#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/40/4064036.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_4064036
loop_
_publ_author_name
'Oya, Kazumasa'
'Seino, Hidetake'
'Akiizumi, Midori'
'Mizobe, Yasushi'
_publ_section_title
;
 Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M =
 Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand.
 Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to
 O═PPh3by Molecular O2
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2939
_journal_paper_doi               10.1021/om101095a
_journal_volume                  30
_journal_year                    2011
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C22 H34 Cl5 Ru2 S Sb '
_chemical_formula_sum            'C22 H34 Cl5 Ru2 S Sb'
_chemical_formula_weight         831.73
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.759(3)
_cell_length_b                   13.574(4)
_cell_length_c                   19.806(5)
_cell_measurement_reflns_used    7518
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     2892.5(14)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      293.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23681
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_exptl_absorpt_coefficient_mu    2.501
_exptl_absorpt_correction_T_max  0.606
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            darkbrown
_exptl_crystal_density_diffrn    1.910
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1624.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.04
_refine_diff_density_min         -0.73
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  3028 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.41(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     282
_refine_ls_number_reflns         6878
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                5463
_reflns_number_total             6878
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om101095a_si_002.cif
_cod_data_source_block           '__[(Cp^RuCl)2Cl(SSbCl2)]_(3b)'
_cod_original_cell_volume        2892.4(13)
_cod_original_formula_sum        'C22 H34 Cl5 Ru2 S Sb '
_cod_database_code               4064036
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2+X,1/2-Y,-Z
3 -X,1/2+Y,1/2-Z
4 1/2-X,-Y,1/2+Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sb(1) Sb 0.78724(5) 0.52484(4) 0.11559(3) 0.03645(14) Uani 1.00 1 d .
Ru(1) Ru 0.49485(6) 0.40648(4) 0.18631(3) 0.02977(14) Uani 1.00 1 d .
Ru(2) Ru 0.44656(5) 0.51271(4) 0.06324(3) 0.02664(14) Uani 1.00 1 d .
Cl(1) Cl 0.64122(19) 0.52473(16) 0.23265(9) 0.0434(4) Uani 1.00 1 d .
Cl(2) Cl 0.5875(2) 0.64992(15) 0.08288(11) 0.0429(5) Uani 1.00 1 d .
Cl(3) Cl 0.35661(18) 0.54049(14) 0.17109(10) 0.0391(4) Uani 1.00 1 d .
Cl(4) Cl 0.9062(2) 0.38396(18) 0.15631(13) 0.0580(6) Uani 1.00 1 d .
Cl(5) Cl 0.8541(2) 0.5057(2) -0.00213(11) 0.0584(6) Uani 1.00 1 d .
S(1) S 0.61281(17) 0.41022(15) 0.08827(9) 0.0293(4) Uani 1.00 1 d .
C(1) C 0.3509(7) 0.3091(5) 0.2242(4) 0.0372(18) Uani 1.00 1 d .
C(2) C 0.4270(7) 0.2511(5) 0.1800(4) 0.0373(18) Uani 1.00 1 d .
C(3) C 0.5504(8) 0.2503(5) 0.2068(3) 0.0407(19) Uani 1.00 1 d .
C(4) C 0.5485(7) 0.3027(5) 0.2686(3) 0.0369(18) Uani 1.00 1 d .
C(5) C 0.4280(8) 0.3422(5) 0.2801(4) 0.0391(19) Uani 1.00 1 d .
C(6) C 0.2110(8) 0.3201(7) 0.2183(5) 0.056(2) Uani 1.00 1 d .
C(7) C 0.1406(8) 0.2400(7) 0.2549(6) 0.068(3) Uani 1.00 1 d .
C(8) C 0.3854(10) 0.1885(6) 0.1218(4) 0.064(2) Uani 1.00 1 d .
C(9) C 0.6535(8) 0.1945(6) 0.1792(4) 0.055(2) Uani 1.00 1 d .
C(10) C 0.6578(8) 0.3117(7) 0.3159(4) 0.062(2) Uani 1.00 1 d .
C(11) C 0.3847(9) 0.3952(6) 0.3411(4) 0.055(2) Uani 1.00 1 d .
C(12) C 0.4539(6) 0.5157(6) -0.0458(3) 0.0382(18) Uani 1.00 1 d .
C(13) C 0.3904(7) 0.4268(5) -0.0253(4) 0.0381(19) Uani 1.00 1 d .
C(14) C 0.2822(6) 0.4522(5) 0.0090(3) 0.0287(15) Uani 1.00 1 d .
C(15) C 0.2716(7) 0.5554(6) 0.0097(4) 0.043(2) Uani 1.00 1 d .
