .
C44 C43 H43 120.1 .
C45 C44 C43 120.4(3) .
C45 C44 H44 119.8 .
C43 C44 H44 119.8 .
C46 C45 C44 120.2(3) .
C46 C45 H45 119.9 .
C44 C45 H45 119.9 .
C47 C46 C45 119.6(3) .
C47 C46 H46 120.2 .
C45 C46 H46 120.2 .
C46 C47 C42 121.1(3) .
C46 C47 H47 119.4 .
C42 C47 H47 119.4 .
C49 C48 C53 118.8(3) .
C49 C48 P3 120.1(2) .
C53 C48 P3 121.1(2) .
C50 C49 C48 120.4(3) .
C50 C49 H49 119.8 .
C48 C49 H49 119.8 .
C49 C50 C51 120.2(3) .
C49 C50 H50 119.9 .
C51 C50 H50 119.9 .
C52 C51 C50 119.9(3) .
C52 C51 H51 120.1 .
C50 C51 H51 120.1 .
C51 C52 C53 120.0(3) .
C51 C52 H52 120.0 .
C53 C52 H52 120.0 .
C52 C53 C48 120.6(3) .
C52 C53 H53 119.7 .
C48 C53 H53 119.7 .
C59 C54 C55 118.8(3) .
C59 C54 P3 119.4(2) .
C55 C54 P3 121.7(2) .
C56 C55 C54 120.1(3) .
C56 C55 H55 119.9 .
C54 C55 H55 119.9 .
C57 C56 C55 120.2(3) .
C57 C56 H56 119.9 .
C55 C56 H56 119.9 .
C56 C57 C58 120.3(3) .
C56 C57 H57 119.8 .
C58 C57 H57 119.8 .
C57 C58 C59 120.0(3) .
C57 C58 H58 120.0 .
C59 C58 H58 120.0 .
C58 C59 C54 120.5(3) .
C58 C59 H59 119.8 .
C54 C59 H59 119.8 .
F3 P4 F5 89.2(6) .
F3 P4 F4 93.9(6) .
F5 P4 F4 92.9(5) .
F3 P4 F6 176.9(6) .
F5 P4 F6 91.3(5) .
F4 P4 F6 89.1(5) .
F3 P4 F2 89.4(5) .
F5 P4 F2 89.6(5) .
F4 P4 F2 175.9(6) .
F6 P4 F2 87.5(5) .
F3 P4 F1 90.0(6) .
F5 P4 F1 178.7(3) .
F4 P4 F1 88.3(4) .
F6 P4 F1 89.4(5) .
F2 P4 F1 89.3(5) .
Cl2 C1S Cl1 111.7(6) .
Cl2 C1S H1S1 109.3 .
Cl1 C1S H1S1 109.3 .
Cl2 C1S H1S2 109.3 .
Cl1 C1S H1S2 109.3 .
H1S1 C1S H1S2 107.9 .
C2S Cl3 C10 95.5(4) .
Cl4 C2S Cl3 114.5(7) .
Cl4 C2S H2S1 108.6 .
Cl3 C2S H2S1 108.6 .
Cl4 C2S H2S2 108.6 .
Cl3 C2S H2S2 108.6 .
H2S1 C2S H2S2 107.6 .
Cl4 Cl4 C2S 154.4(4) 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C2 1.918(3) .
Ru1 C1 1.936(3) .
Ru1 C4 2.068(3) .
Ru1 C3 2.161(3) .
Ru1 P3 2.3572(8) .
Ru1 P2 2.3634(8) .
Br1 Br1 0.7273(12) 2
P1 C5 1.777(3) .
P1 C12 1.797(3) .
P1 C6 1.800(4) .
P1 C6A 1.800(4) .
P1 C18 1.812(3) .
P2 C36 1.827(3) .
P2 C30 1.831(3) .
P2 C24 1.832(3) .
P3 C42 1.829(3) .
P3 C48 1.831(3) .
P3 C54 1.832(3) .
O1 C1 1.145(4) .
O2 C2 1.150(4) .
C3 C4 1.421(4) .
C3 H3A 0.92(3) .
C3 H3B 0.98(4) .
C4 C5 1.342(4) .
C5 H5 0.96(3) .
C6 C11 1.380(10) .
C6 C7 1.394(14) .
C7 C8 1.378(14) .
C7 H7 0.9500 .
C8 C9 1.379(13) .
C8 H8 0.9500 .
C9 C10 1.375(10) .
C9 H9 0.9500 .
C10 C11 1.392(9) .
C10 Cl3 2.047(10) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C6A C7A 1.400(14) .
C6A C11A 1.402(10) .
C7A C8A 1.381(14) .
