#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:43:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179259 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/79/4317901.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_4317901
loop_
_publ_author_name
'Amanda L. Eckermann'
'Markus Wunder'
'Dieter Fenske'
'Thomas B. Rauchfuss'
'Scott R. Wilson'
_publ_contact_author
; 
Thomas B. Rauchfuss 
University of Illinois 
School of Chemical Sciences 
600 South Mathews Avenue Box 12-6 
Urbana, Illinois  61801 
USA 
;
_publ_contact_author_email       rauchfuz@uiuc.edu
_publ_contact_author_fax         '1  217 333 2685'
_publ_contact_author_phone       '1  217 333 7355'
_publ_section_title
;
 New Class of Ruthenium Sulfide Clusters: Ru4S6(PPh3)4, Ru5S6(PPh3)5, and
 Ru6S8(PPh3)6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2004
_journal_page_last               2006
_journal_paper_doi               10.1021/ic0255104
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C108 H90 P6 Ru6 S8, 3(C H2 Cl2)'
_chemical_formula_sum            'C111 H96 Cl6 P6 Ru6 S8'
_chemical_formula_weight         2691.30
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
; 
2001-12-18   text and data added ale 
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.156(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.146(7)
_cell_length_b                   19.546(10)
_cell_length_c                   19.219(10)
_cell_measurement_reflns_used    983
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.9
_cell_volume                     5195(5)
_computing_cell_refinement       'SAINT V5 (Bruker, 1998)'
_computing_data_collection       'SMART V5 (Bruker, 1998)'
_computing_data_reduction        'SAINT V5 (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL V5 (Bruker, 1998)'
_computing_publication_material  'CIFTAB (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXTL V5 (Bruker, 1998)'
_computing_structure_solution    'SHELXTL V5 (Bruker, 1998)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Siemens Platform/CCD'
_diffrn_measurement_method       'profile data from ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_wavelength_id  p03oa
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43419
_diffrn_reflns_theta_full        25.28
_diffrn_reflns_theta_max         25.28
_diffrn_reflns_theta_min         1.50
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_time  328
_diffrn_standards_number         841
_exptl_absorpt_coefficient_mu    1.307
_exptl_absorpt_correction_T_max  0.8509
_exptl_absorpt_correction_T_min  0.7124
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Bruker, 1998)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_description       prism
_exptl_crystal_F_000             2692
_exptl_crystal_id                p03oa
_exptl_crystal_preparation
; 
The data crystal was mounted using oil (Parantone-N, Exxon) to a 
thin glass fiber with the (1 0 0) scattering planes roughly normal 
to the spindle axis. 
;
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9385
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0330P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0628
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                7910
_reflns_number_total             9385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0255104_s1_1.cif
_cod_data_source_block           p03oa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               4317901
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.453702(16) 0.086044(11) 0.037732(11) 0.01724(6) Uani 1 1 d . . .
Ru2 Ru 0.416161(15) 0.018697(11) -0.095444(10) 0.01711(6) Uani 1 1 d . . .
Ru3 Ru 0.607911(16) 0.051770(11) -0.027760(11) 0.01707(6) Uani 1 1 d . . .
S1 S 0.48079(5) 0.12860(3) -0.07110(3) 0.01920(15) Uani 1 1 d . . .
S2 S 0.62073(5) 0.09975(3) 0.08760(3) 0.01955(15) Uani 1 1 d . . .
S3 S 0.30104(5) 0.04286(3) -0.02532(3) 0.01910(15) Uani 1 1 d . . .
S4 S 0.43952(5) 0.01270(3) 0.13376(3) 0.01929(15) Uani 1 1 d . . .
P1 P 0.42678(5) 0.19363(4) 0.08034(4) 0.02020(16) Uani 1 1 d . . .
P2 P 0.31582(5) 0.05535(4) -0.19966(3) 0.01953(16) Uani 1 1 d . . .
P3 P 0.72675(5) 0.10985(4) -0.06913(4) 0.01953(16) Uani 1 1 d . . .
C1 C 0.4530(2) 0.20527(15) 0.17791(14) 0.0255(7) Uani 1 1 d . . .
C2 C 0.4227(3) 0.26431(18) 0.20781(17) 0.0447(9) Uani 1 1 d . . .
H2 H 0.3892 0.2989 0.1776 0.054 Uiso 1 1 calc R . .
C3 C 0.4408(3) 0.2733(2) 0.28092(18) 0.0582(11) Uani 1 1 d . . .
H3 H 0.4211 0.3142 0.3005 0.070 Uiso 1 1 calc R . .
C4 C 0.4874(3) 0.2227(2) 0.32524(16) 0.0496(10) Uani 1 1 d . . .
H4 H 0.4975 0.2281 0.3754 0.059 Uiso 1 1 calc R . .
C5 C 0.5194(2) 0.16468(18) 0.29718(16) 0.0377(8) Uani 1 1 d . . .
H5 H 0.5528 0.1304 0.3278 0.045 Uiso 1 1 calc R . .
C6 C 0.5026(2) 0.15613(16) 0.22310(15) 0.0289(7) Uani 1 1 d . . .
H6 H 0.5255 0.1162 0.2038 0.035 Uiso 1 1 calc R . .
C7 C 0.3062(2) 0.23315(14) 0.05418(13) 0.0226(6) Uani 1 1 d . . .
C8 C 0.2243(2) 0.19264(15) 0.04620(14) 0.0257(7) Uani 1 1 d . . .
H8 H 0.2310 0.1446 0.0529 0.031 Uiso 1 1 calc R . .
C9 C 0.1329(2) 0.22126(17) 0.02858(15) 0.0335(8) Uani 1 1 d . . .
H9 H 0.0773 0.1929 0.0229 0.040 Uiso 1 1 calc R . .
C10 C 0.1227(2) 0.29146(17) 0.01922(15) 0.0346(8) Uani 1 1 d . . .
H10 H 0.0600 0.3112 0.0073 0.042 Uiso 1 1 calc R . .
C11 C 0.2024(2) 0.33206(16) 0.02714(14) 0.0314(7) Uani 1 1 d . . .
H11 H 0.1951 0.3801 0.0206 0.038 Uiso 1 1 calc R . .
C12 C 0.2944(2) 0.30383(15) 0.04468(14) 0.0279(7) Uani 1 1 d . . .
H12 H 0.3496 0.3326 0.0503 0.034 Uiso 1 1 calc R . .
C13 C 0.5027(2) 0.25866(14) 0.05009(15) 0.0251(7) Uani 1 1 d . . .
C14 C 0.4790(2) 0.28132(14) -0.01994(15) 0.0298(7) Uani 1 1 d . . .
H14 H 0.4216 0.2652 -0.0506 0.036 Uiso 1 1 calc R . .
C15 C 0.5386(3) 0.32749(16) -0.04564(18) 0.0394(8) Uani 1 1 d . . .
H15 H 0.5215 0.3432 -0.0934 0.047 Uiso 1 1 calc R . .
C16 C 0.6222(3) 0.35012(18) -0.0015(2) 0.0485(10) Uani 1 1 d . . .
H16 H 0.6637 0.3808 -0.0192 0.058 Uiso 1 1 calc R . .
C17 C 0.6461(3) 0.32856(17) 0.0681(2) 0.0474(9) Uani 1 1 d . . .
H17 H 0.7035 0.3450 0.0985 0.057 Uiso 1 1 calc R . .
C18 C 0.5866(2) 0.28272(16) 0.09456(18) 0.0363(8) Uani 1 1 d . . .
H18 H 0.6034 0.2680 0.1427 0.044 Uiso 1 1 calc R . .
C19 C 0.1922(2) 0.02134(14) -0.22390(14) 0.0223(6) Uani 1 1 d . . .
C20 C 0.1781(2) -0.04933(15) -0.22353(15) 0.0297(7) Uani 1 1 d . . .
H20 H 0.2308 -0.0784 -0.2040 0.036 Uiso 1 1 calc R . .
C21 C 0.0886(2) -0.07746(17) -0.25119(16) 0.0366(8) Uani 1 1 d . . .
H21 H 0.0809 -0.1257 -0.2517 0.044 Uiso 1 1 calc R . .
C22 C 0.0105(2) -0.03644(18) -0.27794(17) 0.0386(8) Uani 1 1 d . . .
H22 H -0.0510 -0.0560 -0.2967 0.046 Uiso 1 1 calc R . .
C23 C 0.0227(2) 0.03379(18) -0.27713(18) 0.0405(8) Uani 1 1 d . . .
H23 H -0.0311 0.0626 -0.2947 0.049 Uiso 1 1 calc R . .
C24 C 0.1129(2) 0.06253(17) -0.25085(15) 0.0329(7) Uani 1 1 d . . .
