#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/95/4319534.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_4319534
loop_
_publ_author_name
'Shigeki Kuwata'
'Shin-ichiro Kabashima'
'Nobuyuki Sugiyama'
'Youichi Ishii'
'Masanobu Hidai'
_publ_contact_author_address
;
    Department of Chemistry and Biotechnology, Graduate School of Engineering,
The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
;
_publ_contact_author_email       ' ishii@chembio.t.u-tokyo.ac.jp '
_publ_contact_author_fax         ' +81-3-5841-7265 '
_publ_contact_author_name        ' Youichi ISHII'
_publ_contact_author_phone       ' +81-3-5841-7264 '
_publ_section_title
;
 Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt)
 Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged
 Titanium-Ruthenium Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2034
_journal_page_last               2040
_journal_paper_doi               10.1021/ic0009324
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C51 H50 Cl2 P2 S2 Ru2 Ti '
_chemical_formula_sum            'C51 H50 Cl2 P2 Ru2 S2 Ti'
_chemical_formula_weight         1109.97
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu Nov  4 20:40:27 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                100.16(2)
_cell_angle_beta                 99.93(2)
_cell_angle_gamma                114.11(3)
_cell_formula_units_Z            2
_cell_length_a                   12.448(4)
_cell_length_b                   12.773(4)
_cell_length_c                   17.270(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.7
_cell_volume                     2373.9(14)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      -0.03063
_diffrn_orient_matrix_UB_12      -0.05806
_diffrn_orient_matrix_UB_13      -0.05526
_diffrn_orient_matrix_UB_21      -0.03157
_diffrn_orient_matrix_UB_22      -0.06767
_diffrn_orient_matrix_UB_23      0.02498
_diffrn_orient_matrix_UB_31      -0.08019
_diffrn_orient_matrix_UB_32      0.00275
_diffrn_orient_matrix_UB_33      -0.00770
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_av_sigmaI/netI    0.117
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11405
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        -0.07
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.095
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.823
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            darkbrown
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1124.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.34
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.443
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     541
_refine_ls_number_reflns         5817
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.0051
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00010|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0444
_refine_ls_wR_factor_ref         0.0444
_reflns_number_gt                5817
_reflns_number_total             10918
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic0009324_1.cif
_cod_data_source_block           IC0009324
_cod_depositor_comments
;
The following automatic conversions were performed:
'_reflns_observed_expression' tag replaced with
'_reflns_threshold_expression' tag as specified in the replacement
file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_site_calc_flags'
tag replaced with '_atom_site_calc_flag' tag as specified in the
replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
tag replaced with '_atom_type_scat_dispersion_imag' tag as specified
in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_cell_volume        2373(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C51 H50 Cl2 P2 S2 Ru2 Ti '
_cod_database_code               4319534
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru(1) Ru 0.26049(5) 0.55226(5) 0.19877(4) 0.0342(2) Uani 1.00 d . . .
Ru(2) Ru 0.09507(5) 0.29822(5) 0.22084(3) 0.0242(1) Uani 1.00 d . . .
Ti Ti 0.1744(1) 0.3074(1) 0.08415(8) 0.0317(4) Uani 1.00 d . . .
Cl(1) Cl 0.0483(2) 0.1276(1) 0.1090(1) 0.0337(5) Uani 1.00 d . . .
Cl(2) Cl 0.1679(2) 0.4897(2) 0.3146(1) 0.0381(5) Uani 1.00 d . . .
S(1) S 0.0618(2) 0.4025(2) 0.1147(1) 0.0319(5) Uani 1.00 d . . .
S(2) S 0.3101(2) 0.3910(2) 0.2098(1) 0.0340(5) Uani 1.00 d . . .
P(1) P -0.1077(2) 0.2456(2) 0.2293(1) 0.0275(5) Uani 1.00 d . . .
P(2) P 0.1582(2) 0.2172(2) 0.3208(1) 0.0262(5) Uani 1.00 d . . .
C(1) C 0.2895(10) 0.3852(8) -0.0034(6) 0.066(3) Uani 1.00 d . . .
C(2) C 0.3085(8) 0.2882(9) 0.0081(5) 0.059(3) Uani 1.00 d . . .
C(3) C 0.1970(8) 0.1874(7) -0.0263(5) 0.050(3) Uani 1.00 d . . .
C(4) C 0.1109(9) 0.2210(8) -0.0593(5) 0.060(3) Uani 1.00 d . . .
C(5) C 0.168(1) 0.3432(9) -0.0453(5) 0.062(3) Uani 1.00 d . . .
C(6) C 0.4218(7) 0.6779(7) 0.1774(6) 0.047(3) Uani 1.00 d . . .
C(7) C 0.4267(10) 0.7134(8) 0.2597(7) 0.076(3) Uani 1.00 d . . .
C(8) C 0.327(1) 0.7376(7) 0.2615(8) 0.090(4) Uani 1.00 d . . .
C(9) C 0.2602(8) 0.7174(7) 0.1819(8) 0.065(3) Uani 1.00 d . . .
C(10) C 0.3173(7) 0.6798(6) 0.1306(5) 0.048(3) Uani 1.00 d . . .
C(11) C 0.5185(8) 0.6559(9) 0.1459(7) 0.088(4) Uani 1.00 d . . .
C(12) C 0.526(1) 0.728(1) 0.3313(8) 0.169(6) Uani 1.00 d . . .
C(13) C 0.296(2) 0.7836(9) 0.3383(9) 0.216(8) Uani 1.00 d . . .
C(14) C 0.149(1) 0.740(1) 0.156(1) 0.162(7) Uani 1.00 d . . .
C(15) C 0.2833(10) 0.6617(8) 0.0382(7) 0.088(4) Uani 1.00 d . . .
C(16) C -0.1737(6) 0.3501(6) 0.2149(4) 0.032(2) Uani 1.00 d . . .
C(17) C -0.1047(7) 0.4685(7) 0.2217(5) 0.042(2) Uani 1.00 d . . .
C(18) C -0.1573(9) 0.5438(7) 0.2147(5) 0.055(3) Uani 1.00 d . . .
C(19) C -0.2807(9) 0.5011(8) 0.2003(5) 0.061(3) Uani 1.00 d . . .
C(20) C -0.3529(7) 0.3832(9) 0.1931(5) 0.058(3) Uani 1.00 d . . .
C(21) C -0.3007(7) 0.3075(7) 0.1998(5) 0.049(3) Uani 1.00 d . . .
C(22) C -0.2275(6) 0.1135(6) 0.1474(5) 0.034(2) Uani 1.00 d . . .
C(23) C -0.2202(7) 0.1165(6) 0.0686(5) 0.041(2) Uani 1.00 d . . .
C(24) C -0.3100(8) 0.0282(7) 0.0014(5) 0.053(3) Uani 1.00 d . . .
C(25) C -0.4082(8) -0.0615(8) 0.0137(6) 0.063(3) Uani 1.00 d . . .
C(26) C -0.4171(7) -0.0643(7) 0.0906(7) 0.063(3) Uani 1.00 d . . .
C(27) C -0.3272(7) 0.0229(7) 0.1575(5) 0.048(2) Uani 1.00 d . . .
C(28) C -0.1441(6) 0.2255(7) 0.3268(4) 0.035(2) Uani 1.00 d . . .
C(29) C -0.1807(7) 0.1169(7) 0.3461(5) 0.046(3) Uani 1.00 d . . .
C(30) C -0.2027(9) 0.109(1) 0.4210(7) 0.078(4) Uani 1.00 d . . .
C(31) C -0.1906(10) 0.204(1) 0.4754(7) 0.086(5) Uani 1.00 d . . .
C(32) C -0.1509(10) 0.314(1) 0.4603(5) 0.075(4) Uani 1.00 d . . .
C(33) C -0.1271(8) 0.3245(8) 0.3852(5) 0.054(3) Uani 1.00 d . . .
C(34) C 0.0542(6) 0.0692(6) 0.3269(4) 0.028(2) Uani 1.00 d . . .
C(35) C -0.0383(6) -0.0118(6) 0.2580(4) 0.035(2) Uani 1.00 d . . .
C(36) C -0.1147(7) -0.1260(6) 0.2588(5) 0.046(2) Uani 1.00 d . . .
C(37) C -0.1016(8) -0.1604(7) 0.3297(5) 0.052(3) Uani 1.00 d . . .
C(38) C -0.0082(8) -0.0812(7) 0.3974(5) 0.053(3) Uani 1.00 d . . .
C(39) C 0.0681(7) 0.0304(6) 0.3964(4) 0.042(2) Uani 1.00 d . . .
C(40) C 0.2910(6) 0.1863(6) 0.3197(4) 0.033(2) Uani 1.00 d . . .
C(41) C 0.3085(7) 0.1403(7) 0.2464(5) 0.043(2) Uani 1.00 d . . .
C(42) C 0.4016(8) 0.1066(8) 0.2458(6) 0.058(3) Uani 1.00 d . . .
C(43) C 0.4782(8) 0.1182(8) 0.3167(6) 0.061(3) Uani 1.00 d . . .
C(44) C 0.4607(8) 0.1613(9) 0.3886(5) 0.062(3) Uani 1.00 d . . .
C(45) C 0.3674(7) 0.1947(7) 0.3906(5) 0.053(3) Uani 1.00 d . . .
C(46) C 0.2050(6) 0.3165(6) 0.4244(4) 0.030(2) Uani 1.00 d . . .
C(47) C 0.3181(7) 0.4190(7) 0.4475(5) 0.047(2) Uani 1.00 d . . .
C(48) C 0.3545(8) 0.5005(7) 0.5231(6) 0.061(3) Uani 1.00 d . . .
C(49) C 0.2796(10) 0.4837(9) 0.5730(5) 0.067(3) Uani 1.00 d . . .
C(50) C 0.1689(9) 0.3862(8) 0.5501(5) 0.055(3) Uani 1.00 d . . .
C(51) C 0.1300(7) 0.3027(6) 0.4752(4) 0.040(2) Uani 1.00 d . . .
H(1) H 0.3497 0.4663 0.0144 0.0791 Uiso 1.00 calc . . .
H(2) H 0.3834 0.2906 0.0344 0.0704 Uiso 1.00 calc . . .
H(3) H 0.1821 0.1081 -0.0270 0.0600 Uiso 1.00 calc . . .
H(4) H 0.0273 0.1691 -0.0867 0.0723 Uiso 1.00 calc . . .
H(5) H 0.1300 0.3904 -0.0615 0.0746 Uiso 1.00 calc . . .
H(6) H 0.5288 0.5946 0.1653 0.1059 Uiso 1.00 calc . . .