C7A H7A 0.9500 .
C8A C9A 1.383(15) .
C8A H8A 0.9500 .
C9A C10A 1.358(10) .
C9A H9A 0.9500 .
C10A C11A 1.392(9) .
C10A H10A 0.9500 .
C11A H11A 0.9500 .
C12 C13 1.385(5) .
C12 C17 1.395(5) .
C13 C14 1.384(5) .
C13 H13 0.9500 .
C14 C15 1.382(6) .
C14 H14 0.9500 .
C15 C16 1.370(6) .
C15 H15 0.9500 .
C16 C17 1.384(5) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.388(5) .
C18 C23 1.391(4) .
C19 C20 1.396(5) .
C19 H19 0.9500 .
C20 C21 1.364(5) .
C20 H20 0.9500 .
C21 C22 1.369(5) .
C21 H21 0.9500 .
C22 C23 1.382(5) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C25 1.395(4) .
C24 C29 1.400(4) .
C25 C26 1.392(5) .
C25 H25 0.9500 .
C26 C27 1.377(5) .
C26 H26 0.9500 .
C27 C28 1.380(5) .
C27 H27 0.9500 .
C28 C29 1.381(4) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C31 1.388(4) .
C30 C35 1.395(4) .
C31 C32 1.377(5) .
C31 H31 0.9500 .
C32 C33 1.389(5) .
C32 H32 0.9500 .
C33 C34 1.374(5) .
C33 H33 0.9500 .
C34 C35 1.387(4) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C36 C37 1.391(4) .
C36 C41 1.397(4) .
C37 C38 1.390(4) .
C37 H37 0.9500 .
C38 C39 1.380(5) .
C38 H38 0.9500 .
C39 C40 1.390(5) .
C39 H39 0.9500 .
C40 C41 1.385(5) .
C40 H40 0.9500 .
C41 H41 0.9500 .
C42 C43 1.387(4) .
C42 C47 1.398(4) .
C43 C44 1.395(5) .
C43 H43 0.9500 .
C44 C45 1.383(5) .
C44 H44 0.9500 .
C45 C46 1.379(5) .
C45 H45 0.9500 .
C46 C47 1.379(5) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C48 C49 1.389(4) .
C48 C53 1.393(4) .
C49 C50 1.382(5) .
C49 H49 0.9500 .
C50 C51 1.385(5) .
C50 H50 0.9500 .
C51 C52 1.378(5) .
C51 H51 0.9500 .
C52 C53 1.384(5) .
C52 H52 0.9500 .
C53 H53 0.9500 .
C54 C59 1.389(5) .
C54 C55 1.399(4) .
C55 C56 1.386(5) .
C55 H55 0.9500 .
C56 C57 1.368(5) .
C56 H56 0.9500 .
C57 C58 1.382(5) .
C57 H57 0.9500 .
C58 C59 1.383(5) .
C58 H58 0.9500 .
C59 H59 0.9500 .
P4 F3 1.569(8) .
P4 F5 1.584(5) .
P4 F4 1.600(8) .
P4 F6 1.607(8) .
P4 F2 1.613(7) .
P4 F1 1.615(5) .
Cl1 C1S 1.738(6) .
C1S Cl2 1.738(6) .
C1S H1S1 0.9900 .
C1S H1S2 0.9900 .
Cl3 C2S 1.773(10) .
C2S Cl4 1.640(12) .
C2S H2S1 0.9900 .
C2S H2S2 0.9900 .
Cl4 Cl4 1.243(7) 2_655
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_4
C2 Ru1 P2 C36 39.47(14) .
C1 Ru1 P2 C36 145.41(14) .
C4 Ru1 P2 C36 -74.80(14) .
C3 Ru1 P2 C36 -113.95(14) .
C2 Ru1 P2 C30 159.86(14) .
C1 Ru1 P2 C30 -94.20(14) .
C4 Ru1 P2 C30 45.59(14) .
C3 Ru1 P2 C30 6.44(14) .
C2 Ru1 P2 C24 -77.91(14) .
C1 Ru1 P2 C24 28.02(14) .
C4 Ru1 P2 C24 167.81(14) .
C3 Ru1 P2 C24 128.66(14) .
C2 Ru1 P3 C42 -164.78(15) .
C1 Ru1 P3 C42 89.30(15) .
C4 Ru1 P3 C42 -50.55(14) .
C3 Ru1 P3 C42 -11.35(15) .
C2 Ru1 P3 C48 -41.55(14) .
C1 Ru1 P3 C48 -147.47(14) .
C4 Ru1 P3 C48 72.69(14) .
C3 Ru1 P3 C48 111.88(14) .