H24 H 0.1205 0.1108 -0.2513 0.039 Uiso 1 1 calc R . .
C25 C 0.3580(2) 0.04152(14) -0.28306(14) 0.0233(6) Uani 1 1 d . . .
C26 C 0.3000(2) 0.01306(16) -0.34346(15) 0.0338(7) Uani 1 1 d . . .
H26 H 0.2358 -0.0005 -0.3424 0.041 Uiso 1 1 calc R . .
C27 C 0.3346(3) 0.00407(19) -0.40545(17) 0.0474(9) Uani 1 1 d . . .
H27 H 0.2940 -0.0152 -0.4464 0.057 Uiso 1 1 calc R . .
C28 C 0.4276(3) 0.02312(17) -0.40744(17) 0.0423(9) Uani 1 1 d . . .
H28 H 0.4515 0.0167 -0.4496 0.051 Uiso 1 1 calc R . .
C29 C 0.4862(2) 0.05159(16) -0.34774(16) 0.0349(8) Uani 1 1 d . . .
H29 H 0.5504 0.0649 -0.3490 0.042 Uiso 1 1 calc R . .
C30 C 0.4517(2) 0.06083(15) -0.28603(15) 0.0271(7) Uani 1 1 d . . .
H30 H 0.4925 0.0805 -0.2454 0.033 Uiso 1 1 calc R . .
C31 C 0.2924(2) 0.14788(14) -0.20136(13) 0.0216(6) Uani 1 1 d . . .
C32 C 0.2578(2) 0.17623(15) -0.14493(14) 0.0286(7) Uani 1 1 d . . .
H32 H 0.2490 0.1478 -0.1068 0.034 Uiso 1 1 calc R . .
C33 C 0.2361(2) 0.24546(16) -0.14375(15) 0.0325(7) Uani 1 1 d . . .
H33 H 0.2126 0.2641 -0.1050 0.039 Uiso 1 1 calc R . .
C34 C 0.2488(2) 0.28684(15) -0.19890(16) 0.0333(7) Uani 1 1 d . . .
H34 H 0.2345 0.3343 -0.1981 0.040 Uiso 1 1 calc R . .
C35 C 0.2822(2) 0.25964(16) -0.25514(17) 0.0365(8) Uani 1 1 d . . .
H35 H 0.2899 0.2883 -0.2935 0.044 Uiso 1 1 calc R . .
C36 C 0.3048(2) 0.19057(15) -0.25632(15) 0.0299(7) Uani 1 1 d . . .
H36 H 0.3289 0.1725 -0.2950 0.036 Uiso 1 1 calc R . .
C37 C 0.78687(19) 0.18137(14) -0.01559(14) 0.0222(6) Uani 1 1 d . . .
C38 C 0.8010(2) 0.24541(15) -0.04302(16) 0.0314(7) Uani 1 1 d . . .
H38 H 0.7735 0.2555 -0.0914 0.038 Uiso 1 1 calc R . .
C39 C 0.8551(2) 0.29490(17) 0.00001(18) 0.0392(8) Uani 1 1 d . . .
H39 H 0.8628 0.3391 -0.0187 0.047 Uiso 1 1 calc R . .
C40 C 0.8974(2) 0.27999(18) 0.06951(18) 0.0401(9) Uani 1 1 d . . .
H40 H 0.9343 0.3139 0.0987 0.048 Uiso 1 1 calc R . .
C41 C 0.8865(2) 0.21628(18) 0.09681(16) 0.0369(8) Uani 1 1 d . . .
H41 H 0.9177 0.2057 0.1444 0.044 Uiso 1 1 calc R . .
C42 C 0.8303(2) 0.16735(16) 0.05537(14) 0.0294(7) Uani 1 1 d . . .
H42 H 0.8212 0.1239 0.0752 0.035 Uiso 1 1 calc R . .
C43 C 0.6861(2) 0.14938(14) -0.15743(14) 0.0234(6) Uani 1 1 d . . .
C44 C 0.6180(2) 0.20201(15) -0.16469(15) 0.0280(7) Uani 1 1 d . . .
H44 H 0.5928 0.2159 -0.1248 0.034 Uiso 1 1 calc R . .
C45 C 0.5870(2) 0.23419(17) -0.22981(16) 0.0365(8) Uani 1 1 d . . .
H45 H 0.5410 0.2702 -0.2343 0.044 Uiso 1 1 calc R . .
C46 C 0.6229(3) 0.21401(18) -0.28818(16) 0.0435(9) Uani 1 1 d . . .
H46 H 0.6022 0.2364 -0.3327 0.052 Uiso 1 1 calc R . .
C47 C 0.6886(2) 0.16165(19) -0.28150(15) 0.0398(9) Uani 1 1 d . . .
H47 H 0.7126 0.1475 -0.3218 0.048 Uiso 1 1 calc R . .
C48 C 0.7205(2) 0.12890(16) -0.21639(14) 0.0298(7) Uani 1 1 d . . .
H48 H 0.7658 0.0925 -0.2125 0.036 Uiso 1 1 calc R . .
C49 C 0.8331(2) 0.06057(15) -0.08095(14) 0.0233(6) Uani 1 1 d . . .
C50 C 0.8234(2) -0.00751(15) -0.10212(15) 0.0304(7) Uani 1 1 d . . .
H50 H 0.7619 -0.0291 -0.1092 0.037 Uiso 1 1 calc R . .
C51 C 0.9035(3) -0.04441(17) -0.11302(16) 0.0379(8) Uani 1 1 d . . .
H51 H 0.8966 -0.0909 -0.1275 0.045 Uiso 1 1 calc R . .
C52 C 0.9927(2) -0.01302(19) -0.10264(17) 0.0433(9) Uani 1 1 d . . .
H52 H 1.0475 -0.0384 -0.1091 0.052 Uiso 1 1 calc R . .
C53 C 1.0030(2) 0.05466(19) -0.08302(17) 0.0405(8) Uani 1 1 d . . .
H53 H 1.0644 0.0762 -0.0767 0.049 Uiso 1 1 calc R . .
C54 C 0.9236(2) 0.09115(17) -0.07253(15) 0.0312(7) Uani 1 1 d . . .
H54 H 0.9309 0.1380 -0.0593 0.037 Uiso 1 1 calc R . .
Cl1 Cl 0.24577(9) 0.13539(6) 0.27619(7) 0.0808(4) Uani 1 1 d . . .
Cl2 Cl 0.27381(11) 0.01840(7) 0.36983(8) 0.0972(5) Uani 1 1 d . . .
C55 C 0.3037(3) 0.0580(2) 0.2963(2) 0.0727(13) Uani 1 1 d . . .
H55A H 0.3744 0.0654 0.3057 0.087 Uiso 1 1 calc R . .
H55B H 0.2863 0.0272 0.2546 0.087 Uiso 1 1 calc R . .
Cl3 Cl 0.9253(5) 0.0264(4) 0.5334(2) 0.0728(16) Uani 0.50 1 d PDU . .
Cl4 Cl 1.0897(5) -0.0312(4) 0.4896(4) 0.118(2) Uani 0.50 1 d PDU . .
C56 C 0.9717(6) -0.0011(4) 0.4598(3) 0.059(2) Uani 0.50 1 d PDU . .
H56A H 0.9305 -0.0380 0.4343 0.071 Uiso 0.50 1 calc PR . .
H56B H 0.9717 0.0374 0.4263 0.071 Uiso 0.50 1 calc PR . .
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'
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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -2.00 -1.00 0.0500
0.00 1.00 1.00 0.0800
0.00 1.00 -1.00 0.1300
0.00 -1.00 1.00 0.1300
-1.00 0.00 1.00 0.1200
1.00 0.00 -1.00 0.1200
1.00 1.00 0.00 0.1200
1.00 0.00 0.00 0.1950
-1.00 0.00 0.00 0.1950
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
P1 Ru1 S1 93.60(4) . . ?
P1 Ru1 S2 88.77(3) . . ?
S1 Ru1 S2 89.11(3) . . ?
P1 Ru1 S4 103.05(4) . . ?
S1 Ru1 S4 163.27(3) . . ?
S2 Ru1 S4 89.67(3) . . ?
P1 Ru1 S3 107.50(3) . . ?
S1 Ru1 S3 88.46(4) . . ?
S2 Ru1 S3 163.67(3) . . ?
S4 Ru1 S3 88.04(3) . . ?
P1 Ru1 Ru3 125.00(2) . . ?
S1 Ru1 Ru3 53.26(2) . . ?
S2 Ru1 Ru3 53.72(3) . . ?
S4 Ru1 Ru3 113.76(3) . . ?
S3 Ru1 Ru3 112.97(4) . . ?