H(7) H 0.4940 0.6322 0.0879 0.1059 Uiso 1.00 calc . . .
H(8) H 0.5937 0.7270 0.1648 0.1059 Uiso 1.00 calc . . .
H(9) H 0.5286 0.6536 0.3277 0.2023 Uiso 1.00 calc . . .
H(10) H 0.6030 0.7861 0.3299 0.2023 Uiso 1.00 calc . . .
H(11) H 0.5092 0.7522 0.3810 0.2023 Uiso 1.00 calc . . .
H(12) H 0.3528 0.7883 0.3852 0.2591 Uiso 1.00 calc . . .
H(13) H 0.3022 0.8605 0.3403 0.2591 Uiso 1.00 calc . . .
H(14) H 0.2158 0.7306 0.3373 0.2591 Uiso 1.00 calc . . .
H(15) H 0.1285 0.7672 0.2037 0.1941 Uiso 1.00 calc . . .
H(16) H 0.1687 0.7988 0.1272 0.1941 Uiso 1.00 calc . . .
H(17) H 0.0821 0.6680 0.1223 0.1941 Uiso 1.00 calc . . .
H(18) H 0.2924 0.7347 0.0272 0.1054 Uiso 1.00 calc . . .
H(19) H 0.3356 0.6363 0.0152 0.1054 Uiso 1.00 calc . . .
H(20) H 0.2008 0.6027 0.0150 0.1054 Uiso 1.00 calc . . .
H(21) H -0.0186 0.4993 0.2314 0.0501 Uiso 1.00 calc . . .
H(22) H -0.1074 0.6256 0.2200 0.0662 Uiso 1.00 calc . . .
H(23) H -0.3169 0.5531 0.1952 0.0734 Uiso 1.00 calc . . .
H(24) H -0.4389 0.3537 0.1835 0.0697 Uiso 1.00 calc . . .
H(25) H -0.3512 0.2257 0.1942 0.0591 Uiso 1.00 calc . . .
H(26) H -0.1529 0.1798 0.0604 0.0496 Uiso 1.00 calc . . .
H(27) H -0.3035 0.0299 -0.0525 0.0636 Uiso 1.00 calc . . .
H(28) H -0.4704 -0.1220 -0.0318 0.0756 Uiso 1.00 calc . . .
H(29) H -0.4855 -0.1267 0.0985 0.0759 Uiso 1.00 calc . . .
H(30) H -0.3345 0.0201 0.2111 0.0571 Uiso 1.00 calc . . .
H(31) H -0.1905 0.0483 0.3076 0.0558 Uiso 1.00 calc . . .
H(32) H -0.2269 0.0347 0.4339 0.0934 Uiso 1.00 calc . . .
H(33) H -0.2095 0.1952 0.5256 0.1030 Uiso 1.00 calc . . .
H(34) H -0.1400 0.3817 0.5002 0.0900 Uiso 1.00 calc . . .
H(35) H -0.0990 0.4000 0.3741 0.0647 Uiso 1.00 calc . . .
H(36) H -0.0492 0.0119 0.2093 0.0417 Uiso 1.00 calc . . .
H(37) H -0.1760 -0.1806 0.2106 0.0548 Uiso 1.00 calc . . .
H(38) H -0.1559 -0.2374 0.3318 0.0626 Uiso 1.00 calc . . .
H(39) H 0.0031 -0.1052 0.4460 0.0631 Uiso 1.00 calc . . .
H(40) H 0.1320 0.0827 0.4441 0.0501 Uiso 1.00 calc . . .
H(41) H 0.2562 0.1317 0.1961 0.0519 Uiso 1.00 calc . . .
H(42) H 0.4118 0.0751 0.1950 0.0698 Uiso 1.00 calc . . .
H(43) H 0.5426 0.0965 0.3159 0.0737 Uiso 1.00 calc . . .
H(44) H 0.5131 0.1689 0.4386 0.0748 Uiso 1.00 calc . . .
H(45) H 0.3565 0.2237 0.4418 0.0640 Uiso 1.00 calc . . .
H(46) H 0.3694 0.4323 0.4117 0.0559 Uiso 1.00 calc . . .
H(47) H 0.4322 0.5685 0.5399 0.0738 Uiso 1.00 calc . . .
H(48) H 0.3048 0.5406 0.6243 0.0805 Uiso 1.00 calc . . .
H(49) H 0.1176 0.3750 0.5859 0.0664 Uiso 1.00 calc . . .
H(50) H 0.0514 0.2360 0.4591 0.0477 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S S 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ti Ti 0.278 0.446
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-2 1 -1
-2 0 0
-1 1 -2
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ti Ru(1) Cl(2) 99.24(5) 1_555 1_555 1_555 yes
Ti Ru(1) S(1) 47.55(5) 1_555 1_555 1_555 yes
Ti Ru(1) S(2) 47.63(5) 1_555 1_555 1_555 yes
Ti Ru(1) C(6) 109.8(2) 1_555 1_555 1_555 yes
Ti Ru(1) C(7) 139.9(4) 1_555 1_555 1_555 yes
Ti Ru(1) C(8) 169.8(3) 1_555 1_555 1_555 yes
Ti Ru(1) C(9) 133.8(3) 1_555 1_555 1_555 yes
Ti Ru(1) C(10) 107.6(2) 1_555 1_555 1_555 yes
Cl(2) Ru(1) S(1) 82.53(6) 1_555 1_555 1_555 yes
Cl(2) Ru(1) S(2) 79.50(6) 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(6) 141.8(3) 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(7) 104.3(3) 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(8) 90.4(3) 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(9) 112.2(3) 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(10) 149.0(2) 1_555 1_555 1_555 yes
S(1) Ru(1) S(2) 86.94(6) 1_555 1_555 1_555 yes
S(1) Ru(1) C(6) 135.6(3) 1_555 1_555 1_555 yes
S(1) Ru(1) C(7) 166.4(3) 1_555 1_555 1_555 yes
S(1) Ru(1) C(8) 131.8(4) 1_555 1_555 1_555 yes
S(1) Ru(1) C(9) 102.7(3) 1_555 1_555 1_555 yes
S(1) Ru(1) C(10) 104.2(2) 1_555 1_555 1_555 yes
S(2) Ru(1) C(6) 101.9(2) 1_555 1_555 1_555 yes
S(2) Ru(1) C(7) 105.7(3) 1_555 1_555 1_555 yes
S(2) Ru(1) C(8) 138.6(5) 1_555 1_555 1_555 yes
S(2) Ru(1) C(9) 165.5(2) 1_555 1_555 1_555 yes
S(2) Ru(1) C(10) 130.5(2) 1_555 1_555 1_555 yes
C(6) Ru(1) C(7) 38.0(3) 1_555 1_555 1_555 yes
C(6) Ru(1) C(8) 63.0(3) 1_555 1_555 1_555 yes
C(6) Ru(1) C(9) 63.6(3) 1_555 1_555 1_555 yes
C(6) Ru(1) C(10) 38.8(3) 1_555 1_555 1_555 yes
C(7) Ru(1) C(8) 38.1(4) 1_555 1_555 1_555 yes
C(7) Ru(1) C(9) 63.9(4) 1_555 1_555 1_555 yes
C(7) Ru(1) C(10) 63.9(3) 1_555 1_555 1_555 yes
C(8) Ru(1) C(9) 37.5(4) 1_555 1_555 1_555 yes
C(8) Ru(1) C(10) 62.2(4) 1_555 1_555 1_555 yes
C(9) Ru(1) C(10) 36.9(3) 1_555 1_555 1_555 yes
Ti Ru(2) Cl(1) 54.18(5) 1_555 1_555 1_555 yes
Ti Ru(2) Cl(2) 113.54(5) 1_555 1_555 1_555 yes
Ti Ru(2) S(1) 51.13(5) 1_555 1_555 1_555 yes
Ti Ru(2) S(2) 51.36(5) 1_555 1_555 1_555 yes
Ti Ru(2) P(1) 126.85(6) 1_555 1_555 1_555 yes
Ti Ru(2) P(2) 123.19(6) 1_555 1_555 1_555 yes
Cl(1) Ru(2) Cl(2) 167.70(6) 1_555 1_555 1_555 yes
Cl(1) Ru(2) S(1) 87.62(6) 1_555 1_555 1_555 yes
Cl(1) Ru(2) S(2) 89.10(6) 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(1) 97.53(6) 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(2) 93.40(6) 1_555 1_555 1_555 yes
Cl(2) Ru(2) S(1) 83.81(6) 1_555 1_555 1_555 yes
Cl(2) Ru(2) S(2) 81.06(6) 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(1) 91.15(6) 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(2) 93.74(6) 1_555 1_555 1_555 yes
S(1) Ru(2) S(2) 82.49(6) 1_555 1_555 1_555 yes
S(1) Ru(2) P(1) 89.03(6) 1_555 1_555 1_555 yes
S(1) Ru(2) P(2) 171.13(6) 1_555 1_555 1_555 yes
S(2) Ru(2) P(1) 169.03(6) 1_555 1_555 1_555 yes
S(2) Ru(2) P(2) 88.71(6) 1_555 1_555 1_555 yes
P(1) Ru(2) P(2) 99.56(6) 1_555 1_555 1_555 yes
Ru(1) Ti Ru(2) 67.12(3) 1_555 1_555 1_555 yes
Ru(1) Ti Cl(1) 123.89(6) 1_555 1_555 1_555 yes
Ru(1) Ti S(1) 51.63(5) 1_555 1_555 1_555 yes
Ru(1) Ti S(2) 51.61(5) 1_555 1_555 1_555 yes
Ru(1) Ti C(1) 92.7(2) 1_555 1_555 1_555 yes
Ru(1) Ti C(2) 115.9(2) 1_555 1_555 1_555 yes
Ru(1) Ti C(3) 148.7(2) 1_555 1_555 1_555 yes
Ru(1) Ti C(4) 136.7(2) 1_555 1_555 1_555 yes
Ru(1) Ti C(5) 103.5(2) 1_555 1_555 1_555 yes
Ru(2) Ti Cl(1) 56.78(5) 1_555 1_555 1_555 yes
Ru(2) Ti S(1) 60.01(5) 1_555 1_555 1_555 yes
Ru(2) Ti S(2) 59.52(6) 1_555 1_555 1_555 yes
Ru(2) Ti C(1) 159.2(2) 1_555 1_555 1_555 yes
Ru(2) Ti C(2) 150.5(2) 1_555 1_555 1_555 yes
Ru(2) Ti C(3) 141.9(2) 1_555 1_555 1_555 yes
Ru(2) Ti C(4) 142.6(2) 1_555 1_555 1_555 yes
Ru(2) Ti C(5) 152.2(2) 1_555 1_555 1_555 yes
Cl(1) Ti S(1) 95.74(8) 1_555 1_555 1_555 yes
Cl(1) Ti S(2) 96.90(8) 1_555 1_555 1_555 yes
Cl(1) Ti C(1) 143.1(2) 1_555 1_555 1_555 yes
Cl(1) Ti C(2) 113.3(2) 1_555 1_555 1_555 yes
Cl(1) Ti C(3) 86.4(2) 1_555 1_555 1_555 yes
Cl(1) Ti C(4) 92.7(2) 1_555 1_555 1_555 yes
Cl(1) Ti C(5) 125.2(3) 1_555 1_555 1_555 yes
S(1) Ti S(2) 93.85(8) 1_555 1_555 1_555 yes
S(1) Ti C(1) 112.3(3) 1_555 1_555 1_555 yes
S(1) Ti C(2) 146.8(2) 1_555 1_555 1_555 yes
S(1) Ti C(3) 142.0(2) 1_555 1_555 1_555 yes
S(1) Ti C(4) 108.1(2) 1_555 1_555 1_555 yes
S(1) Ti C(5) 93.2(2) 1_555 1_555 1_555 yes
S(2) Ti C(1) 104.2(3) 1_555 1_555 1_555 yes
S(2) Ti C(2) 98.1(2) 1_555 1_555 1_555 yes
S(2) Ti C(3) 123.7(2) 1_555 1_555 1_555 yes
S(2) Ti C(4) 155.0(2) 1_555 1_555 1_555 yes
S(2) Ti C(5) 136.2(3) 1_555 1_555 1_555 yes
C(1) Ti C(2) 34.6(3) 1_555 1_555 1_555 yes
C(1) Ti C(3) 56.8(3) 1_555 1_555 1_555 yes
C(1) Ti C(4) 56.8(3) 1_555 1_555 1_555 yes
C(1) Ti C(5) 34.5(3) 1_555 1_555 1_555 yes
C(2) Ti C(3) 34.2(3) 1_555 1_555 1_555 yes
C(2) Ti C(4) 56.9(3) 1_555 1_555 1_555 yes
C(2) Ti C(5) 57.3(3) 1_555 1_555 1_555 yes
C(3) Ti C(4) 34.0(3) 1_555 1_555 1_555 yes
C(3) Ti C(5) 56.6(3) 1_555 1_555 1_555 yes
C(4) Ti C(5) 33.9(3) 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti 69.04(5) 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) 80.03(6) 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) 80.56(6) 1_555 1_555 1_555 yes
Ru(1) S(1) Ti 80.83(7) 1_555 1_555 1_555 yes
Ru(2) S(1) Ti 68.85(6) 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) 80.91(6) 1_555 1_555 1_555 yes
Ru(1) S(2) Ti 80.76(7) 1_555 1_555 1_555 yes
Ru(2) S(2) Ti 69.12(6) 1_555 1_555 1_555 yes
Ru(2) P(1) C(16) 119.0(2) 1_555 1_555 1_555 yes
Ru(2) P(1) C(22) 114.7(2) 1_555 1_555 1_555 yes
Ru(2) P(1) C(28) 119.0(2) 1_555 1_555 1_555 yes
C(16) P(1) C(22) 97.2(3) 1_555 1_555 1_555 yes
C(16) P(1) C(28) 97.0(3) 1_555 1_555 1_555 yes
C(22) P(1) C(28) 106.6(3) 1_555 1_555 1_555 yes
Ru(2) P(2) C(34) 119.9(2) 1_555 1_555 1_555 yes
Ru(2) P(2) C(40) 119.4(2) 1_555 1_555 1_555 yes
Ru(2) P(2) C(46) 111.8(2) 1_555 1_555 1_555 yes
C(34) P(2) C(40) 96.1(3) 1_555 1_555 1_555 yes
C(34) P(2) C(46) 105.1(3) 1_555 1_555 1_555 yes