C2 Ru1 P3 C54 74.73(14) .
C1 Ru1 P3 C54 -31.20(14) .
C4 Ru1 P3 C54 -171.04(14) .
C3 Ru1 P3 C54 -131.84(14) .
C2 Ru1 C3 C4 -0.9(4) .
C1 Ru1 C3 C4 178.70(19) .
P3 Ru1 C3 C4 -90.00(18) .
P2 Ru1 C3 C4 87.75(18) .
Ru1 C3 C4 C5 -177.3(5) .
C2 Ru1 C4 C5 -3.6(5) .
C1 Ru1 C4 C5 174.9(4) .
C3 Ru1 C4 C5 176.9(5) .
P3 Ru1 C4 C5 -92.2(4) .
P2 Ru1 C4 C5 84.0(4) .
C2 Ru1 C4 C3 179.6(2) .
C1 Ru1 C4 C3 -2.0(3) .
P3 Ru1 C4 C3 90.94(19) .
P2 Ru1 C4 C3 -92.89(19) .
C3 C4 C5 P1 2.2(6) .
Ru1 C4 C5 P1 -173.1(3) .
C12 P1 C5 C4 -12.7(3) .
C6 P1 C5 C4 -127.4(5) .
C6A P1 C5 C4 -139.6(5) .
C18 P1 C5 C4 108.4(3) .
C5 P1 C6 C11 22.2(10) .
C12 P1 C6 C11 -97.5(9) .
C6A P1 C6 C11 124(4) .
C18 P1 C6 C11 144.0(8) .
C5 P1 C6 C7 -157(2) .
C12 P1 C6 C7 84(2) .
C6A P1 C6 C7 -55(3) .
C18 P1 C6 C7 -35(2) .
C11 C6 C7 C8 2(4) .
P1 C6 C7 C8 -179(2) .
C6 C7 C8 C9 0(5) .
C7 C8 C9 C10 -3(4) .
C8 C9 C10 C11 3.9(19) .
C8 C9 C10 Cl3 116.4(16) .
C7 C6 C11 C10 -1(3) .
P1 C6 C11 C10 179.6(7) .
C9 C10 C11 C6 -1.7(14) .
Cl3 C10 C11 C6 -117.2(9) .
C5 P1 C6A C7A 177(2) .
C12 P1 C6A C7A 50(2) .
C6 P1 C6A C7A 94(4) .
C18 P1 C6A C7A -67(2) .
C5 P1 C6A C11A -6.4(11) .
C12 P1 C6A C11A -133.0(9) .
C6 P1 C6A C11A -89(3) .
C18 P1 C6A C11A 109.7(9) .
C11A C6A C7A C8A -3(4) .
P1 C6A C7A C8A 174(3) .
C6A C7A C8A C9A 3(5) .
C7A C8A C9A C10A -3(4) .
C8A C9A C10A C11A 2.2(19) .
C9A C10A C11A C6A -2.2(15) .
C7A C6A C11A C10A 2(3) .
P1 C6A C11A C10A -174.3(8) .
C5 P1 C12 C13 83.6(3) .
C6 P1 C12 C13 -158.3(4) .
C6A P1 C12 C13 -150.0(4) .
C18 P1 C12 C13 -37.1(3) .
C5 P1 C12 C17 -91.9(3) .
C6 P1 C12 C17 26.2(4) .
C6A P1 C12 C17 34.5(5) .
C18 P1 C12 C17 147.4(3) .
C17 C12 C13 C14 -0.4(5) .
P1 C12 C13 C14 -175.9(3) .
C12 C13 C14 C15 0.3(5) .
C13 C14 C15 C16 -0.1(6) .
C14 C15 C16 C17 0.0(6) .
C15 C16 C17 C12 -0.1(6) .
C13 C12 C17 C16 0.4(5) .
P1 C12 C17 C16 175.9(3) .
C5 P1 C18 C19 -153.8(3) .
C12 P1 C18 C19 -31.3(3) .
C6 P1 C18 C19 84.1(5) .
C6A P1 C18 C19 88.2(5) .
C5 P1 C18 C23 26.8(3) .
C12 P1 C18 C23 149.3(2) .
C6 P1 C18 C23 -95.3(5) .
C6A P1 C18 C23 -91.2(4) .
C23 C18 C19 C20 -1.3(5) .
P1 C18 C19 C20 179.3(3) .
C18 C19 C20 C21 0.6(6) .
C19 C20 C21 C22 0.9(6) .
C20 C21 C22 C23 -1.6(5) .
C21 C22 C23 C18 0.8(5) .
C19 C18 C23 C22 0.6(5) .
P1 C18 C23 C22 -179.9(2) .