P1 Ru1 Ru2 131.47(3) . 3_655 ?
S1 Ru1 Ru2 113.00(3) . 3_655 ?
S2 Ru1 Ru2 53.87(3) . 3_655 ?
S4 Ru1 Ru2 53.98(3) . 3_655 ?
S3 Ru1 Ru2 112.79(4) . 3_655 ?
Ru3 Ru1 Ru2 60.04(3) . 3_655 ?
P1 Ru1 Ru3 144.88(3) . 3_655 ?
S1 Ru1 Ru3 112.45(2) . 3_655 ?
S2 Ru1 Ru3 113.71(2) . 3_655 ?
S4 Ru1 Ru3 53.33(3) . 3_655 ?
S3 Ru1 Ru3 52.958(17) . 3_655 ?
Ru3 Ru1 Ru3 89.99(2) . 3_655 ?
Ru2 Ru1 Ru3 60.06(3) 3_655 3_655 ?
P1 Ru1 Ru2 136.80(2) . . ?
S1 Ru1 Ru2 52.80(3) . . ?
S2 Ru1 Ru2 113.57(2) . . ?
S4 Ru1 Ru2 113.04(4) . . ?
S3 Ru1 Ru2 53.18(2) . . ?
Ru3 Ru1 Ru2 60.05(2) . . ?
Ru2 Ru1 Ru2 90.04(3) 3_655 . ?
Ru3 Ru1 Ru2 59.883(17) 3_655 . ?
P2 Ru2 S1 91.80(3) . . ?
P2 Ru2 S3 93.49(4) . . ?
S1 Ru2 S3 89.41(3) . . ?
P2 Ru2 S2 104.66(3) . 3_655 ?
S1 Ru2 S2 163.49(3) . 3_655 ?
S3 Ru2 S2 88.38(3) . 3_655 ?
P2 Ru2 S4 102.77(4) . 3_655 ?
S1 Ru2 S4 88.53(3) . 3_655 ?
S3 Ru2 S4 163.67(2) . 3_655 ?
S2 Ru2 S4 89.01(3) 3_655 3_655 ?
P2 Ru2 Ru1 142.83(2) . 3_655 ?
S1 Ru2 Ru1 113.09(4) . 3_655 ?
S3 Ru2 Ru1 113.01(3) . 3_655 ?
S2 Ru2 Ru1 53.40(3) 3_655 3_655 ?
S4 Ru2 Ru1 53.55(3) 3_655 3_655 ?
P2 Ru2 Ru3 135.89(3) . 3_655 ?
S1 Ru2 Ru3 113.02(3) . 3_655 ?
S3 Ru2 Ru3 53.21(3) . 3_655 ?
S2 Ru2 Ru3 53.58(2) 3_655 3_655 ?
S4 Ru2 Ru3 113.26(2) 3_655 3_655 ?
Ru1 Ru2 Ru3 59.97(2) 3_655 3_655 ?
P2 Ru2 Ru3 133.08(2) . . ?
S1 Ru2 Ru3 53.261(19) . . ?
S3 Ru2 Ru3 113.62(4) . . ?
S2 Ru2 Ru3 113.245(19) 3_655 . ?
S4 Ru2 Ru3 53.23(3) 3_655 . ?
Ru1 Ru2 Ru3 60.07(3) 3_655 . ?
Ru3 Ru2 Ru3 89.95(2) 3_655 . ?
P2 Ru2 Ru1 127.17(3) . . ?
S1 Ru2 Ru1 53.23(2) . . ?
S3 Ru2 Ru1 54.05(3) . . ?
S2 Ru2 Ru1 113.36(3) 3_655 . ?
S4 Ru2 Ru1 112.86(3) 3_655 . ?
Ru1 Ru2 Ru1 89.96(3) 3_655 . ?
Ru3 Ru2 Ru1 60.02(3) 3_655 . ?
Ru3 Ru2 Ru1 59.837(14) . . ?
P3 Ru3 S1 97.00(4) . . ?
P3 Ru3 S3 99.43(4) . 3_655 ?
S1 Ru3 S3 163.52(3) . 3_655 ?
P3 Ru3 S4 93.47(4) . 3_655 ?
S1 Ru3 S4 88.75(3) . 3_655 ?
S3 Ru3 S4 89.13(4) 3_655 3_655 ?
P3 Ru3 S2 102.08(3) . . ?
S1 Ru3 S2 88.91(3) . . ?
S3 Ru3 S2 88.77(4) 3_655 . ?
S4 Ru3 S2 164.44(3) 3_655 . ?
P3 Ru3 Ru1 136.57(3) . . ?
S1 Ru3 Ru1 53.25(3) . . ?
S3 Ru3 Ru1 113.36(3) 3_655 . ?
S4 Ru3 Ru1 113.87(3) 3_655 . ?
S2 Ru3 Ru1 53.45(3) . . ?
P3 Ru3 Ru2 139.10(2) . 3_655 ?
S1 Ru3 Ru2 112.95(3) . 3_655 ?
S3 Ru3 Ru2 53.54(2) 3_655 3_655 ?
S4 Ru3 Ru2 113.56(4) 3_655 3_655 ?
S2 Ru3 Ru2 53.79(4) . 3_655 ?
Ru1 Ru3 Ru2 59.99(2) . 3_655 ?
P3 Ru3 Ru2 130.79(3) . . ?
S1 Ru3 Ru2 52.83(3) . . ?
S3 Ru3 Ru2 113.79(3) 3_655 . ?
S4 Ru3 Ru2 53.97(2) 3_655 . ?
S2 Ru3 Ru2 113.37(2) . . ?
Ru1 Ru3 Ru2 60.12(3) . . ?
Ru2 Ru3 Ru2 90.05(2) 3_655 . ?
P3 Ru3 Ru1 133.11(2) . 3_655 ?
S1 Ru3 Ru1 112.47(4) . 3_655 ?
S3 Ru3 Ru1 54.16(3) 3_655 3_655 ?
S4 Ru3 Ru1 53.63(2) 3_655 3_655 ?
S2 Ru3 Ru1 113.64(2) . 3_655 ?
Ru1 Ru3 Ru1 90.01(2) . 3_655 ?
Ru2 Ru3 Ru1 60.09(2) 3_655 3_655 ?
Ru2 Ru3 Ru1 59.870(8) . 3_655 ?
Ru2 S1 Ru3 73.91(4) . . ?
Ru2 S1 Ru1 73.98(3) . . ?
Ru3 S1 Ru1 73.49(3) . . ?
Ru1 S2 Ru3 72.83(2) . . ?
Ru1 S2 Ru2 72.73(2) . 3_655 ?
Ru3 S2 Ru2 72.63(3) . 3_655 ?
Ru3 S3 Ru2 73.25(3) 3_655 . ?
Ru3 S3 Ru1 72.89(4) 3_655 . ?
Ru2 S3 Ru1 72.77(4) . . ?
Ru3 S4 Ru1 73.04(4) 3_655 . ?
Ru3 S4 Ru2 72.80(3) 3_655 3_655 ?
Ru1 S4 Ru2 72.47(3) . 3_655 ?
C13 P1 C7 101.14(14) . . ?
C13 P1 C1 103.32(13) . . ?
C7 P1 C1 101.65(12) . . ?
C13 P1 Ru1 111.45(9) . . ?
C7 P1 Ru1 119.70(9) . . ?
C1 P1 Ru1 117.23(10) . . ?
C19 P2 C31 101.15(13) . . ?
C19 P2 C25 101.02(13) . . ?
C31 P2 C25 102.65(12) . . ?
C19 P2 Ru2 119.06(9) . . ?
C31 P2 Ru2 113.32(9) . . ?
C25 P2 Ru2 117.11(10) . . ?
C37 P3 C49 100.01(13) . . ?
C37 P3 C43 102.42(13) . . ?
C49 P3 C43 102.17(13) . . ?
C37 P3 Ru3 117.87(9) . . ?
C49 P3 Ru3 117.34(10) . . ?
C43 P3 Ru3 114.52(9) . . ?
C6 C1 C2 118.3(3) . . ?
C6 C1 P1 121.3(2) . . ?
C2 C1 P1 120.4(2) . . ?
C3 C2 C1 121.0(3) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.6(3) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C12 118.4(3) . . ?
C8 C7 P1 119.7(2) . . ?
C12 C7 P1 121.8(2) . . ?
C9 C8 C7 120.8(3) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 119.9(3) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.5(3) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
C18 C13 C14 119.3(3) . . ?
C18 C13 P1 121.3(2) . . ?
C14 C13 P1 119.3(2) . . ?
C13 C14 C15 120.6(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.3(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 120.5(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 119.7(3) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C24 C19 C20 118.1(3) . . ?