C(40) P(2) C(46) 102.1(3) 1_555 1_555 1_555 yes
Ti C(1) C(2) 73.6(5) 1_555 1_555 1_555 yes
Ti C(1) C(5) 73.6(5) 1_555 1_555 1_555 yes
Ti C(1) H(1) 118.9(6) 1_555 1_555 1_555 no
C(2) C(1) C(5) 108.4(8) 1_555 1_555 1_555 yes
C(2) C(1) H(1) 125(1) 1_555 1_555 1_555 no
C(5) C(1) H(1) 125(1) 1_555 1_555 1_555 no
Ti C(2) C(1) 71.8(5) 1_555 1_555 1_555 yes
Ti C(2) C(3) 73.1(4) 1_555 1_555 1_555 yes
Ti C(2) H(2) 120.4(6) 1_555 1_555 1_555 no
C(1) C(2) C(3) 106.7(8) 1_555 1_555 1_555 yes
C(1) C(2) H(2) 126(1) 1_555 1_555 1_555 no
C(3) C(2) H(2) 126.6(10) 1_555 1_555 1_555 no
Ti C(3) C(2) 72.7(5) 1_555 1_555 1_555 yes
Ti C(3) C(4) 73.5(5) 1_555 1_555 1_555 yes
Ti C(3) H(3) 120.0(6) 1_555 1_555 1_555 no
C(2) C(3) C(4) 109.0(8) 1_555 1_555 1_555 yes
C(2) C(3) H(3) 125.5(9) 1_555 1_555 1_555 no
C(4) C(3) H(3) 125.5(10) 1_555 1_555 1_555 no
Ti C(4) C(3) 72.6(5) 1_555 1_555 1_555 yes
Ti C(4) C(5) 72.3(5) 1_555 1_555 1_555 yes
Ti C(4) H(4) 120.9(6) 1_555 1_555 1_555 no
C(3) C(4) C(5) 108.0(9) 1_555 1_555 1_555 yes
C(3) C(4) H(4) 126.0(10) 1_555 1_555 1_555 no
C(5) C(4) H(4) 126.0(10) 1_555 1_555 1_555 no
Ti C(5) C(1) 71.9(5) 1_555 1_555 1_555 yes
Ti C(5) C(4) 73.7(5) 1_555 1_555 1_555 yes
Ti C(5) H(5) 120.1(6) 1_555 1_555 1_555 no
C(1) C(5) C(4) 107.8(8) 1_555 1_555 1_555 yes
C(1) C(5) H(5) 126(1) 1_555 1_555 1_555 no
C(4) C(5) H(5) 126(1) 1_555 1_555 1_555 no
Ru(1) C(6) C(7) 71.5(5) 1_555 1_555 1_555 yes
Ru(1) C(6) C(10) 70.5(4) 1_555 1_555 1_555 yes
Ru(1) C(6) C(11) 128.5(6) 1_555 1_555 1_555 yes
C(7) C(6) C(10) 107.4(8) 1_555 1_555 1_555 yes
C(7) C(6) C(11) 125.3(9) 1_555 1_555 1_555 yes
C(10) C(6) C(11) 127.0(9) 1_555 1_555 1_555 yes
Ru(1) C(7) C(6) 70.5(5) 1_555 1_555 1_555 yes
Ru(1) C(7) C(8) 71.1(5) 1_555 1_555 1_555 yes
Ru(1) C(7) C(12) 125.5(7) 1_555 1_555 1_555 yes
C(6) C(7) C(8) 106.5(9) 1_555 1_555 1_555 yes
C(6) C(7) C(12) 125(1) 1_555 1_555 1_555 yes
C(8) C(7) C(12) 128(1) 1_555 1_555 1_555 yes
Ru(1) C(8) C(7) 70.8(5) 1_555 1_555 1_555 yes
Ru(1) C(8) C(9) 72.2(5) 1_555 1_555 1_555 yes
Ru(1) C(8) C(13) 125.3(7) 1_555 1_555 1_555 yes
C(7) C(8) C(9) 109.8(9) 1_555 1_555 1_555 yes
C(7) C(8) C(13) 125(1) 1_555 1_555 1_555 yes
C(9) C(8) C(13) 124(1) 1_555 1_555 1_555 yes
Ru(1) C(9) C(8) 70.3(5) 1_555 1_555 1_555 yes
Ru(1) C(9) C(10) 69.8(5) 1_555 1_555 1_555 yes
Ru(1) C(9) C(14) 127.7(6) 1_555 1_555 1_555 yes
C(8) C(9) C(10) 106.9(9) 1_555 1_555 1_555 yes
C(8) C(9) C(14) 126(1) 1_555 1_555 1_555 yes
C(10) C(9) C(14) 126(1) 1_555 1_555 1_555 yes
Ru(1) C(10) C(6) 70.7(4) 1_555 1_555 1_555 yes
Ru(1) C(10) C(9) 73.3(5) 1_555 1_555 1_555 yes
Ru(1) C(10) C(15) 129.3(6) 1_555 1_555 1_555 yes
C(6) C(10) C(9) 109.5(9) 1_555 1_555 1_555 yes
C(6) C(10) C(15) 125.9(9) 1_555 1_555 1_555 yes
C(9) C(10) C(15) 124.0(9) 1_555 1_555 1_555 yes
C(6) C(11) H(6) 109.5(8) 1_555 1_555 1_555 no
C(6) C(11) H(7) 109.5(9) 1_555 1_555 1_555 no
C(6) C(11) H(8) 109.5(9) 1_555 1_555 1_555 no
H(6) C(11) H(7) 109(1) 1_555 1_555 1_555 no
H(6) C(11) H(8) 109(1) 1_555 1_555 1_555 no
H(7) C(11) H(8) 109.5(10) 1_555 1_555 1_555 no
C(7) C(12) H(9) 109(1) 1_555 1_555 1_555 no
C(7) C(12) H(10) 109(1) 1_555 1_555 1_555 no
C(7) C(12) H(11) 109(1) 1_555 1_555 1_555 no
H(9) C(12) H(10) 109(1) 1_555 1_555 1_555 no
H(9) C(12) H(11) 109(1) 1_555 1_555 1_555 no
H(10) C(12) H(11) 109(1) 1_555 1_555 1_555 no
C(8) C(13) H(12) 109(1) 1_555 1_555 1_555 no
C(8) C(13) H(13) 109(1) 1_555 1_555 1_555 no
C(8) C(13) H(14) 109(1) 1_555 1_555 1_555 no
H(12) C(13) H(13) 109(1) 1_555 1_555 1_555 no
H(12) C(13) H(14) 109(1) 1_555 1_555 1_555 no
H(13) C(13) H(14) 109(2) 1_555 1_555 1_555 no
C(9) C(14) H(15) 109(1) 1_555 1_555 1_555 no
C(9) C(14) H(16) 109.5(10) 1_555 1_555 1_555 no
C(9) C(14) H(17) 109.5(9) 1_555 1_555 1_555 no
H(15) C(14) H(16) 109(1) 1_555 1_555 1_555 no
H(15) C(14) H(17) 109(1) 1_555 1_555 1_555 no
H(16) C(14) H(17) 109(1) 1_555 1_555 1_555 no
C(10) C(15) H(18) 109.5(9) 1_555 1_555 1_555 no
C(10) C(15) H(19) 109.5(9) 1_555 1_555 1_555 no
C(10) C(15) H(20) 109.5(9) 1_555 1_555 1_555 no
H(18) C(15) H(19) 109(1) 1_555 1_555 1_555 no
H(18) C(15) H(20) 109(1) 1_555 1_555 1_555 no
H(19) C(15) H(20) 109(1) 1_555 1_555 1_555 no
P(1) C(16) C(17) 123.7(5) 1_555 1_555 1_555 yes
P(1) C(16) C(21) 118.6(5) 1_555 1_555 1_555 yes
C(17) C(16) C(21) 117.7(7) 1_555 1_555 1_555 yes
C(16) C(17) C(18) 121.5(7) 1_555 1_555 1_555 yes
C(16) C(17) H(21) 119.2(7) 1_555 1_555 1_555 no
C(18) C(17) H(21) 119.2(8) 1_555 1_555 1_555 no
C(17) C(18) C(19) 120.1(8) 1_555 1_555 1_555 yes
C(17) C(18) H(22) 119.9(9) 1_555 1_555 1_555 no
C(19) C(18) H(22) 119.9(8) 1_555 1_555 1_555 no
C(18) C(19) C(20) 120.1(7) 1_555 1_555 1_555 yes
C(18) C(19) H(23) 120.0(10) 1_555 1_555 1_555 no
C(20) C(19) H(23) 120.0(10) 1_555 1_555 1_555 no
C(19) C(20) C(21) 120.0(8) 1_555 1_555 1_555 yes
C(19) C(20) H(24) 120.0(9) 1_555 1_555 1_555 no
C(21) C(20) H(24) 120.0(10) 1_555 1_555 1_555 no
C(16) C(21) C(20) 120.6(8) 1_555 1_555 1_555 yes
C(16) C(21) H(25) 119.7(7) 1_555 1_555 1_555 no
C(20) C(21) H(25) 119.7(8) 1_555 1_555 1_555 no
P(1) C(22) C(23) 115.0(5) 1_555 1_555 1_555 yes
P(1) C(22) C(27) 126.1(6) 1_555 1_555 1_555 yes
C(23) C(22) C(27) 118.5(7) 1_555 1_555 1_555 yes
C(22) C(23) C(24) 120.9(7) 1_555 1_555 1_555 yes
C(22) C(23) H(26) 119.6(7) 1_555 1_555 1_555 no
C(24) C(23) H(26) 119.5(8) 1_555 1_555 1_555 no
C(23) C(24) C(25) 119.1(8) 1_555 1_555 1_555 yes
C(23) C(24) H(27) 120.5(9) 1_555 1_555 1_555 no
C(25) C(24) H(27) 120.5(8) 1_555 1_555 1_555 no
C(24) C(25) C(26) 120.5(8) 1_555 1_555 1_555 yes
C(24) C(25) H(28) 119(1) 1_555 1_555 1_555 no
C(26) C(25) H(28) 119(1) 1_555 1_555 1_555 no
C(25) C(26) C(27) 120.4(8) 1_555 1_555 1_555 yes
C(25) C(26) H(29) 119.8(10) 1_555 1_555 1_555 no
C(27) C(26) H(29) 119(1) 1_555 1_555 1_555 no
C(22) C(27) C(26) 120.6(8) 1_555 1_555 1_555 yes
C(22) C(27) H(30) 119.7(7) 1_555 1_555 1_555 no
C(26) C(27) H(30) 119.7(8) 1_555 1_555 1_555 no
P(1) C(28) C(29) 123.0(6) 1_555 1_555 1_555 yes
P(1) C(28) C(33) 118.5(6) 1_555 1_555 1_555 yes
C(29) C(28) C(33) 118.4(7) 1_555 1_555 1_555 yes
C(28) C(29) C(30) 120.1(9) 1_555 1_555 1_555 yes
C(28) C(29) H(31) 120.0(7) 1_555 1_555 1_555 no
C(30) C(29) H(31) 120.0(9) 1_555 1_555 1_555 no
C(29) C(30) C(31) 120.9(10) 1_555 1_555 1_555 yes
C(29) C(30) H(32) 119(1) 1_555 1_555 1_555 no
C(31) C(30) H(32) 119(1) 1_555 1_555 1_555 no
C(30) C(31) C(32) 121.3(9) 1_555 1_555 1_555 yes
C(30) C(31) H(33) 119(1) 1_555 1_555 1_555 no
C(32) C(31) H(33) 119(1) 1_555 1_555 1_555 no
C(31) C(32) C(33) 118.8(9) 1_555 1_555 1_555 yes
C(31) C(32) H(34) 120(1) 1_555 1_555 1_555 no
C(33) C(32) H(34) 120(1) 1_555 1_555 1_555 no
C(28) C(33) C(32) 120.5(8) 1_555 1_555 1_555 yes
C(28) C(33) H(35) 119.7(8) 1_555 1_555 1_555 no
C(32) C(33) H(35) 119.7(9) 1_555 1_555 1_555 no
P(2) C(34) C(35) 119.6(5) 1_555 1_555 1_555 yes
P(2) C(34) C(39) 122.9(5) 1_555 1_555 1_555 yes
C(35) C(34) C(39) 117.3(6) 1_555 1_555 1_555 yes
C(34) C(35) C(36) 121.6(6) 1_555 1_555 1_555 yes
C(34) C(35) H(36) 119.2(7) 1_555 1_555 1_555 no
C(36) C(35) H(36) 119.2(7) 1_555 1_555 1_555 no
C(35) C(36) C(37) 119.7(7) 1_555 1_555 1_555 yes
C(35) C(36) H(37) 120.1(8) 1_555 1_555 1_555 no
C(37) C(36) H(37) 120.1(8) 1_555 1_555 1_555 no
C(36) C(37) C(38) 118.7(7) 1_555 1_555 1_555 yes
C(36) C(37) H(38) 120.6(9) 1_555 1_555 1_555 no
C(38) C(37) H(38) 120.6(8) 1_555 1_555 1_555 no
C(37) C(38) C(39) 121.6(7) 1_555 1_555 1_555 yes
C(37) C(38) H(39) 119.2(8) 1_555 1_555 1_555 no
C(39) C(38) H(39) 119.2(8) 1_555 1_555 1_555 no
C(34) C(39) C(38) 121.0(7) 1_555 1_555 1_555 yes
C(34) C(39) H(40) 119.5(7) 1_555 1_555 1_555 no
C(38) C(39) H(40) 119.5(7) 1_555 1_555 1_555 no
P(2) C(40) C(41) 120.8(5) 1_555 1_555 1_555 yes
P(2) C(40) C(45) 121.4(6) 1_555 1_555 1_555 yes
C(41) C(40) C(45) 117.4(7) 1_555 1_555 1_555 yes
C(40) C(41) C(42) 120.8(7) 1_555 1_555 1_555 yes
C(40) C(41) H(41) 119.6(7) 1_555 1_555 1_555 no
C(42) C(41) H(41) 119.6(8) 1_555 1_555 1_555 no
C(41) C(42) C(43) 121.1(8) 1_555 1_555 1_555 yes
C(41) C(42) H(42) 119.5(9) 1_555 1_555 1_555 no
C(43) C(42) H(42) 119.5(8) 1_555 1_555 1_555 no
C(42) C(43) C(44) 118.6(8) 1_555 1_555 1_555 yes
C(42) C(43) H(43) 120.7(10) 1_555 1_555 1_555 no
C(44) C(43) H(43) 120.7(9) 1_555 1_555 1_555 no
C(43) C(44) C(45) 121.3(8) 1_555 1_555 1_555 yes
C(43) C(44) H(44) 119.4(9) 1_555 1_555 1_555 no
C(45) C(44) H(44) 119.4(9) 1_555 1_555 1_555 no
C(40) C(45) C(44) 120.9(8) 1_555 1_555 1_555 yes
C(40) C(45) H(45) 119.5(8) 1_555 1_555 1_555 no
C(44) C(45) H(45) 119.5(8) 1_555 1_555 1_555 no
P(2) C(46) C(47) 117.1(6) 1_555 1_555 1_555 yes
P(2) C(46) C(51) 123.4(5) 1_555 1_555 1_555 yes