C36 P2 C24 C25 121.4(3) .
C30 P2 C24 C25 14.9(3) .
Ru1 P2 C24 C25 -112.3(3) .
C36 P2 C24 C29 -64.0(3) .
C30 P2 C24 C29 -170.5(2) .
Ru1 P2 C24 C29 62.3(2) .
C29 C24 C25 C26 -1.2(5) .
P2 C24 C25 C26 173.3(2) .
C24 C25 C26 C27 0.7(5) .
C25 C26 C27 C28 0.6(5) .
C26 C27 C28 C29 -1.4(5) .
C27 C28 C29 C24 0.8(5) .
C25 C24 C29 C28 0.5(5) .
P2 C24 C29 C28 -174.5(2) .
C36 P2 C30 C31 -167.8(3) .
C24 P2 C30 C31 -60.7(3) .
Ru1 P2 C30 C31 63.6(3) .
C36 P2 C30 C35 19.4(3) .
C24 P2 C30 C35 126.5(3) .
Ru1 P2 C30 C35 -109.2(2) .
C35 C30 C31 C32 -2.0(5) .
P2 C30 C31 C32 -175.0(3) .
C30 C31 C32 C33 1.5(6) .
C31 C32 C33 C34 0.0(6) .
C32 C33 C34 C35 -0.9(5) .
C33 C34 C35 C30 0.4(5) .
C31 C30 C35 C34 1.1(5) .
P2 C30 C35 C34 174.1(2) .
C30 P2 C36 C37 -104.3(3) .
C24 P2 C36 C37 145.1(3) .
Ru1 P2 C36 C37 23.2(3) .
C30 P2 C36 C41 71.0(3) .
C24 P2 C36 C41 -39.6(3) .
Ru1 P2 C36 C41 -161.4(2) .
C41 C36 C37 C38 -1.5(4) .
P2 C36 C37 C38 173.9(2) .
C36 C37 C38 C39 0.7(5) .
C37 C38 C39 C40 0.3(5) .
C38 C39 C40 C41 -0.5(5) .
C39 C40 C41 C36 -0.3(5) .
C37 C36 C41 C40 1.3(5) .
P2 C36 C41 C40 -174.1(2) .
C48 P3 C42 C43 -14.5(3) .
C54 P3 C42 C43 -119.5(3) .
Ru1 P3 C42 C43 114.1(3) .
C48 P3 C42 C47 168.4(3) .
C54 P3 C42 C47 63.4(3) .
Ru1 P3 C42 C47 -63.0(3) .
C47 C42 C43 C44 -0.8(5) .
P3 C42 C43 C44 -177.9(3) .
C42 C43 C44 C45 -0.1(5) .
C43 C44 C45 C46 0.7(6) .
C44 C45 C46 C47 -0.4(6) .
C45 C46 C47 C42 -0.5(5) .
C43 C42 C47 C46 1.1(5) .
P3 C42 C47 C46 178.3(3) .
C42 P3 C48 C49 105.9(3) .
C54 P3 C48 C49 -147.2(3) .
Ru1 P3 C48 C49 -23.3(3) .
C42 P3 C48 C53 -75.0(3) .
C54 P3 C48 C53 31.8(3) .
Ru1 P3 C48 C53 155.8(2) .
C53 C48 C49 C50 -0.2(5) .
P3 C48 C49 C50 178.9(3) .
C48 C49 C50 C51 0.7(5) .
C49 C50 C51 C52 -1.0(5) .
C50 C51 C52 C53 0.8(5) .
C51 C52 C53 C48 -0.3(5) .
C49 C48 C53 C52 0.0(5) .
P3 C48 C53 C52 -179.1(2) .
C42 P3 C54 C59 -169.1(3) .
C48 P3 C54 C59 82.9(3) .
Ru1 P3 C54 C59 -41.6(3) .
C42 P3 C54 C55 15.8(3) .
C48 P3 C54 C55 -92.2(3) .
Ru1 P3 C54 C55 143.3(2) .
C59 C54 C55 C56 0.8(5) .
P3 C54 C55 C56 175.9(3) .
C54 C55 C56 C57 -1.9(6) .
C55 C56 C57 C58 1.2(6) .
C56 C57 C58 C59 0.5(6) .
C57 C58 C59 C54 -1.6(6) .
C55 C54 C59 C58 1.0(5) .
P3 C54 C59 C58 -174.3(3) .
C9 C10 Cl3 C2S -8.1(7) .
C11 C10 Cl3 C2S 117.3(6) .
C10 Cl3 C2S Cl4 -113.0(6) .
Cl3 C2S Cl4 Cl4 -55.7(15) 2_655