C(16) C 0.3763(7) 0.5958(6) -0.0249(3) 0.0358(17) Uani 1.00 1 d .
C(17) C 0.5676(8) 0.5263(8) -0.0907(4) 0.059(2) Uani 1.00 1 d .
C(18) C 0.5272(9) 0.5227(9) -0.1652(3) 0.080(3) Uani 1.00 1 d .
C(19) C 0.4395(9) 0.3232(6) -0.0446(4) 0.055(2) Uani 1.00 1 d .
C(20) C 0.1803(7) 0.3836(7) 0.0328(5) 0.057(2) Uani 1.00 1 d .
C(21) C 0.1691(8) 0.6137(8) 0.0385(5) 0.063(2) Uani 1.00 1 d .
C(22) C 0.3965(9) 0.7057(6) -0.0375(5) 0.065(3) Uani 1.00 1 d .
H(6A) H 0.1867 0.3836 0.2364 0.067 Uiso 1.00 1 c R
H(6B) H 0.1881 0.3189 0.1709 0.067 Uiso 1.00 1 c R
H(7A) H 0.0529 0.2500 0.2492 0.081 Uiso 1.00 1 c R
H(7B) H 0.1607 0.2421 0.3021 0.081 Uiso 1.00 1 c R
H(7C) H 0.1634 0.1770 0.2368 0.081 Uiso 1.00 1 c R
H(8A) H 0.2993 0.2011 0.1126 0.077 Uiso 1.00 1 c R
H(8B) H 0.3963 0.1202 0.1330 0.077 Uiso 1.00 1 c R
H(8C) H 0.4341 0.2041 0.0826 0.077 Uiso 1.00 1 c R
H(9A) H 0.7266 0.2061 0.2058 0.066 Uiso 1.00 1 c R
H(9B) H 0.6685 0.2149 0.1335 0.066 Uiso 1.00 1 c R
H(9C) H 0.6337 0.1255 0.1800 0.066 Uiso 1.00 1 c R
H(10A) H 0.6346 0.3509 0.3543 0.075 Uiso 1.00 1 c R
H(10B) H 0.7259 0.3426 0.2928 0.075 Uiso 1.00 1 c R
H(10C) H 0.6825 0.2473 0.3309 0.075 Uiso 1.00 1 c R
H(11A) H 0.2991 0.4135 0.3355 0.066 Uiso 1.00 1 c R
H(11B) H 0.4340 0.4534 0.3475 0.066 Uiso 1.00 1 c R
H(11C) H 0.3929 0.3531 0.3798 0.066 Uiso 1.00 1 c R
H(17A) H 0.6257 0.4733 -0.0814 0.071 Uiso 1.00 1 c R
H(17B) H 0.6088 0.5884 -0.0813 0.071 Uiso 1.00 1 c R
H(18A) H 0.5991 0.5285 -0.1937 0.096 Uiso 1.00 1 c R
H(18B) H 0.4712 0.5762 -0.1743 0.096 Uiso 1.00 1 c R
H(18C) H 0.4862 0.4613 -0.1741 0.096 Uiso 1.00 1 c R
H(19A) H 0.5173 0.3297 -0.0679 0.066 Uiso 1.00 1 c R
H(19B) H 0.3804 0.2911 -0.0735 0.066 Uiso 1.00 1 c R
H(19C) H 0.4512 0.2847 -0.0045 0.066 Uiso 1.00 1 c R
H(20A) H 0.1165 0.4210 0.0549 0.068 Uiso 1.00 1 c R
H(20B) H 0.2143 0.3364 0.0638 0.068 Uiso 1.00 1 c R
H(20C) H 0.1455 0.3497 -0.0054 0.068 Uiso 1.00 1 c R
H(21A) H 0.1858 0.6825 0.0321 0.076 Uiso 1.00 1 c R
H(21B) H 0.1620 0.5999 0.0859 0.076 Uiso 1.00 1 c R
H(21C) H 0.0928 0.5967 0.0162 0.076 Uiso 1.00 1 c R
H(22A) H 0.3300 0.7425 -0.0173 0.078 Uiso 1.00 1 c R
H(22B) H 0.3981 0.7180 -0.0853 0.078 Uiso 1.00 1 c R
H(22C) H 0.4742 0.7257 -0.0180 0.078 Uiso 1.00 1 c R
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 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
S S 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.259 0.836