C(47) C(46) C(51) 119.1(7) 1_555 1_555 1_555 yes
C(46) C(47) C(48) 119.4(8) 1_555 1_555 1_555 yes
C(46) C(47) H(46) 120.3(8) 1_555 1_555 1_555 no
C(48) C(47) H(46) 120.3(8) 1_555 1_555 1_555 no
C(47) C(48) C(49) 120.4(8) 1_555 1_555 1_555 yes
C(47) C(48) H(47) 119.8(10) 1_555 1_555 1_555 no
C(49) C(48) H(47) 119.8(9) 1_555 1_555 1_555 no
C(48) C(49) C(50) 120.4(8) 1_555 1_555 1_555 yes
C(48) C(49) H(48) 119(1) 1_555 1_555 1_555 no
C(50) C(49) H(48) 119(1) 1_555 1_555 1_555 no
C(49) C(50) C(51) 120.7(8) 1_555 1_555 1_555 yes
C(49) C(50) H(49) 119.6(9) 1_555 1_555 1_555 no
C(51) C(50) H(49) 119.6(9) 1_555 1_555 1_555 no
C(46) C(51) C(50) 119.9(7) 1_555 1_555 1_555 yes
C(46) C(51) H(50) 120.0(7) 1_555 1_555 1_555 no
C(50) C(51) H(50) 120.0(8) 1_555 1_555 1_555 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru(1) Ti 3.032(1) 1_555 1_555 yes
Ru(1) Cl(2) 2.563(2) 1_555 1_555 yes
Ru(1) S(1) 2.408(2) 1_555 1_555 yes
Ru(1) S(2) 2.408(2) 1_555 1_555 yes
Ru(1) C(6) 2.139(7) 1_555 1_555 yes
Ru(1) C(7) 2.151(9) 1_555 1_555 yes
Ru(1) C(8) 2.156(9) 1_555 1_555 yes
Ru(1) C(9) 2.181(8) 1_555 1_555 yes
Ru(1) C(10) 2.136(7) 1_555 1_555 yes
Ru(2) Ti 2.714(1) 1_555 1_555 yes
Ru(2) Cl(1) 2.432(2) 1_555 1_555 yes
Ru(2) Cl(2) 2.390(2) 1_555 1_555 yes
Ru(2) S(1) 2.521(2) 1_555 1_555 yes
Ru(2) S(2) 2.504(2) 1_555 1_555 yes
Ru(2) P(1) 2.370(2) 1_555 1_555 yes
Ru(2) P(2) 2.343(2) 1_555 1_555 yes
Ti Cl(1) 2.357(2) 1_555 1_555 yes
Ti S(1) 2.266(2) 1_555 1_555 yes
Ti S(2) 2.269(2) 1_555 1_555 yes
Ti C(1) 2.332(8) 1_555 1_555 yes
Ti C(2) 2.356(8) 1_555 1_555 yes
Ti C(3) 2.360(8) 1_555 1_555 yes
Ti C(4) 2.372(8) 1_555 1_555 yes
Ti C(5) 2.354(8) 1_555 1_555 yes
P(1) C(16) 1.862(7) 1_555 1_555 yes
P(1) C(22) 1.857(7) 1_555 1_555 yes
P(1) C(28) 1.850(7) 1_555 1_555 yes
P(2) C(34) 1.838(6) 1_555 1_555 yes
P(2) C(40) 1.853(7) 1_555 1_555 yes
P(2) C(46) 1.840(7) 1_555 1_555 yes
C(1) C(2) 1.39(1) 1_555 1_555 yes
C(1) C(5) 1.39(1) 1_555 1_555 yes
C(2) C(3) 1.39(1) 1_555 1_555 yes
C(3) C(4) 1.38(1) 1_555 1_555 yes
C(4) C(5) 1.38(1) 1_555 1_555 yes
C(6) C(7) 1.40(1) 1_555 1_555 yes
C(6) C(10) 1.42(1) 1_555 1_555 yes
C(6) C(11) 1.51(1) 1_555 1_555 yes
C(7) C(8) 1.41(1) 1_555 1_555 yes
C(7) C(12) 1.52(1) 1_555 1_555 yes
C(8) C(9) 1.39(1) 1_555 1_555 yes
C(8) C(13) 1.52(1) 1_555 1_555 yes
C(9) C(10) 1.37(1) 1_555 1_555 yes
C(9) C(14) 1.53(1) 1_555 1_555 yes
C(10) C(15) 1.53(1) 1_555 1_555 yes
C(16) C(17) 1.371(9) 1_555 1_555 yes
C(16) C(21) 1.403(9) 1_555 1_555 yes
C(17) C(18) 1.377(10) 1_555 1_555 yes
C(18) C(19) 1.36(1) 1_555 1_555 yes
C(19) C(20) 1.37(1) 1_555 1_555 yes
C(20) C(21) 1.38(1) 1_555 1_555 yes
C(22) C(23) 1.385(10) 1_555 1_555 yes
C(22) C(27) 1.372(9) 1_555 1_555 yes
C(23) C(24) 1.389(10) 1_555 1_555 yes
C(24) C(25) 1.37(1) 1_555 1_555 yes
C(25) C(26) 1.36(1) 1_555 1_555 yes
C(26) C(27) 1.38(1) 1_555 1_555 yes
C(28) C(29) 1.393(10) 1_555 1_555 yes
C(28) C(33) 1.39(1) 1_555 1_555 yes
C(29) C(30) 1.38(1) 1_555 1_555 yes
C(30) C(31) 1.33(1) 1_555 1_555 yes
C(31) C(32) 1.38(1) 1_555 1_555 yes
C(32) C(33) 1.39(1) 1_555 1_555 yes
C(34) C(35) 1.389(9) 1_555 1_555 yes
C(34) C(39) 1.388(9) 1_555 1_555 yes
C(35) C(36) 1.382(9) 1_555 1_555 yes
C(36) C(37) 1.38(1) 1_555 1_555 yes
C(37) C(38) 1.38(1) 1_555 1_555 yes
C(38) C(39) 1.357(9) 1_555 1_555 yes
C(40) C(41) 1.390(9) 1_555 1_555 yes
C(40) C(45) 1.372(10) 1_555 1_555 yes
C(41) C(42) 1.392(10) 1_555 1_555 yes
C(42) C(43) 1.36(1) 1_555 1_555 yes
C(43) C(44) 1.36(1) 1_555 1_555 yes
C(44) C(45) 1.40(1) 1_555 1_555 yes
C(46) C(47) 1.404(9) 1_555 1_555 yes
C(46) C(51) 1.369(9) 1_555 1_555 yes
C(47) C(48) 1.39(1) 1_555 1_555 yes
C(48) C(49) 1.36(1) 1_555 1_555 yes
C(49) C(50) 1.36(1) 1_555 1_555 yes
C(50) C(51) 1.386(10) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Ru(1) Ti 3.032(1) 1_555 1_555 ?
Ru(1) Cl(2) 2.563(2) 1_555 1_555 ?
Ru(2) Ti 2.714(1) 1_555 1_555 ?
Ru(2) S(1) 2.521(2) 1_555 1_555 ?
Ru(2) S(2) 2.504(2) 1_555 1_555 ?
C(2) C(25) 3.57(1) 1_555 2_555 ?
C(3) C(25) 3.60(1) 1_555 2_555 ?
C(4) C(36) 3.46(1) 1_555 2_555 ?
C(5) C(18) 3.49(1) 1_555 2_565 ?
C(25) C(25) 3.28(2) 1_555 2_455 ?
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
Ru(1) Ti Ru(2) Cl(1) 178.75(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti Ru(2) Cl(2) -2.16(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti Ru(2) S(1) 57.70(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti Ru(2) S(2) -57.74(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti Ru(2) P(1) 108.56(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti Ru(2) P(2) -113.87(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti Cl(1) Ru(2) -1.38(7) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti S(1) Ru(2) -83.36(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti S(2) Ru(2) 83.73(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(1) C(2) 134.5(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(1) C(5) -110.0(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(2) C(1) -52.3(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(2) C(3) -167.0(4) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(3) C(2) 22.9(8) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(3) C(4) -93.7(7) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(4) C(3) 130.9(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(4) C(5) 14.8(8) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(5) C(1) 74.9(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Ti C(5) C(4) -169.6(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) Ti 2.39(7) 1_555 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) Cl(1) 5.9(3) 1_555 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) S(1) -40.24(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) S(2) 43.10(5) 1_555 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) P(1) -129.14(6) 1_555 1_555 1_555 1_555 yes
Ru(1) Cl(2) Ru(2) P(2) 131.20(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) Ti -83.74(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) Cl(1) -127.79(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) Cl(2) 43.37(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) S(2) -38.39(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) P(1) 134.63(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) P(2) -31.0(5) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti Ru(2) 83.36(5) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti Cl(1) 129.44(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti S(2) 32.10(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti C(1) -75.0(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti C(2) -79.0(4) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti C(3) -139.1(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti C(4) -135.8(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ti C(5) -104.7(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) Ti 83.52(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) Cl(1) 126.07(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) Cl(2) -46.52(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) S(1) 38.35(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) P(1) -1.4(4) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) P(2) -140.51(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti Ru(2) -83.73(5) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti Cl(1) -128.37(7) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti S(1) -32.10(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti C(1) 82.1(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti C(2) 116.8(2) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti C(3) 141.4(2) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti C(4) 119.8(6) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ti C(5) 66.6(3) 1_555 1_555 1_555 1_555 yes
Ru(1) C(6) C(7) C(8) -62.5(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(6) C(7) C(12) 120.2(9) 1_555 1_555 1_555 1_555 yes
Ru(1) C(6) C(10) C(9) 63.5(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(6) C(10) C(15) -125.1(8) 1_555 1_555 1_555 1_555 yes
Ru(1) C(7) C(6) C(10) 61.7(5) 1_555 1_555 1_555 1_555 yes
Ru(1) C(7) C(6) C(11) -124.6(8) 1_555 1_555 1_555 1_555 yes
Ru(1) C(7) C(8) C(9) -62.0(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(7) C(8) C(13) 120.2(9) 1_555 1_555 1_555 1_555 yes
Ru(1) C(8) C(7) C(6) 62.1(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(8) C(7) C(12) -120.8(10) 1_555 1_555 1_555 1_555 yes
Ru(1) C(8) C(9) C(10) -60.5(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(8) C(9) C(14) 122.9(9) 1_555 1_555 1_555 1_555 yes