C24 C19 P2 122.4(2) . . ?
C20 C19 P2 119.1(2) . . ?
C21 C20 C19 120.8(3) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 120.8(3) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 119.1(3) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C22 C23 C24 120.6(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 120.6(3) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
C26 C25 C30 118.4(3) . . ?
C26 C25 P2 122.9(2) . . ?
C30 C25 P2 118.8(2) . . ?
C25 C26 C27 120.9(3) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 120.1(3) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 119.7(3) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C30 120.4(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C25 120.6(3) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C36 C31 C32 118.4(3) . . ?
C36 C31 P2 123.7(2) . . ?
C32 C31 P2 117.9(2) . . ?
C33 C32 C31 121.0(3) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C34 C33 C32 119.7(3) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.1(3) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 120.5(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 120.4(3) . . ?
C31 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C38 C37 C42 118.5(3) . . ?
C38 C37 P3 124.1(2) . . ?
C42 C37 P3 117.0(2) . . ?
C37 C38 C39 120.4(3) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C40 C39 C38 120.1(3) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 C39 120.2(3) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 120.3(3) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C37 120.4(3) . . ?
C41 C42 H42 119.8 . . ?
C37 C42 H42 119.8 . . ?
C48 C43 C44 119.1(3) . . ?
C48 C43 P3 122.5(2) . . ?
C44 C43 P3 118.4(2) . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C46 C45 C44 120.1(3) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C47 C46 C45 119.7(3) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C46 C47 C48 120.8(3) . . ?
C46 C47 H47 119.6 . . ?
C48 C47 H47 119.6 . . ?
C43 C48 C47 120.0(3) . . ?
C43 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C50 C49 C54 118.5(3) . . ?
C50 C49 P3 120.3(2) . . ?
C54 C49 P3 121.1(2) . . ?
C49 C50 C51 120.4(3) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C52 C51 C50 119.7(3) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C53 C52 C51 120.6(3) . . ?
C53 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C52 C53 C54 119.6(3) . . ?
C52 C53 H53 120.2 . . ?
C54 C53 H53 120.2 . . ?
C53 C54 C49 121.2(3) . . ?
C53 C54 H54 119.4 . . ?
C49 C54 H54 119.4 . . ?
Cl1 C55 Cl2 112.8(2) . . ?
Cl1 C55 H55A 109.0 . . ?
Cl2 C55 H55A 109.0 . . ?
Cl1 C55 H55B 109.0 . . ?
Cl2 C55 H55B 109.0 . . ?
H55A C55 H55B 107.8 . . ?
Cl4 C56 Cl3 109.3(4) . . ?
Cl4 C56 H56A 109.8 . . ?
Cl3 C56 H56A 109.8 . . ?
Cl4 C56 H56B 109.8 . . ?
Cl3 C56 H56B 109.8 . . ?
H56A C56 H56B 108.3 . . ?
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 P1 2.3172(12) . ?
Ru1 S1 2.3562(12) . ?
Ru1 S2 2.3705(13) . ?
Ru1 S4 2.3785(11) . ?
Ru1 S3 2.3963(12) . ?
Ru1 Ru3 2.8193(11) . ?
Ru1 Ru2 2.8197(10) 3_655 ?
Ru1 Ru3 2.8253(13) 3_655 ?
Ru1 Ru2 2.8273(12) . ?
Ru2 P2 2.3114(11) . ?
Ru2 S1 2.3430(12) . ?
Ru2 S3 2.3697(11) . ?
Ru2 S2 2.3850(13) 3_655 ?
Ru2 S4 2.3917(12) 3_655 ?
Ru2 Ru1 2.8197(10) 3_655 ?
Ru2 Ru3 2.8213(11) 3_655 ?
Ru2 Ru3 2.8252(12) . ?
Ru3 P3 2.3043(11) . ?
Ru3 S1 2.3563(11) . ?
Ru3 S3 2.3596(11) 3_655 ?
Ru3 S4 2.3691(11) 3_655 ?
Ru3 S2 2.3787(12) . ?
Ru3 Ru2 2.8213(11) 3_655 ?
Ru3 Ru1 2.8253(13) 3_655 ?
S2 Ru2 2.3850(13) 3_655 ?
S3 Ru3 2.3596(11) 3_655 ?
S4 Ru3 2.3691(11) 3_655 ?
S4 Ru2 2.3917(12) 3_655 ?
P1 C13 1.836(3) . ?
P1 C7 1.843(3) . ?
P1 C1 1.847(3) . ?
P2 C19 1.836(3) . ?
P2 C31 1.838(3) . ?
P2 C25 1.844(3) . ?
P3 C37 1.835(3) . ?
P3 C49 1.840(3) . ?
P3 C43 1.843(3) . ?
C1 C6 1.383(4) . ?
C1 C2 1.396(4) . ?
C2 C3 1.385(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.378(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.373(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.403(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.385(4) . ?
C7 C12 1.399(4) . ?
C8 C9 1.383(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.361(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.390(4) . ?
C13 C14 1.389(4) . ?
C14 C15 1.394(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.376(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.376(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.396(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.389(4) . ?
C19 C20 1.396(4) . ?
C20 C21 1.381(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.374(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.389(4) . ?
C25 C30 1.391(4) . ?
C26 C27 1.391(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.386(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.386(4) . ?
C31 C32 1.395(4) . ?
C32 C33 1.389(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.375(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.374(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.389(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.389(4) . ?
C37 C42 1.400(4) . ?
C38 C39 1.393(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.375(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.373(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.384(4) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.383(4) . ?
C43 C44 1.396(4) . ?
C44 C45 1.387(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.383(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.369(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.393(4) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.390(4) . ?
C49 C54 1.391(4) . ?
C50 C51 1.396(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.379(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.375(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.381(4) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
Cl1 C55 1.725(4) . ?
Cl2 C55 1.739(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
Cl3 C56 1.764(7) . ?
Cl4 C56 1.749(7) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Ru1 Ru2 P2 -12.71(4) . . . . ?
S1 Ru1 Ru2 P2 -58.84(4) . . . . ?
S2 Ru1 Ru2 P2 -128.20(3) . . . . ?
S4 Ru1 Ru2 P2 131.51(4) . . . . ?
S3 Ru1 Ru2 P2 62.90(4) . . . . ?
Ru3 Ru1 Ru2 P2 -123.41(3) . . . . ?
Ru2 Ru1 Ru2 P2 -178.19(3) 3_655 . . . ?
Ru3 Ru1 Ru2 P2 127.07(4) 3_655 . . . ?
P1 Ru1 Ru2 S1 46.13(4) . . . . ?
S2 Ru1 Ru2 S1 -69.36(3) . . . . ?
S4 Ru1 Ru2 S1 -169.65(3) . . . . ?
S3 Ru1 Ru2 S1 121.74(3) . . . . ?
Ru3 Ru1 Ru2 S1 -64.57(3) . . . . ?
Ru2 Ru1 Ru2 S1 -119.35(4) 3_655 . . . ?
Ru3 Ru1 Ru2 S1 -174.09(2) 3_655 . . . ?
P1 Ru1 Ru2 S3 -75.61(4) . . . . ?
S1 Ru1 Ru2 S3 -121.74(3) . . . . ?
S2 Ru1 Ru2 S3 168.90(3) . . . . ?
S4 Ru1 Ru2 S3 68.61(3) . . . . ?
Ru3 Ru1 Ru2 S3 173.69(2) . . . . ?
Ru2 Ru1 Ru2 S3 118.91(3) 3_655 . . . ?
Ru3 Ru1 Ru2 S3 64.17(2) 3_655 . . . ?
P1 Ru1 Ru2 S2 -145.05(4) . . . 3_655 ?
S1 Ru1 Ru2 S2 168.82(3) . . . 3_655 ?
S2 Ru1 Ru2 S2 99.46(3) . . . 3_655 ?
S4 Ru1 Ru2 S2 -0.83(3) . . . 3_655 ?
S3 Ru1 Ru2 S2 -69.44(3) . . . 3_655 ?
Ru3 Ru1 Ru2 S2 104.25(2) . . . 3_655 ?
Ru2 Ru1 Ru2 S2 49.47(3) 3_655 . . 3_655 ?
Ru3 Ru1 Ru2 S2 -5.26(2) 3_655 . . 3_655 ?
P1 Ru1 Ru2 S4 115.65(4) . . . 3_655 ?
S1 Ru1 Ru2 S4 69.52(3) . . . 3_655 ?
S2 Ru1 Ru2 S4 0.16(3) . . . 3_655 ?
S4 Ru1 Ru2 S4 -100.13(3) . . . 3_655 ?
S3 Ru1 Ru2 S4 -168.74(3) . . . 3_655 ?