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sb Sb -0.587 1.546
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
Cl(1) Sb(1) Cl(2) 76.26(6) yes
Cl(1) Sb(1) Cl(4) 91.16(7) yes
Cl(1) Sb(1) Cl(5) 161.99(7) yes
Cl(1) Sb(1) S(1) 75.96(6) yes
Cl(2) Sb(1) Cl(4) 161.82(7) yes
Cl(2) Sb(1) Cl(5) 93.97(7) yes
Cl(2) Sb(1) S(1) 75.65(6) yes
Cl(4) Sb(1) Cl(5) 94.42(8) yes
Cl(4) Sb(1) S(1) 88.71(7) yes
Cl(5) Sb(1) S(1) 87.04(7) yes
Ru(2) Ru(1) Cl(1) 96.08(5) yes
Ru(2) Ru(1) Cl(3) 52.73(5) yes
Ru(2) Ru(1) S(1) 51.63(4) yes
Ru(2) Ru(1) C(1) 118.0(2) yes
Ru(2) Ru(1) C(2) 111.5(2) yes
Ru(2) Ru(1) C(3) 132.52(19) yes
Ru(2) Ru(1) C(4) 169.00(19) yes
Ru(2) Ru(1) C(5) 149.8(2) yes
Cl(1) Ru(1) Cl(3) 87.00(7) yes
Cl(1) Ru(1) S(1) 86.97(6) yes
Cl(1) Ru(1) C(1) 137.3(2) yes
Cl(1) Ru(1) C(2) 148.9(2) yes
Cl(1) Ru(1) C(3) 112.6(2) yes
Cl(1) Ru(1) C(4) 88.5(2) yes
Cl(1) Ru(1) C(5) 99.0(2) yes
Cl(3) Ru(1) S(1) 102.72(7) yes
Cl(3) Ru(1) C(1) 93.7(2) yes
Cl(3) Ru(1) C(2) 120.8(2) yes
Cl(3) Ru(1) C(3) 156.6(2) yes
Cl(3) Ru(1) C(4) 137.8(2) yes
Cl(3) Ru(1) C(5) 102.1(2) yes
S(1) Ru(1) C(1) 133.9(2) yes
S(1) Ru(1) C(2) 98.8(2) yes
S(1) Ru(1) C(3) 91.5(2) yes
S(1) Ru(1) C(4) 118.9(2) yes
S(1) Ru(1) C(5) 154.8(2) yes
C(1) Ru(1) C(2) 38.0(2) yes
C(1) Ru(1) C(3) 63.3(3) yes
C(1) Ru(1) C(4) 63.1(2) yes
C(1) Ru(1) C(5) 39.1(3) yes
C(2) Ru(1) C(3) 37.3(3) yes
C(2) Ru(1) C(4) 61.9(2) yes
C(2) Ru(1) C(5) 64.0(2) yes
C(3) Ru(1) C(4) 36.9(2) yes
C(3) Ru(1) C(5) 63.5(2) yes
C(4) Ru(1) C(5) 37.7(3) yes
Ru(1) Ru(2) Cl(2) 97.79(5) yes
Ru(1) Ru(2) Cl(3) 52.53(4) yes
Ru(1) Ru(2) S(1) 51.65(4) yes
Ru(1) Ru(2) C(12) 148.1(2) yes
Ru(1) Ru(2) C(13) 117.4(2) yes
Ru(1) Ru(2) C(14) 111.53(18) yes
Ru(1) Ru(2) C(15) 133.1(2) yes
Ru(1) Ru(2) C(16) 170.2(2) yes
Cl(2) Ru(2) Cl(3) 89.35(7) yes
Cl(2) Ru(2) S(1) 86.81(7) yes
Cl(2) Ru(2) C(12) 97.0(2) yes
Cl(2) Ru(2) C(13) 135.0(2) yes
Cl(2) Ru(2) C(14) 148.72(19) yes
Cl(2) Ru(2) C(15) 113.7(2) yes
Cl(2) Ru(2) C(16) 87.1(2) yes
Cl(3) Ru(2) S(1) 102.55(6) yes
Cl(3) Ru(2) C(12) 155.6(2) yes
Cl(3) Ru(2) C(13) 133.8(2) yes
Cl(3) Ru(2) C(14) 99.71(18) yes
Cl(3) Ru(2) C(15) 92.4(2) yes
Cl(3) Ru(2) C(16) 119.3(2) yes
S(1) Ru(2) C(12) 101.4(2) yes
S(1) Ru(2) C(13) 93.7(2) yes
S(1) Ru(2) C(14) 119.64(19) yes
S(1) Ru(2) C(15) 154.9(2) yes
S(1) Ru(2) C(16) 137.6(2) yes
C(12) Ru(2) C(13) 38.8(3) yes
C(12) Ru(2) C(14) 63.5(2) yes
C(12) Ru(2) C(15) 63.4(2) yes