Ru(1) C(9) C(8) C(7) 61.1(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(9) C(8) C(13) -121.1(9) 1_555 1_555 1_555 1_555 yes
Ru(1) C(9) C(10) C(6) -61.9(5) 1_555 1_555 1_555 1_555 yes
Ru(1) C(9) C(10) C(15) 126.6(8) 1_555 1_555 1_555 1_555 yes
Ru(1) C(10) C(6) C(7) -62.4(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(10) C(6) C(11) 124.1(8) 1_555 1_555 1_555 1_555 yes
Ru(1) C(10) C(9) C(8) 60.8(6) 1_555 1_555 1_555 1_555 yes
Ru(1) C(10) C(9) C(14) -122.5(9) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) Cl(2) 1.87(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) S(1) -69.03(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) S(2) 68.41(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) C(6) 156.6(2) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) C(7) 127.5(4) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) C(8) -159(2) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) C(9) -131.5(3) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti Ru(1) C(10) -162.4(2) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(1) C(2) 120.0(7) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(1) C(5) -124.5(7) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(2) C(1) -141.3(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(2) C(3) 104.1(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(3) C(2) -129.2(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(3) C(4) 114.2(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(4) C(3) -112.3(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(4) C(5) 131.6(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(5) C(1) 141.1(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Ti C(5) C(4) -103.4(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti S(1) -48.22(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti S(2) 46.37(7) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti C(1) 171.4(5) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti C(2) 148.3(3) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti C(3) 169.9(2) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti C(4) -156.8(2) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(1) Ti C(5) -146.3(3) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) Ti -1.99(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) S(1) 42.70(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) S(2) -45.55(6) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) C(6) -141.6(3) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) C(7) -149.3(4) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) C(8) 174.8(4) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) C(9) 143.5(3) 1_555 1_555 1_555 1_555 yes
Ru(2) Cl(2) Ru(1) C(10) 147.9(4) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) Ti 69.90(5) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) Cl(2) -39.93(5) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) S(2) 39.88(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) C(6) 143.8(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) C(7) -161(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) C(8) -123.8(4) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) C(9) -151.1(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) C(10) 171.0(2) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti Cl(1) 46.08(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti S(2) -51.26(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti C(1) -158.4(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti C(2) -162.3(4) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti C(3) 137.5(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti C(4) 140.9(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ti C(5) 172.0(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) Ti -70.14(5) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) Cl(2) 42.81(5) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) S(1) -40.16(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) C(6) -176.2(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) C(7) 144.9(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) C(8) 121.3(4) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) C(9) -172(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) C(10) -146.3(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti Cl(1) -44.64(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti S(1) 51.62(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti C(1) 165.8(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti C(2) -159.5(2) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti C(3) -134.9(2) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti C(4) -156.5(6) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ti C(5) 150.3(3) 1_555 1_555 1_555 1_555 yes
Ru(2) P(1) C(16) C(17) -18.6(7) 1_555 1_555 1_555 1_555 yes
Ru(2) P(1) C(16) C(21) 164.5(5) 1_555 1_555 1_555 1_555 yes
Ru(2) P(1) C(22) C(23) -50.3(6) 1_555 1_555 1_555 1_555 yes
Ru(2) P(1) C(22) C(27) 137.4(6) 1_555 1_555 1_555 1_555 yes
Ru(2) P(1) C(28) C(29) -88.5(6) 1_555 1_555 1_555 1_555 yes
Ru(2) P(1) C(28) C(33) 87.5(6) 1_555 1_555 1_555 1_555 yes
Ru(2) P(2) C(34) C(35) 24.0(7) 1_555 1_555 1_555 1_555 yes
Ru(2) P(2) C(34) C(39) -160.3(5) 1_555 1_555 1_555 1_555 yes
Ru(2) P(2) C(40) C(41) -39.2(7) 1_555 1_555 1_555 1_555 yes
Ru(2) P(2) C(40) C(45) 148.3(6) 1_555 1_555 1_555 1_555 yes
Ru(2) P(2) C(46) C(47) -74.3(6) 1_555 1_555 1_555 1_555 yes
Ru(2) P(2) C(46) C(51) 97.9(6) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(6) C(7) -149.3(6) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(6) C(10) 93.8(5) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(6) C(11) -28.5(9) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(7) C(6) 48.2(7) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(7) C(8) 164.2(6) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(7) C(12) -71(1) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(8) C(7) -84(2) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(8) C(9) 34(2) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(8) C(13) 154(1) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(9) C(8) -172.1(5) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(9) C(10) -54.7(7) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(9) C(14) 65(1) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(10) C(6) -99.9(5) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(10) C(9) 141.8(6) 1_555 1_555 1_555 1_555 yes
Ti Ru(1) C(10) C(15) 21.2(9) 1_555 1_555 1_555 1_555 yes
Ti Ru(2) P(1) C(16) -70.6(3) 1_555 1_555 1_555 1_555 yes
Ti Ru(2) P(1) C(22) 43.7(3) 1_555 1_555 1_555 1_555 yes
Ti Ru(2) P(1) C(28) 171.7(3) 1_555 1_555 1_555 1_555 yes
Ti Ru(2) P(2) C(34) -104.3(3) 1_555 1_555 1_555 1_555 yes
Ti Ru(2) P(2) C(40) 13.2(3) 1_555 1_555 1_555 1_555 yes
Ti Ru(2) P(2) C(46) 132.1(2) 1_555 1_555 1_555 1_555 yes
Ti Cl(1) Ru(2) Cl(2) -3.9(3) 1_555 1_555 1_555 1_555 yes
Ti Cl(1) Ru(2) S(1) 41.88(6) 1_555 1_555 1_555 1_555 yes
Ti Cl(1) Ru(2) S(2) -40.65(6) 1_555 1_555 1_555 1_555 yes
Ti Cl(1) Ru(2) P(1) 130.59(6) 1_555 1_555 1_555 1_555 yes
Ti Cl(1) Ru(2) P(2) -129.30(6) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) Cl(2) -109.83(7) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) S(2) -30.03(6) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) C(6) 73.9(3) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) C(7) 128(1) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) C(8) 166.3(4) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) C(9) 139.0(3) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(1) C(10) 101.1(2) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(2) Cl(1) -44.05(6) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(2) Cl(2) 127.11(7) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(2) S(2) 45.35(6) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(2) P(1) -141.63(7) 1_555 1_555 1_555 1_555 yes
Ti S(1) Ru(2) P(2) 52.8(4) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) Cl(2) 112.95(7) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) S(1) 29.98(6) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) C(6) -106.0(3) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) C(7) -145.0(3) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) C(8) -168.5(4) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) C(9) -102(1) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(1) C(10) -76.1(3) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(2) Cl(1) 42.55(6) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(2) Cl(2) -130.04(7) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(2) S(1) -45.17(6) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(2) P(1) -84.9(4) 1_555 1_555 1_555 1_555 yes