Ru3 Ru1 Ru2 S4 4.947(19) . . . 3_655 ?
Ru2 Ru1 Ru2 S4 -49.83(2) 3_655 . . 3_655 ?
Ru3 Ru1 Ru2 S4 -104.57(2) 3_655 . . 3_655 ?
P1 Ru1 Ru2 Ru1 165.48(3) . . . 3_655 ?
S1 Ru1 Ru2 Ru1 119.35(4) . . . 3_655 ?
S2 Ru1 Ru2 Ru1 49.99(3) . . . 3_655 ?
S4 Ru1 Ru2 Ru1 -50.30(3) . . . 3_655 ?
S3 Ru1 Ru2 Ru1 -118.91(3) . . . 3_655 ?
Ru3 Ru1 Ru2 Ru1 54.78(2) . . . 3_655 ?
Ru2 Ru1 Ru2 Ru1 0.0 3_655 . . 3_655 ?
Ru3 Ru1 Ru2 Ru1 -54.74(3) 3_655 . . 3_655 ?
P1 Ru1 Ru2 Ru3 -139.78(4) . . . 3_655 ?
S1 Ru1 Ru2 Ru3 174.09(2) . . . 3_655 ?
S2 Ru1 Ru2 Ru3 104.73(2) . . . 3_655 ?
S4 Ru1 Ru2 Ru3 4.44(2) . . . 3_655 ?
S3 Ru1 Ru2 Ru3 -64.17(2) . . . 3_655 ?
Ru3 Ru1 Ru2 Ru3 109.515(13) . . . 3_655 ?
Ru2 Ru1 Ru2 Ru3 54.74(3) 3_655 . . 3_655 ?
P1 Ru1 Ru2 Ru3 110.70(3) . . . . ?
S1 Ru1 Ru2 Ru3 64.57(3) . . . . ?
S2 Ru1 Ru2 Ru3 -4.790(19) . . . . ?
S4 Ru1 Ru2 Ru3 -105.08(2) . . . . ?
S3 Ru1 Ru2 Ru3 -173.69(2) . . . . ?
Ru2 Ru1 Ru2 Ru3 -54.78(2) 3_655 . . . ?
Ru3 Ru1 Ru2 Ru3 -109.515(13) 3_655 . . . ?
P1 Ru1 Ru3 P3 -9.29(4) . . . . ?
S1 Ru1 Ru3 P3 55.43(4) . . . . ?
S2 Ru1 Ru3 P3 -66.17(4) . . . . ?
S4 Ru1 Ru3 P3 -136.84(4) . . . . ?
S3 Ru1 Ru3 P3 124.77(4) . . . . ?
Ru2 Ru1 Ru3 P3 -131.26(3) 3_655 . . . ?
Ru3 Ru1 Ru3 P3 173.90(3) 3_655 . . . ?
Ru2 Ru1 Ru3 P3 119.28(3) . . . . ?
P1 Ru1 Ru3 S1 -64.72(4) . . . . ?
S2 Ru1 Ru3 S1 -121.59(4) . . . . ?
S4 Ru1 Ru3 S1 167.74(3) . . . . ?
S3 Ru1 Ru3 S1 69.34(4) . . . . ?
Ru2 Ru1 Ru3 S1 173.31(2) 3_655 . . . ?
Ru3 Ru1 Ru3 S1 118.47(3) 3_655 . . . ?
Ru2 Ru1 Ru3 S1 63.86(4) . . . . ?
P1 Ru1 Ru3 S3 126.43(4) . . . 3_655 ?
S1 Ru1 Ru3 S3 -168.85(3) . . . 3_655 ?
S2 Ru1 Ru3 S3 69.56(4) . . . 3_655 ?
S4 Ru1 Ru3 S3 -1.11(3) . . . 3_655 ?
S3 Ru1 Ru3 S3 -99.50(4) . . . 3_655 ?
Ru2 Ru1 Ru3 S3 4.46(2) 3_655 . . 3_655 ?
Ru3 Ru1 Ru3 S3 -50.37(3) 3_655 . . 3_655 ?
Ru2 Ru1 Ru3 S3 -104.99(4) . . . 3_655 ?
P1 Ru1 Ru3 S4 -133.61(3) . . . 3_655 ?
S1 Ru1 Ru3 S4 -68.89(4) . . . 3_655 ?
S2 Ru1 Ru3 S4 169.52(3) . . . 3_655 ?
S4 Ru1 Ru3 S4 98.85(4) . . . 3_655 ?
S3 Ru1 Ru3 S4 0.45(3) . . . 3_655 ?
Ru2 Ru1 Ru3 S4 104.42(4) 3_655 . . 3_655 ?
Ru3 Ru1 Ru3 S4 49.59(2) 3_655 . . 3_655 ?
Ru2 Ru1 Ru3 S4 -5.033(19) . . . 3_655 ?
P1 Ru1 Ru3 S2 56.87(3) . . . . ?
S1 Ru1 Ru3 S2 121.59(4) . . . . ?
S4 Ru1 Ru3 S2 -70.67(4) . . . . ?
S3 Ru1 Ru3 S2 -169.07(3) . . . . ?
Ru2 Ru1 Ru3 S2 -65.10(4) 3_655 . . . ?
Ru3 Ru1 Ru3 S2 -119.93(2) 3_655 . . . ?
Ru2 Ru1 Ru3 S2 -174.55(2) . . . . ?
P1 Ru1 Ru3 Ru2 121.97(3) . . . 3_655 ?
S1 Ru1 Ru3 Ru2 -173.31(2) . . . 3_655 ?
S2 Ru1 Ru3 Ru2 65.10(4) . . . 3_655 ?
S4 Ru1 Ru3 Ru2 -5.575(19) . . . 3_655 ?
S3 Ru1 Ru3 Ru2 -103.97(4) . . . 3_655 ?
Ru3 Ru1 Ru3 Ru2 -54.84(2) 3_655 . . 3_655 ?
Ru2 Ru1 Ru3 Ru2 -109.46(3) . . . 3_655 ?
P1 Ru1 Ru3 Ru2 -128.58(3) . . . . ?
S1 Ru1 Ru3 Ru2 -63.86(4) . . . . ?
S2 Ru1 Ru3 Ru2 174.55(2) . . . . ?
S4 Ru1 Ru3 Ru2 103.88(4) . . . . ?
S3 Ru1 Ru3 Ru2 5.487(19) . . . . ?
Ru2 Ru1 Ru3 Ru2 109.46(3) 3_655 . . . ?
Ru3 Ru1 Ru3 Ru2 54.618(13) 3_655 . . . ?
P1 Ru1 Ru3 Ru1 176.81(3) . . . 3_655 ?
S1 Ru1 Ru3 Ru1 -118.47(3) . . . 3_655 ?
S2 Ru1 Ru3 Ru1 119.93(2) . . . 3_655 ?
S4 Ru1 Ru3 Ru1 49.26(3) . . . 3_655 ?
S3 Ru1 Ru3 Ru1 -49.13(2) . . . 3_655 ?
Ru2 Ru1 Ru3 Ru1 54.84(2) 3_655 . . 3_655 ?
Ru3 Ru1 Ru3 Ru1 0.0 3_655 . . 3_655 ?
Ru2 Ru1 Ru3 Ru1 -54.618(13) . . . 3_655 ?
P2 Ru2 Ru3 P3 -13.22(4) . . . . ?
S1 Ru2 Ru3 P3 -63.11(4) . . . . ?
S3 Ru2 Ru3 P3 -133.20(4) . . . . ?
S2 Ru2 Ru3 P3 127.92(3) 3_655 . . . ?
S4 Ru2 Ru3 P3 58.06(5) 3_655 . . . ?
Ru1 Ru2 Ru3 P3 122.88(3) 3_655 . . . ?
Ru3 Ru2 Ru3 P3 177.64(3) 3_655 . . . ?
Ru1 Ru2 Ru3 P3 -127.63(4) . . . . ?
P2 Ru2 Ru3 S1 49.89(4) . . . . ?
S3 Ru2 Ru3 S1 -70.09(3) . . . . ?
S2 Ru2 Ru3 S1 -168.97(3) 3_655 . . . ?
S4 Ru2 Ru3 S1 121.18(3) 3_655 . . . ?
Ru1 Ru2 Ru3 S1 -174.01(2) 3_655 . . . ?
Ru3 Ru2 Ru3 S1 -119.25(3) 3_655 . . . ?
Ru1 Ru2 Ru3 S1 -64.52(3) . . . . ?
P2 Ru2 Ru3 S3 -141.33(3) . . . 3_655 ?
S1 Ru2 Ru3 S3 168.78(3) . . . 3_655 ?