Ti S(2) Ru(2) P(2) 135.97(7) 1_555 1_555 1_555 1_555 yes
Ti C(1) C(2) C(3) 65.2(6) 1_555 1_555 1_555 1_555 yes
Ti C(1) C(5) C(4) -65.5(6) 1_555 1_555 1_555 1_555 yes
Ti C(2) C(1) C(5) -65.9(6) 1_555 1_555 1_555 1_555 yes
Ti C(2) C(3) C(4) 65.0(6) 1_555 1_555 1_555 1_555 yes
Ti C(3) C(2) C(1) -64.3(6) 1_555 1_555 1_555 1_555 yes
Ti C(3) C(4) C(5) 64.1(6) 1_555 1_555 1_555 1_555 yes
Ti C(4) C(3) C(2) -64.6(6) 1_555 1_555 1_555 1_555 yes
Ti C(4) C(5) C(1) 64.3(6) 1_555 1_555 1_555 1_555 yes
Ti C(5) C(1) C(2) 65.9(6) 1_555 1_555 1_555 1_555 yes
Ti C(5) C(4) C(3) -64.3(6) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti S(1) 121.06(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti S(2) -123.51(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti C(1) -165.4(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti C(2) -78.7(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti C(3) -16.6(4) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti C(4) 40.4(4) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) Ti C(5) 103.7(6) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(1) C(16) -120.9(3) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(1) C(22) -6.6(3) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(1) C(28) 121.3(3) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(2) C(34) -55.8(3) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(2) C(40) 61.8(3) 1_555 1_555 1_555 1_555 yes
Cl(1) Ru(2) P(2) C(46) -179.3(2) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) Cl(2) 3.12(9) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) S(1) -67.78(9) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) S(2) 69.66(9) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) C(6) 157.9(2) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) C(7) 128.7(4) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) C(8) -158(2) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) C(9) -130.2(3) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(1) C(10) -161.1(2) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(2) Cl(2) 179.09(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(2) S(1) -121.06(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(2) S(2) 123.51(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(2) P(1) -70.19(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti Ru(2) P(2) 67.38(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(1) C(2) -39.5(9) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(1) C(5) 76.0(8) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(2) C(1) 155.4(6) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(2) C(3) 40.8(6) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(3) C(2) -143.1(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(3) C(4) 100.3(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(4) C(3) -79.4(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(4) C(5) 164.5(6) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(5) C(1) -134.6(5) 1_555 1_555 1_555 1_555 yes
Cl(1) Ti C(5) C(4) -19.1(7) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti S(1) 70.90(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti S(2) -66.54(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti C(1) -172.6(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti C(2) -145.8(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti C(3) -159.9(4) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti C(4) 145.8(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) Ti C(5) 154.2(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(6) C(7) -12.2(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(6) C(10) -129.1(5) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(6) C(11) 108.7(9) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(7) C(6) 172.2(5) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(7) C(8) -71.7(7) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(7) C(12) 52(1) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(8) C(7) 113.0(6) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(8) C(9) -127.6(6) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(8) C(13) -7(1) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(9) C(8) 58.8(6) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(9) C(10) 176.2(5) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(9) C(14) -63(1) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(10) C(6) 111.4(6) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(10) C(9) -6.9(9) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(1) C(10) C(15) -127.5(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti S(1) -59.86(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti S(2) 55.58(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti C(1) 13.7(8) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti C(2) 100.4(5) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti C(3) 162.5(4) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti C(4) -140.5(4) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) Ti C(5) -77.3(6) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(1) C(16) 50.3(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(1) C(22) 164.7(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(1) C(28) -67.4(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(2) C(34) 134.3(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(2) C(40) -108.2(3) 1_555 1_555 1_555 1_555 yes
Cl(2) Ru(2) P(2) C(46) 10.7(2) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) Ti S(2) -137.44(9) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) Ti C(1) 116.5(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) Ti C(2) 143.3(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) Ti C(3) 129.2(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) Ti C(4) 74.9(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) Ti C(5) 83.3(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(6) C(7) 161.8(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(6) C(10) 44.9(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(6) C(11) -77.4(9) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(7) C(6) -68(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(7) C(8) 47(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(7) C(12) 171(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(8) C(7) -166.6(5) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(8) C(9) -47.3(7) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(8) C(13) 72(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(9) C(8) 145.8(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(9) C(10) -96.8(5) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(9) C(14) 23(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(10) C(6) -149.4(5) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(10) C(9) 92.4(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) C(10) C(15) -28.2(9) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) Ti S(2) 115.44(8) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) Ti C(1) 73.5(8) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) Ti C(2) 160.3(5) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) Ti C(3) -137.6(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) Ti C(4) -80.7(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) Ti C(5) -17.4(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(1) C(16) -33.4(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(1) C(22) 80.9(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(1) C(28) -151.2(3) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(2) C(34) -152.1(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(2) C(40) -34.6(5) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(2) C(46) 84.3(5) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(1) S(2) 137.44(9) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(1) C(6) -134.3(2) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(1) C(7) -163.5(4) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(1) C(8) -90(2) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(1) C(9) -62.4(3) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(1) C(10) -93.3(2) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(2) S(2) -115.44(8) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(2) P(1) 50.86(9) 1_555 1_555 1_555 1_555 yes
S(1) Ti Ru(2) P(2) -171.56(8) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(1) C(2) -176.2(5) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(1) C(5) -60.7(6) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(2) C(1) 6.5(9) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(2) C(3) -108.2(6) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(3) C(2) 122.3(5) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(3) C(4) 5.7(7) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(4) C(3) -176.3(5) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(4) C(5) 67.6(6) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(5) C(1) 126.1(5) 1_555 1_555 1_555 1_555 yes
S(1) Ti C(5) C(4) -118.4(6) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) Ti C(1) -106.0(3) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) Ti C(2) -79.3(3) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) Ti C(3) -93.4(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) Ti C(4) -147.7(3) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) Ti C(5) -139.2(3) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(6) C(7) -100.3(6) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(6) C(10) 142.8(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(6) C(11) 20.5(9) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(7) C(6) 89.3(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(7) C(8) -154.7(6) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(7) C(12) -30(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(8) C(7) 38.5(8) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(8) C(9) 157.9(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(8) C(13) -82(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(9) C(8) -83(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(9) C(10) 34(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(9) C(14) 154(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(10) C(6) -51.1(6) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(10) C(9) -169.3(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) C(10) C(15) 70.0(9) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) Ti C(1) -41.9(8) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) Ti C(2) 44.8(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) Ti C(3) 106.9(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) Ti C(4) 163.9(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) Ti C(5) -132.8(6) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(1) C(16) 5.9(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(1) C(22) 120.2(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(1) C(28) -111.9(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(2) C(34) -144.8(3) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(2) C(40) -27.2(3) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(2) C(46) 91.6(2) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(1) C(6) 88.2(2) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(1) C(7) 59.1(4) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(1) C(8) 131(2) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(1) C(9) 160.1(3) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(1) C(10) 129.2(2) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(2) P(1) 166.30(8) 1_555 1_555 1_555 1_555 yes
S(2) Ti Ru(2) P(2) -56.13(8) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(1) C(2) 83.5(6) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(1) C(5) -161.0(5) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(2) C(1) -103.4(6) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(2) C(3) 141.9(5) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(3) C(2) -47.2(6) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(3) C(4) -163.8(5) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(4) C(3) 33.3(9) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(4) C(5) -82.7(8) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(5) C(1) 27.1(7) 1_555 1_555 1_555 1_555 yes
S(2) Ti C(5) C(4) 142.7(5) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) Ti C(1) 124.4(8) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) Ti C(2) -148.9(5) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) Ti C(3) -86.8(4) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) Ti C(4) -29.8(4) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) Ti C(5) 33.5(6) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) P(2) C(34) 42.5(3) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) P(2) C(40) 160.0(3) 1_555 1_555 1_555 1_555 yes
P(1) Ru(2) P(2) C(46) -81.1(2) 1_555 1_555 1_555 1_555 yes
P(1) C(16) C(17) C(18) -176.5(6) 1_555 1_555 1_555 1_555 yes
P(1) C(16) C(21) C(20) 176.5(6) 1_555 1_555 1_555 1_555 yes
P(1) C(22) C(23) C(24) -174.6(6) 1_555 1_555 1_555 1_555 yes
P(1) C(22) C(27) C(26) 173.1(6) 1_555 1_555 1_555 1_555 yes
P(1) C(28) C(29) C(30) 177.9(6) 1_555 1_555 1_555 1_555 yes
P(1) C(28) C(33) C(32) -178.7(7) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) Ti C(1) -98.1(8) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) Ti C(2) -11.3(5) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) Ti C(3) 50.8(4) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) Ti C(4) 107.8(4) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) Ti C(5) 171.0(6) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) P(1) C(16) 144.3(3) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) P(1) C(22) -101.3(3) 1_555 1_555 1_555 1_555 yes
P(2) Ru(2) P(1) C(28) 26.6(3) 1_555 1_555 1_555 1_555 yes
P(2) C(34) C(35) C(36) 176.8(6) 1_555 1_555 1_555 1_555 yes
P(2) C(34) C(39) C(38) -177.7(6) 1_555 1_555 1_555 1_555 yes
P(2) C(40) C(41) C(42) -174.0(6) 1_555 1_555 1_555 1_555 yes
P(2) C(40) C(45) C(44) 174.4(7) 1_555 1_555 1_555 1_555 yes
P(2) C(46) C(47) C(48) 176.1(6) 1_555 1_555 1_555 1_555 yes
P(2) C(46) C(51) C(50) -175.4(6) 1_555 1_555 1_555 1_555 yes
C(1) Ti Ru(1) C(6) -17.8(4) 1_555 1_555 1_555 1_555 yes
C(1) Ti Ru(1) C(7) -47.0(5) 1_555 1_555 1_555 1_555 yes
C(1) Ti Ru(1) C(8) 25(2) 1_555 1_555 1_555 1_555 yes
C(1) Ti Ru(1) C(9) 54.1(4) 1_555 1_555 1_555 1_555 yes
C(1) Ti Ru(1) C(10) 23.2(4) 1_555 1_555 1_555 1_555 yes
C(1) Ti C(2) C(3) -114.7(8) 1_555 1_555 1_555 1_555 yes
C(1) Ti C(3) C(2) 38.1(6) 1_555 1_555 1_555 1_555 yes
C(1) Ti C(3) C(4) -78.5(6) 1_555 1_555 1_555 1_555 yes
C(1) Ti C(4) C(3) 78.4(6) 1_555 1_555 1_555 1_555 yes
C(1) Ti C(4) C(5) -37.7(6) 1_555 1_555 1_555 1_555 yes
C(1) Ti C(5) C(4) 115.5(8) 1_555 1_555 1_555 1_555 yes
C(1) C(2) Ti C(3) 114.7(8) 1_555 1_555 1_555 1_555 yes
C(1) C(2) Ti C(4) 78.1(6) 1_555 1_555 1_555 1_555 yes
C(1) C(2) Ti C(5) 37.4(6) 1_555 1_555 1_555 1_555 yes
C(1) C(2) C(3) C(4) 0.7(10) 1_555 1_555 1_555 1_555 yes
C(1) C(5) Ti C(2) -37.5(5) 1_555 1_555 1_555 1_555 yes
C(1) C(5) Ti C(3) -78.6(6) 1_555 1_555 1_555 1_555 yes
C(1) C(5) Ti C(4) -115.5(8) 1_555 1_555 1_555 1_555 yes
C(1) C(5) C(4) C(3) 0.0(10) 1_555 1_555 1_555 1_555 yes
C(2) Ti Ru(1) C(6) 8.9(4) 1_555 1_555 1_555 1_555 yes
C(2) Ti Ru(1) C(7) -20.2(5) 1_555 1_555 1_555 1_555 yes
C(2) Ti Ru(1) C(8) 52(2) 1_555 1_555 1_555 1_555 yes
C(2) Ti Ru(1) C(9) 80.8(4) 1_555 1_555 1_555 1_555 yes
C(2) Ti Ru(1) C(10) 49.9(3) 1_555 1_555 1_555 1_555 yes
C(2) Ti C(1) C(5) 115.5(8) 1_555 1_555 1_555 1_555 yes
C(2) Ti C(3) C(4) -116.6(8) 1_555 1_555 1_555 1_555 yes
C(2) Ti C(4) C(3) 36.8(5) 1_555 1_555 1_555 1_555 yes
C(2) Ti C(4) C(5) -79.3(6) 1_555 1_555 1_555 1_555 yes
C(2) Ti C(5) C(4) 78.0(6) 1_555 1_555 1_555 1_555 yes
C(2) C(1) Ti C(3) -37.6(5) 1_555 1_555 1_555 1_555 yes
C(2) C(1) Ti C(4) -78.5(6) 1_555 1_555 1_555 1_555 yes
C(2) C(1) Ti C(5) -115.5(8) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(5) C(4) 0.4(10) 1_555 1_555 1_555 1_555 yes
C(2) C(3) Ti C(4) 116.6(8) 1_555 1_555 1_555 1_555 yes
C(2) C(3) Ti C(5) 79.7(6) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) -0.4(10) 1_555 1_555 1_555 1_555 yes
C(3) Ti Ru(1) C(6) -5.1(5) 1_555 1_555 1_555 1_555 yes
C(3) Ti Ru(1) C(7) -34.3(6) 1_555 1_555 1_555 1_555 yes
C(3) Ti Ru(1) C(8) 38(2) 1_555 1_555 1_555 1_555 yes
C(3) Ti Ru(1) C(9) 66.8(5) 1_555 1_555 1_555 1_555 yes
C(3) Ti Ru(1) C(10) 35.9(5) 1_555 1_555 1_555 1_555 yes
C(3) Ti C(1) C(5) 77.8(6) 1_555 1_555 1_555 1_555 yes
C(3) Ti C(4) C(5) -116.1(9) 1_555 1_555 1_555 1_555 yes
C(3) Ti C(5) C(4) 37.0(5) 1_555 1_555 1_555 1_555 yes
C(3) C(2) Ti C(4) -36.6(5) 1_555 1_555 1_555 1_555 yes
C(3) C(2) Ti C(5) -77.2(6) 1_555 1_555 1_555 1_555 yes
C(3) C(2) C(1) C(5) -0.7(10) 1_555 1_555 1_555 1_555 yes
C(3) C(4) Ti C(5) 116.1(9) 1_555 1_555 1_555 1_555 yes