S3 Ru2 Ru3 S3 98.69(3) . . . 3_655 ?
S2 Ru2 Ru3 S3 -0.19(3) 3_655 . . 3_655 ?
S4 Ru2 Ru3 S3 -70.04(4) 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 S3 -5.232(18) 3_655 . . 3_655 ?
Ru3 Ru2 Ru3 S3 49.53(2) 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 S3 104.26(3) . . . 3_655 ?
P2 Ru2 Ru3 S4 -71.28(5) . . . 3_655 ?
S1 Ru2 Ru3 S4 -121.18(3) . . . 3_655 ?
S3 Ru2 Ru3 S4 168.73(3) . . . 3_655 ?
S2 Ru2 Ru3 S4 69.85(4) 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 S4 64.81(3) 3_655 . . 3_655 ?
Ru3 Ru2 Ru3 S4 119.57(4) 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 S4 174.31(2) . . . 3_655 ?
P2 Ru2 Ru3 S2 119.18(4) . . . . ?
S1 Ru2 Ru3 S2 69.28(3) . . . . ?
S3 Ru2 Ru3 S2 -0.81(3) . . . . ?
S2 Ru2 Ru3 S2 -99.69(3) 3_655 . . . ?
S4 Ru2 Ru3 S2 -169.54(3) 3_655 . . . ?
Ru1 Ru2 Ru3 S2 -104.73(3) 3_655 . . . ?
Ru3 Ru2 Ru3 S2 -49.97(3) 3_655 . . . ?
Ru1 Ru2 Ru3 S2 4.766(19) . . . . ?
P2 Ru2 Ru3 Ru1 114.41(4) . . . . ?
S1 Ru2 Ru3 Ru1 64.52(3) . . . . ?
S3 Ru2 Ru3 Ru1 -5.58(2) . . . . ?
S2 Ru2 Ru3 Ru1 -104.45(3) 3_655 . . . ?
S4 Ru2 Ru3 Ru1 -174.31(2) 3_655 . . . ?
Ru1 Ru2 Ru3 Ru1 -109.50(2) 3_655 . . . ?
Ru3 Ru2 Ru3 Ru1 -54.73(3) 3_655 . . . ?
P2 Ru2 Ru3 Ru2 169.14(3) . . . 3_655 ?
S1 Ru2 Ru3 Ru2 119.25(3) . . . 3_655 ?
S3 Ru2 Ru3 Ru2 49.16(3) . . . 3_655 ?
S2 Ru2 Ru3 Ru2 -49.72(2) 3_655 . . 3_655 ?
S4 Ru2 Ru3 Ru2 -119.57(4) 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 Ru2 -54.763(13) 3_655 . . 3_655 ?
Ru3 Ru2 Ru3 Ru2 0.0 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 Ru2 54.73(3) . . . 3_655 ?
P2 Ru2 Ru3 Ru1 -136.09(3) . . . 3_655 ?
S1 Ru2 Ru3 Ru1 174.01(2) . . . 3_655 ?
S3 Ru2 Ru3 Ru1 103.92(3) . . . 3_655 ?
S2 Ru2 Ru3 Ru1 5.041(18) 3_655 . . 3_655 ?
S4 Ru2 Ru3 Ru1 -64.81(3) 3_655 . . 3_655 ?
Ru3 Ru2 Ru3 Ru1 54.763(13) 3_655 . . 3_655 ?
Ru1 Ru2 Ru3 Ru1 109.50(2) . . . 3_655 ?
P2 Ru2 S1 Ru3 -146.02(2) . . . . ?
S3 Ru2 S1 Ru3 120.51(4) . . . . ?
S2 Ru2 S1 Ru3 38.22(9) 3_655 . . . ?
S4 Ru2 S1 Ru3 -43.28(3) 3_655 . . . ?
Ru1 Ru2 S1 Ru3 5.64(2) 3_655 . . . ?
Ru3 Ru2 S1 Ru3 71.44(2) 3_655 . . . ?
Ru1 Ru2 S1 Ru3 77.00(3) . . . . ?
P2 Ru2 S1 Ru1 136.98(3) . . . . ?
S3 Ru2 S1 Ru1 43.51(3) . . . . ?
S2 Ru2 S1 Ru1 -38.78(9) 3_655 . . . ?
S4 Ru2 S1 Ru1 -120.29(2) 3_655 . . . ?
Ru1 Ru2 S1 Ru1 -71.36(3) 3_655 . . . ?
Ru3 Ru2 S1 Ru1 -5.56(2) 3_655 . . . ?
Ru3 Ru2 S1 Ru1 -77.00(3) . . . . ?
P3 Ru3 S1 Ru2 137.13(3) . . . . ?
S3 Ru3 S1 Ru2 -38.88(9) 3_655 . . . ?
S4 Ru3 S1 Ru2 43.79(2) 3_655 . . . ?
S2 Ru3 S1 Ru2 -120.83(2) . . . . ?
Ru1 Ru3 S1 Ru2 -77.63(3) . . . . ?
Ru2 Ru3 S1 Ru2 -71.35(3) 3_655 . . . ?
Ru1 Ru3 S1 Ru2 -5.60(2) 3_655 . . . ?
P3 Ru3 S1 Ru1 -145.23(2) . . . . ?
S3 Ru3 S1 Ru1 38.76(9) 3_655 . . . ?
S4 Ru3 S1 Ru1 121.43(4) 3_655 . . . ?
S2 Ru3 S1 Ru1 -43.19(3) . . . . ?
Ru2 Ru3 S1 Ru1 6.29(2) 3_655 . . . ?
Ru2 Ru3 S1 Ru1 77.63(3) . . . . ?
Ru1 Ru3 S1 Ru1 72.03(3) 3_655 . . . ?
P1 Ru1 S1 Ru2 -150.36(3) . . . . ?
S2 Ru1 S1 Ru2 120.92(2) . . . . ?
S4 Ru1 S1 Ru2 35.06(10) . . . . ?
S3 Ru1 S1 Ru2 -42.93(2) . . . . ?
Ru3 Ru1 S1 Ru2 77.55(3) . . . . ?
Ru2 Ru1 S1 Ru2 71.25(4) 3_655 . . . ?
Ru3 Ru1 S1 Ru2 5.53(2) 3_655 . . . ?
P1 Ru1 S1 Ru3 132.09(3) . . . . ?
S2 Ru1 S1 Ru3 43.37(3) . . . . ?
S4 Ru1 S1 Ru3 -42.49(9) . . . . ?
S3 Ru1 S1 Ru3 -120.47(4) . . . . ?
Ru2 Ru1 S1 Ru3 -6.29(2) 3_655 . . . ?
Ru3 Ru1 S1 Ru3 -72.02(3) 3_655 . . . ?
Ru2 Ru1 S1 Ru3 -77.55(3) . . . . ?
P1 Ru1 S2 Ru3 -136.68(2) . . . . ?
S1 Ru1 S2 Ru3 -43.05(3) . . . . ?
S4 Ru1 S2 Ru3 120.27(4) . . . . ?
S3 Ru1 S2 Ru3 38.39(9) . . . . ?
Ru2 Ru1 S2 Ru3 76.64(3) 3_655 . . . ?
Ru3 Ru1 S2 Ru3 71.17(2) 3_655 . . . ?
Ru2 Ru1 S2 Ru3 5.15(2) . . . . ?
P1 Ru1 S2 Ru2 146.69(3) . . . 3_655 ?
S1 Ru1 S2 Ru2 -119.69(2) . . . 3_655 ?
S4 Ru1 S2 Ru2 43.63(2) . . . 3_655 ?
S3 Ru1 S2 Ru2 -38.25(9) . . . 3_655 ?
Ru3 Ru1 S2 Ru2 -76.64(3) . . . 3_655 ?
Ru3 Ru1 S2 Ru2 -5.46(2) 3_655 . . 3_655 ?
Ru2 Ru1 S2 Ru2 -71.49(3) . . . 3_655 ?
P3 Ru3 S2 Ru1 139.98(3) . . . . ?
S1 Ru3 S2 Ru1 43.05(3) . . . . ?
S3 Ru3 S2 Ru1 -120.63(3) 3_655 . . . ?
S4 Ru3 S2 Ru1 -38.33(10) 3_655 . . . ?
Ru2 Ru3 S2 Ru1 -76.766(19) 3_655 . . . ?
Ru2 Ru3 S2 Ru1 -5.14(2) . . . . ?
Ru1 Ru3 S2 Ru1 -71.08(2) 3_655 . . . ?
P3 Ru3 S2 Ru2 -143.25(3) . . . 3_655 ?
S1 Ru3 S2 Ru2 119.82(4) . . . 3_655 ?
S3 Ru3 S2 Ru2 -43.87(3) 3_655 . . 3_655 ?