C(4) Ti Ru(1) C(6) -59.4(4) 1_555 1_555 1_555 1_555 yes
C(4) Ti Ru(1) C(7) -88.6(5) 1_555 1_555 1_555 1_555 yes
C(4) Ti Ru(1) C(8) -15(2) 1_555 1_555 1_555 1_555 yes
C(4) Ti Ru(1) C(9) 12.5(5) 1_555 1_555 1_555 1_555 yes
C(4) Ti Ru(1) C(10) -18.4(4) 1_555 1_555 1_555 1_555 yes
C(4) Ti C(1) C(5) 37.0(5) 1_555 1_555 1_555 1_555 yes
C(4) C(3) Ti C(5) -36.9(5) 1_555 1_555 1_555 1_555 yes
C(5) Ti Ru(1) C(6) -51.0(4) 1_555 1_555 1_555 1_555 yes
C(5) Ti Ru(1) C(7) -80.2(5) 1_555 1_555 1_555 1_555 yes
C(5) Ti Ru(1) C(8) -7(2) 1_555 1_555 1_555 1_555 yes
C(5) Ti Ru(1) C(9) 20.9(4) 1_555 1_555 1_555 1_555 yes
C(5) Ti Ru(1) C(10) -10.0(4) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(7) C(8) 116.0(9) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(7) C(12) -119(1) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(8) C(7) -38.4(5) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(8) C(9) 81.0(6) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(8) C(13) -158(1) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(9) C(8) -79.4(6) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(9) C(10) 38.0(5) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(9) C(14) 158(1) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(10) C(9) -118.2(8) 1_555 1_555 1_555 1_555 yes
C(6) Ru(1) C(10) C(15) 121(1) 1_555 1_555 1_555 1_555 yes
C(6) C(7) Ru(1) C(8) -116.0(9) 1_555 1_555 1_555 1_555 yes
C(6) C(7) Ru(1) C(9) -79.8(6) 1_555 1_555 1_555 1_555 yes
C(6) C(7) Ru(1) C(10) -38.5(5) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(9) 0(1) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(13) -177.7(8) 1_555 1_555 1_555 1_555 yes
C(6) C(10) Ru(1) C(7) 37.7(5) 1_555 1_555 1_555 1_555 yes
C(6) C(10) Ru(1) C(8) 80.6(6) 1_555 1_555 1_555 1_555 yes
C(6) C(10) Ru(1) C(9) 118.2(8) 1_555 1_555 1_555 1_555 yes
C(6) C(10) C(9) C(8) -1.0(9) 1_555 1_555 1_555 1_555 yes
C(6) C(10) C(9) C(14) 175.6(8) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(6) C(10) -116.9(8) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(6) C(11) 120(1) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(8) C(9) 119.3(8) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(8) C(13) -120(1) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(9) C(8) -36.8(6) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(9) C(10) 80.6(6) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(9) C(14) -158(1) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(10) C(9) -80.6(7) 1_555 1_555 1_555 1_555 yes
C(7) Ru(1) C(10) C(15) 158(1) 1_555 1_555 1_555 1_555 yes
C(7) C(6) Ru(1) C(8) 38.5(6) 1_555 1_555 1_555 1_555 yes
C(7) C(6) Ru(1) C(9) 80.7(7) 1_555 1_555 1_555 1_555 yes
C(7) C(6) Ru(1) C(10) 116.9(8) 1_555 1_555 1_555 1_555 yes
C(7) C(6) C(10) C(9) 1.1(9) 1_555 1_555 1_555 1_555 yes
C(7) C(6) C(10) C(15) 172.5(7) 1_555 1_555 1_555 1_555 yes
C(7) C(8) Ru(1) C(9) -119.3(8) 1_555 1_555 1_555 1_555 yes
C(7) C(8) Ru(1) C(10) -82.3(6) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(9) C(10) 0(1) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(9) C(14) -176.0(8) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(6) C(10) -78.4(6) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(6) C(11) 159(1) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(7) C(12) 124(1) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(9) C(10) 117.4(8) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(9) C(14) -122(1) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(10) C(9) -37.7(6) 1_555 1_555 1_555 1_555 yes
C(8) Ru(1) C(10) C(15) -158(1) 1_555 1_555 1_555 1_555 yes
C(8) C(7) Ru(1) C(9) 36.3(6) 1_555 1_555 1_555 1_555 yes
C(8) C(7) Ru(1) C(10) 77.5(7) 1_555 1_555 1_555 1_555 yes
C(8) C(7) C(6) C(10) -0.8(9) 1_555 1_555 1_555 1_555 yes
C(8) C(7) C(6) C(11) 172.9(8) 1_555 1_555 1_555 1_555 yes
C(8) C(9) Ru(1) C(10) -117.4(8) 1_555 1_555 1_555 1_555 yes
C(8) C(9) C(10) C(15) -172.6(7) 1_555 1_555 1_555 1_555 yes
C(9) Ru(1) C(6) C(10) -36.2(5) 1_555 1_555 1_555 1_555 yes
C(9) Ru(1) C(6) C(11) -158(1) 1_555 1_555 1_555 1_555 yes
C(9) Ru(1) C(7) C(12) 160(1) 1_555 1_555 1_555 1_555 yes
C(9) Ru(1) C(8) C(13) 120(1) 1_555 1_555 1_555 1_555 yes
C(9) Ru(1) C(10) C(15) -120(1) 1_555 1_555 1_555 1_555 yes
C(9) C(8) Ru(1) C(10) 37.0(5) 1_555 1_555 1_555 1_555 yes
C(9) C(8) C(7) C(12) 177.3(9) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(6) C(11) -172.4(8) 1_555 1_555 1_555 1_555 yes
C(10) Ru(1) C(6) C(11) -122(1) 1_555 1_555 1_555 1_555 yes
C(10) Ru(1) C(7) C(12) -158(1) 1_555 1_555 1_555 1_555 yes
C(10) Ru(1) C(8) C(13) 157(1) 1_555 1_555 1_555 1_555 yes
C(10) Ru(1) C(9) C(14) 120(1) 1_555 1_555 1_555 1_555 yes
C(10) C(6) C(7) C(12) -178.0(8) 1_555 1_555 1_555 1_555 yes
C(10) C(9) C(8) C(13) 178.4(8) 1_555 1_555 1_555 1_555 yes
C(11) C(6) C(7) C(12) -4(1) 1_555 1_555 1_555 1_555 yes
C(11) C(6) C(10) C(15) -1(1) 1_555 1_555 1_555 1_555 yes
C(12) C(7) C(8) C(13) 0(1) 1_555 1_555 1_555 1_555 yes
C(13) C(8) C(9) C(14) 1(1) 1_555 1_555 1_555 1_555 yes
C(14) C(9) C(10) C(15) 4(1) 1_555 1_555 1_555 1_555 yes
C(16) P(1) C(22) C(23) 76.3(6) 1_555 1_555 1_555 1_555 yes
C(16) P(1) C(22) C(27) -96.0(7) 1_555 1_555 1_555 1_555 yes
C(16) P(1) C(28) C(29) 142.7(6) 1_555 1_555 1_555 1_555 yes
C(16) P(1) C(28) C(33) -41.3(6) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(18) C(19) 0(1) 1_555 1_555 1_555 1_555 yes
C(16) C(21) C(20) C(19) 0(1) 1_555 1_555 1_555 1_555 yes
C(17) C(16) P(1) C(22) -142.0(6) 1_555 1_555 1_555 1_555 yes
C(17) C(16) P(1) C(28) 110.2(7) 1_555 1_555 1_555 1_555 yes
C(17) C(16) C(21) C(20) 0(1) 1_555 1_555 1_555 1_555 yes
C(17) C(18) C(19) C(20) 0(1) 1_555 1_555 1_555 1_555 yes
C(18) C(17) C(16) C(21) 0(1) 1_555 1_555 1_555 1_555 yes
C(18) C(19) C(20) C(21) 0(1) 1_555 1_555 1_555 1_555 yes
C(21) C(16) P(1) C(22) 41.0(6) 1_555 1_555 1_555 1_555 yes
C(21) C(16) P(1) C(28) -66.8(6) 1_555 1_555 1_555 1_555 yes
C(22) P(1) C(28) C(29) 43.1(7) 1_555 1_555 1_555 1_555 yes
C(22) P(1) C(28) C(33) -140.9(6) 1_555 1_555 1_555 1_555 yes
C(22) C(23) C(24) C(25) 1(1) 1_555 1_555 1_555 1_555 yes
C(22) C(27) C(26) C(25) 0(1) 1_555 1_555 1_555 1_555 yes
C(23) C(22) P(1) C(28) 175.8(5) 1_555 1_555 1_555 1_555 yes
C(23) C(22) C(27) C(26) 1(1) 1_555 1_555 1_555 1_555 yes
C(23) C(24) C(25) C(26) 0(1) 1_555 1_555 1_555 1_555 yes
C(24) C(23) C(22) C(27) -1(1) 1_555 1_555 1_555 1_555 yes
C(24) C(25) C(26) C(27) 0(1) 1_555 1_555 1_555 1_555 yes
C(27) C(22) P(1) C(28) 3.5(7) 1_555 1_555 1_555 1_555 yes
C(28) C(29) C(30) C(31) 0(1) 1_555 1_555 1_555 1_555 yes
C(28) C(33) C(32) C(31) 0(1) 1_555 1_555 1_555 1_555 yes
C(29) C(28) C(33) C(32) -2(1) 1_555 1_555 1_555 1_555 yes
C(29) C(30) C(31) C(32) -2(1) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(28) C(33) 1(1) 1_555 1_555 1_555 1_555 yes
C(30) C(31) C(32) C(33) 2(1) 1_555 1_555 1_555 1_555 yes
C(34) P(2) C(40) C(41) 90.1(6) 1_555 1_555 1_555 1_555 yes
C(34) P(2) C(40) C(45) -82.3(7) 1_555 1_555 1_555 1_555 yes
C(34) P(2) C(46) C(47) 154.2(5) 1_555 1_555 1_555 1_555 yes
C(34) P(2) C(46) C(51) -33.6(7) 1_555 1_555 1_555 1_555 yes
C(34) C(35) C(36) C(37) 1(1) 1_555 1_555 1_555 1_555 yes
C(34) C(39) C(38) C(37) 0(1) 1_555 1_555 1_555 1_555 yes
C(35) C(34) P(2) C(40) -105.0(6) 1_555 1_555 1_555 1_555 yes
C(35) C(34) P(2) C(46) 150.7(6) 1_555 1_555 1_555 1_555 yes
C(35) C(34) C(39) C(38) -1(1) 1_555 1_555 1_555 1_555 yes
C(35) C(36) C(37) C(38) -3(1) 1_555 1_555 1_555 1_555 yes
C(36) C(35) C(34) C(39) 0(1) 1_555 1_555 1_555 1_555 yes
C(36) C(37) C(38) C(39) 2(1) 1_555 1_555 1_555 1_555 yes
C(39) C(34) P(2) C(40) 70.7(7) 1_555 1_555 1_555 1_555 yes
C(39) C(34) P(2) C(46) -33.6(7) 1_555 1_555 1_555 1_555 yes
C(40) P(2) C(46) C(47) 54.4(6) 1_555 1_555 1_555 1_555 yes
C(40) P(2) C(46) C(51) -133.4(6) 1_555 1_555 1_555 1_555 yes
C(40) C(41) C(42) C(43) 0(1) 1_555 1_555 1_555 1_555 yes
C(40) C(45) C(44) C(43) 0(1) 1_555 1_555 1_555 1_555 yes
C(41) C(40) P(2) C(46) -163.0(6) 1_555 1_555 1_555 1_555 yes
C(41) C(40) C(45) C(44) 1(1) 1_555 1_555 1_555 1_555 yes
C(41) C(42) C(43) C(44) 1(1) 1_555 1_555 1_555 1_555 yes
C(42) C(41) C(40) C(45) -1(1) 1_555 1_555 1_555 1_555 yes
C(42) C(43) C(44) C(45) 0(1) 1_555 1_555 1_555 1_555 yes
C(45) C(40) P(2) C(46) 24.6(7) 1_555 1_555 1_555 1_555 yes
C(46) C(47) C(48) C(49) -2(1) 1_555 1_555 1_555 1_555 yes
C(46) C(51) C(50) C(49) 1(1) 1_555 1_555 1_555 1_555 yes
C(47) C(46) C(51) C(50) -3(1) 1_555 1_555 1_555 1_555 yes
C(47) C(48) C(49) C(50) 0(1) 1_555 1_555 1_555 1_555 yes
C(48) C(47) C(46) C(51) 3(1) 1_555 1_555 1_555 1_555 yes
C(48) C(49) C(50) C(51) 0(1) 1_555 1_555 1_555 1_555 yes