S4 Ru3 S2 Ru2 38.44(10) 3_655 . . 3_655 ?
Ru1 Ru3 S2 Ru2 76.766(19) . . . 3_655 ?
Ru2 Ru3 S2 Ru2 71.62(2) . . . 3_655 ?
Ru1 Ru3 S2 Ru2 5.68(2) 3_655 . . 3_655 ?
P2 Ru2 S3 Ru3 148.49(2) . . . 3_655 ?
S1 Ru2 S3 Ru3 -119.74(4) . . . 3_655 ?
S2 Ru2 S3 Ru3 43.90(3) 3_655 . . 3_655 ?
S4 Ru2 S3 Ru3 -37.02(10) 3_655 . . 3_655 ?
Ru1 Ru2 S3 Ru3 -4.79(2) 3_655 . . 3_655 ?
Ru3 Ru2 S3 Ru3 -70.84(3) . . . 3_655 ?
Ru1 Ru2 S3 Ru3 -76.80(4) . . . 3_655 ?
P2 Ru2 S3 Ru1 -134.71(3) . . . . ?
S1 Ru2 S3 Ru1 -42.94(2) . . . . ?
S2 Ru2 S3 Ru1 120.70(2) 3_655 . . . ?
S4 Ru2 S3 Ru1 39.78(10) 3_655 . . . ?
Ru1 Ru2 S3 Ru1 72.00(4) 3_655 . . . ?
Ru3 Ru2 S3 Ru1 76.80(4) 3_655 . . . ?
Ru3 Ru2 S3 Ru1 5.96(2) . . . . ?
P1 Ru1 S3 Ru3 -146.78(3) . . . 3_655 ?
S1 Ru1 S3 Ru3 119.93(2) . . . 3_655 ?
S2 Ru1 S3 Ru3 38.40(9) . . . 3_655 ?
S4 Ru1 S3 Ru3 -43.71(2) . . . 3_655 ?
Ru3 Ru1 S3 Ru3 71.33(3) . . . 3_655 ?
Ru2 Ru1 S3 Ru3 5.55(2) 3_655 . . 3_655 ?
Ru2 Ru1 S3 Ru3 77.27(3) . . . 3_655 ?
P1 Ru1 S3 Ru2 135.95(2) . . . . ?
S1 Ru1 S3 Ru2 42.66(3) . . . . ?
S2 Ru1 S3 Ru2 -38.88(9) . . . . ?
S4 Ru1 S3 Ru2 -120.98(4) . . . . ?
Ru3 Ru1 S3 Ru2 -5.94(2) . . . . ?
Ru2 Ru1 S3 Ru2 -71.72(3) 3_655 . . . ?
Ru3 Ru1 S3 Ru2 -77.27(3) 3_655 . . . ?
P1 Ru1 S4 Ru3 150.96(3) . . . 3_655 ?
S1 Ru1 S4 Ru3 -34.60(10) . . . 3_655 ?
S2 Ru1 S4 Ru3 -120.38(2) . . . 3_655 ?
S3 Ru1 S4 Ru3 43.44(2) . . . 3_655 ?
Ru3 Ru1 S4 Ru3 -70.85(3) . . . 3_655 ?
Ru2 Ru1 S4 Ru3 -76.83(3) 3_655 . . 3_655 ?
Ru2 Ru1 S4 Ru3 -4.79(2) . . . 3_655 ?
P1 Ru1 S4 Ru2 -132.22(2) . . . 3_655 ?
S1 Ru1 S4 Ru2 42.23(9) . . . 3_655 ?
S2 Ru1 S4 Ru2 -43.55(3) . . . 3_655 ?
S3 Ru1 S4 Ru2 120.27(4) . . . 3_655 ?
Ru3 Ru1 S4 Ru2 5.97(2) . . . 3_655 ?
Ru3 Ru1 S4 Ru2 76.83(3) 3_655 . . 3_655 ?
Ru2 Ru1 S4 Ru2 72.04(3) . . . 3_655 ?
S1 Ru1 P1 C13 -34.68(11) . . . . ?
S2 Ru1 P1 C13 54.35(11) . . . . ?
S4 Ru1 P1 C13 143.72(11) . . . . ?
S3 Ru1 P1 C13 -124.20(11) . . . . ?
Ru3 Ru1 P1 C13 11.88(11) . . . . ?
Ru2 Ru1 P1 C13 90.65(11) 3_655 . . . ?
Ru3 Ru1 P1 C13 -173.68(10) 3_655 . . . ?
Ru2 Ru1 P1 C13 -69.80(11) . . . . ?
S1 Ru1 P1 C7 82.90(10) . . . . ?
S2 Ru1 P1 C7 171.93(10) . . . . ?
S4 Ru1 P1 C7 -98.70(10) . . . . ?
S3 Ru1 P1 C7 -6.62(10) . . . . ?
Ru3 Ru1 P1 C7 129.46(10) . . . . ?
Ru2 Ru1 P1 C7 -151.77(10) 3_655 . . . ?
Ru3 Ru1 P1 C7 -56.10(11) 3_655 . . . ?
Ru2 Ru1 P1 C7 47.78(11) . . . . ?
S1 Ru1 P1 C1 -153.39(11) . . . . ?
S2 Ru1 P1 C1 -64.37(11) . . . . ?
S4 Ru1 P1 C1 25.01(11) . . . . ?
S3 Ru1 P1 C1 117.09(10) . . . . ?
Ru3 Ru1 P1 C1 -106.84(11) . . . . ?
Ru2 Ru1 P1 C1 -28.07(11) 3_655 . . . ?
Ru3 Ru1 P1 C1 67.60(11) 3_655 . . . ?
Ru2 Ru1 P1 C1 171.48(10) . . . . ?
S1 Ru2 P2 C19 -140.89(10) . . . . ?
S3 Ru2 P2 C19 -51.38(11) . . . . ?
S2 Ru2 P2 C19 37.86(11) 3_655 . . . ?
S4 Ru2 P2 C19 130.21(11) 3_655 . . . ?
Ru1 Ru2 P2 C19 85.40(11) 3_655 . . . ?
Ru3 Ru2 P2 C19 -14.42(11) 3_655 . . . ?
Ru3 Ru2 P2 C19 -178.72(10) . . . . ?
Ru1 Ru2 P2 C19 -97.60(11) . . . . ?
S1 Ru2 P2 C31 -22.17(10) . . . . ?
S3 Ru2 P2 C31 67.35(10) . . . . ?
S2 Ru2 P2 C31 156.59(10) 3_655 . . . ?
S4 Ru2 P2 C31 -111.07(10) 3_655 . . . ?
Ru1 Ru2 P2 C31 -155.88(9) 3_655 . . . ?
Ru3 Ru2 P2 C31 104.31(10) 3_655 . . . ?
Ru3 Ru2 P2 C31 -59.99(10) . . . . ?
Ru1 Ru2 P2 C31 21.13(10) . . . . ?
S1 Ru2 P2 C25 97.08(11) . . . . ?
S3 Ru2 P2 C25 -173.40(11) . . . . ?
S2 Ru2 P2 C25 -84.16(11) 3_655 . . . ?
S4 Ru2 P2 C25 8.19(11) 3_655 . . . ?
Ru1 Ru2 P2 C25 -36.62(12) 3_655 . . . ?
Ru3 Ru2 P2 C25 -136.44(11) 3_655 . . . ?
Ru3 Ru2 P2 C25 59.26(11) . . . . ?
Ru1 Ru2 P2 C25 140.38(10) . . . . ?
S1 Ru3 P3 C37 82.46(11) . . . . ?
S3 Ru3 P3 C37 -98.69(11) 3_655 . . . ?
S4 Ru3 P3 C37 171.62(11) 3_655 . . . ?
S2 Ru3 P3 C37 -7.93(11) . . . . ?
Ru1 Ru3 P3 C37 40.79(11) . . . . ?
Ru2 Ru3 P3 C37 -55.42(12) 3_655 . . . ?
Ru2 Ru3 P3 C37 128.18(11) . . . . ?
Ru1 Ru3 P3 C37 -147.58(10) 3_655 . . . ?
S1 Ru3 P3 C49 -157.89(10) . . . . ?
S3 Ru3 P3 C49 20.96(10) 3_655 . . . ?
S4 Ru3 P3 C49 -68.73(10) 3_655 . . . ?
S2 Ru3 P3 C49 111.72(10) . . . . ?
Ru1 Ru3 P3 C49 160.45(10) . . . . ?
Ru2 Ru3 P3 C49 64.23(11) 3_655 . . . ?
Ru2 Ru3 P3 C49 -112.17(10) . . . . ?
Ru1 Ru3 P3 C49 -27.93(11) 3_655 . . . ?
S1 Ru3 P3 C43 -38.11(11) . . . . ?
S3 Ru3 P3 C43 140.74(10) 3_655 . . . ?
S4 Ru3 P3 C43 51.05(11) 3_655 . . . ?
S2 Ru3 P3 C43 -128.50(11) . . . . ?
Ru1 Ru3 P3 C43 -79.78(11) . . . . ?
Ru2 Ru3 P3 C43 -175.99(10) 3_655 . . . ?
Ru2 Ru3 P3 C43 7.61(11) . . . . ?
Ru1 Ru3 P3 C43 91.85(11) 3_655 . . . ?
C13 P1 C1 C6 -111.7(3) . . . . ?
C7 P1 C1 C6 143.8(2) . . . . ?
Ru1 P1 C1 C6 11.3(3) . . . . ?
C13 P1 C1 C2 68.5(3) . . . . ?
C7 P1 C1 C2 -36.1(3) . . . . ?
Ru1 P1 C1 C2 -168.5(2) . . . . ?
C6 C1 C2 C3 -0.7(5) . . . . ?
P1 C1 C2 C3 179.1(3) . . . . ?
C1 C2 C3 C4 -1.5(6) . . . . ?
C2 C3 C4 C5 2.5(6) . . . . ?
C3 C4 C5 C6 -1.4(5) . . . . ?
C2 C1 C6 C5 1.8(5) . . . . ?
P1 C1 C6 C5 -178.0(2) . . . . ?
C4 C5 C6 C1 -0.8(5) . . . . ?
C13 P1 C7 C8 159.2(2) . . . . ?
C1 P1 C7 C8 -94.5(2) . . . . ?
Ru1 P1 C7 C8 36.4(2) . . . . ?
C13 P1 C7 C12 -23.4(2) . . . . ?
C1 P1 C7 C12 82.9(2) . . . . ?
Ru1 P1 C7 C12 -146.14(19) . . . . ?
C12 C7 C8 C9 0.6(4) . . . . ?
P1 C7 C8 C9 178.1(2) . . . . ?
C7 C8 C9 C10 -0.5(4) . . . . ?
C8 C9 C10 C11 0.2(4) . . . . ?
C9 C10 C11 C12 -0.1(4) . . . . ?
C10 C11 C12 C7 0.2(4) . . . . ?
C8 C7 C12 C11 -0.5(4) . . . . ?
P1 C7 C12 C11 -178.0(2) . . . . ?
C7 P1 C13 C18 130.7(2) . . . . ?
C1 P1 C13 C18 25.8(3) . . . . ?
Ru1 P1 C13 C18 -101.0(2) . . . . ?
C7 P1 C13 C14 -53.1(2) . . . . ?
C1 P1 C13 C14 -158.1(2) . . . . ?
Ru1 P1 C13 C14 75.2(2) . . . . ?
C18 C13 C14 C15 0.2(4) . . . . ?
P1 C13 C14 C15 -176.0(2) . . . . ?
C13 C14 C15 C16 0.8(5) . . . . ?
C14 C15 C16 C17 -1.4(5) . . . . ?
C15 C16 C17 C18 1.0(5) . . . . ?
C14 C13 C18 C17 -0.7(5) . . . . ?
P1 C13 C18 C17 175.5(2) . . . . ?
C16 C17 C18 C13 0.1(5) . . . . ?
C31 P2 C19 C24 12.5(3) . . . . ?
C25 P2 C19 C24 -92.9(2) . . . . ?
Ru2 P2 C19 C24 137.3(2) . . . . ?
C31 P2 C19 C20 -175.4(2) . . . . ?
C25 P2 C19 C20 79.2(2) . . . . ?
Ru2 P2 C19 C20 -50.6(2) . . . . ?
C24 C19 C20 C21 2.0(4) . . . . ?
P2 C19 C20 C21 -170.5(2) . . . . ?
C19 C20 C21 C22 -1.8(5) . . . . ?
C20 C21 C22 C23 0.2(5) . . . . ?
C21 C22 C23 C24 1.2(5) . . . . ?
C22 C23 C24 C19 -1.0(5) . . . . ?
C20 C19 C24 C23 -0.5(4) . . . . ?
P2 C19 C24 C23 171.6(2) . . . . ?
C19 P2 C25 C26 1.0(3) . . . . ?
C31 P2 C25 C26 -103.3(3) . . . . ?
Ru2 P2 C25 C26 131.9(2) . . . . ?
C19 P2 C25 C30 -179.5(2) . . . . ?
C31 P2 C25 C30 76.2(2) . . . . ?
Ru2 P2 C25 C30 -48.6(3) . . . . ?
C30 C25 C26 C27 0.0(5) . . . . ?
P2 C25 C26 C27 179.5(3) . . . . ?
C25 C26 C27 C28 0.4(5) . . . . ?
C26 C27 C28 C29 -0.4(5) . . . . ?
C27 C28 C29 C30 0.2(5) . . . . ?
C28 C29 C30 C25 0.2(5) . . . . ?
C26 C25 C30 C29 -0.2(4) . . . . ?
P2 C25 C30 C29 -179.7(2) . . . . ?
C19 P2 C31 C36 -103.0(3) . . . . ?
C25 P2 C31 C36 1.1(3) . . . . ?
Ru2 P2 C31 C36 128.4(2) . . . . ?
C19 P2 C31 C32 75.3(2) . . . . ?
C25 P2 C31 C32 179.4(2) . . . . ?
Ru2 P2 C31 C32 -53.4(2) . . . . ?
C36 C31 C32 C33 0.1(4) . . . . ?
P2 C31 C32 C33 -178.3(2) . . . . ?
C31 C32 C33 C34 0.0(5) . . . . ?
C32 C33 C34 C35 0.4(5) . . . . ?
C33 C34 C35 C36 -1.0(5) . . . . ?
C32 C31 C36 C35 -0.7(4) . . . . ?
P2 C31 C36 C35 177.6(2) . . . . ?
C34 C35 C36 C31 1.1(5) . . . . ?
C49 P3 C37 C38 100.0(3) . . . . ?
C43 P3 C37 C38 -5.0(3) . . . . ?
Ru3 P3 C37 C38 -131.6(2) . . . . ?
C49 P3 C37 C42 -72.5(2) . . . . ?
C43 P3 C37 C42 -177.5(2) . . . . ?
Ru3 P3 C37 C42 55.9(2) . . . . ?
C42 C37 C38 C39 -1.7(4) . . . . ?
P3 C37 C38 C39 -174.1(2) . . . . ?
C37 C38 C39 C40 1.9(5) . . . . ?
C38 C39 C40 C41 0.0(5) . . . . ?
C39 C40 C41 C42 -2.1(5) . . . . ?
C40 C41 C42 C37 2.4(4) . . . . ?
C38 C37 C42 C41 -0.4(4) . . . . ?
P3 C37 C42 C41 172.5(2) . . . . ?
C37 P3 C43 C48 116.1(3) . . . . ?
C49 P3 C43 C48 12.9(3) . . . . ?
Ru3 P3 C43 C48 -115.1(2) . . . . ?
C37 P3 C43 C44 -63.8(2) . . . . ?
C49 P3 C43 C44 -167.1(2) . . . . ?
Ru3 P3 C43 C44 65.0(2) . . . . ?
C48 C43 C44 C45 -1.4(4) . . . . ?
P3 C43 C44 C45 178.6(2) . . . . ?
C43 C44 C45 C46 0.4(5) . . . . ?
C44 C45 C46 C47 0.7(5) . . . . ?
C45 C46 C47 C48 -0.8(5) . . . . ?
C44 C43 C48 C47 1.3(4) . . . . ?
P3 C43 C48 C47 -178.7(2) . . . . ?
C46 C47 C48 C43 -0.2(5) . . . . ?
C37 P3 C49 C50 162.6(2) . . . . ?
C43 P3 C49 C50 -92.2(2) . . . . ?
Ru3 P3 C49 C50 33.9(3) . . . . ?
C37 P3 C49 C54 -20.7(3) . . . . ?
C43 P3 C49 C54 84.5(2) . . . . ?
Ru3 P3 C49 C54 -149.4(2) . . . . ?
C54 C49 C50 C51 1.4(4) . . . . ?
P3 C49 C50 C51 178.2(2) . . . . ?
C49 C50 C51 C52 0.0(5) . . . . ?
C50 C51 C52 C53 -1.3(5) . . . . ?
C51 C52 C53 C54 1.1(5) . . . . ?
C52 C53 C54 C49 0.4(5) . . . . ?
C50 C49 C54 C53 -1.7(4) . . . . ?
P3 C49 C54 C53 -178.4(2) . . . . ?