C(12) Ru(2) C(16) 38.2(3) yes
C(13) Ru(2) C(14) 36.7(2) yes
C(13) Ru(2) C(15) 61.7(3) yes
C(13) Ru(2) C(16) 63.0(2) yes
C(14) Ru(2) C(15) 36.7(2) yes
C(14) Ru(2) C(16) 62.3(2) yes
C(15) Ru(2) C(16) 37.5(3) yes
Sb(1) Cl(1) Ru(1) 92.94(6) yes
Sb(1) Cl(2) Ru(2) 92.92(6) yes
Ru(1) Cl(3) Ru(2) 74.73(6) yes
Sb(1) S(1) Ru(1) 104.09(7) yes
Sb(1) S(1) Ru(2) 104.61(7) yes
Ru(1) S(1) Ru(2) 76.71(6) yes
Ru(1) C(1) C(2) 73.5(4) yes
Ru(1) C(1) C(5) 70.6(4) yes
Ru(1) C(1) C(6) 128.4(5) yes
C(2) C(1) C(5) 108.0(6) yes
C(2) C(1) C(6) 124.9(7) yes
C(5) C(1) C(6) 126.5(7) yes
Ru(1) C(2) C(1) 68.5(4) yes
Ru(1) C(2) C(3) 71.5(4) yes
Ru(1) C(2) C(8) 132.5(5) yes
C(1) C(2) C(3) 107.8(6) yes
C(1) C(2) C(8) 127.6(7) yes
C(3) C(2) C(8) 124.0(7) yes
Ru(1) C(3) C(2) 71.2(4) yes
Ru(1) C(3) C(4) 71.2(4) yes
Ru(1) C(3) C(9) 129.0(5) yes
C(2) C(3) C(4) 107.7(7) yes
C(2) C(3) C(9) 125.0(7) yes
C(4) C(3) C(9) 126.8(8) yes
Ru(1) C(4) C(3) 71.9(4) yes
Ru(1) C(4) C(5) 69.0(4) yes
Ru(1) C(4) C(10) 127.2(5) yes
C(3) C(4) C(5) 109.9(7) yes
C(3) C(4) C(10) 124.5(7) yes
C(5) C(4) C(10) 125.5(7) yes
Ru(1) C(5) C(1) 70.3(4) yes
Ru(1) C(5) C(4) 73.3(4) yes
Ru(1) C(5) C(11) 127.3(5) yes
C(1) C(5) C(4) 106.4(6) yes
C(1) C(5) C(11) 126.3(7) yes
C(4) C(5) C(11) 126.9(7) yes
C(1) C(6) C(7) 112.9(7) yes
Ru(2) C(12) C(13) 71.7(4) yes
Ru(2) C(12) C(16) 72.8(4) yes
Ru(2) C(12) C(17) 128.0(5) yes
C(13) C(12) C(16) 106.1(6) yes
C(13) C(12) C(17) 128.6(7) yes
C(16) C(12) C(17) 124.5(7) yes
Ru(2) C(13) C(12) 69.5(4) yes
Ru(2) C(13) C(14) 73.0(4) yes
Ru(2) C(13) C(19) 125.9(5) yes
C(12) C(13) C(14) 109.0(6) yes
C(12) C(13) C(19) 121.8(7) yes
C(14) C(13) C(19) 129.1(7) yes
Ru(2) C(14) C(13) 70.3(4) yes
Ru(2) C(14) C(15) 72.1(4) yes
Ru(2) C(14) C(20) 130.7(5) yes
C(13) C(14) C(15) 108.7(6) yes
C(13) C(14) C(20) 127.2(7) yes
C(15) C(14) C(20) 123.5(7) yes
Ru(2) C(15) C(14) 71.2(4) yes
Ru(2) C(15) C(16) 70.3(4) yes
Ru(2) C(15) C(21) 125.9(6) yes
C(14) C(15) C(16) 108.3(7) yes
C(14) C(15) C(21) 126.9(7) yes
C(16) C(15) C(21) 124.7(7) yes
Ru(2) C(16) C(12) 69.0(4) yes
Ru(2) C(16) C(15) 72.2(4) yes
Ru(2) C(16) C(22) 125.3(6) yes
C(12) C(16) C(15) 107.8(7) yes
C(12) C(16) C(22) 127.7(7) yes
C(15) C(16) C(22) 124.5(7) yes
C(12) C(17) C(18) 109.3(6) yes
C(1) C(6) H(6A) 109.0 no
C(1) C(6) H(6B) 109.0 no
C(7) C(6) H(6A) 109.0 no
C(7) C(6) H(6B) 109.0 no
H(6A) C(6) H(6B) 107.8 no
C(6) C(7) H(7A) 109.5 no
C(6) C(7) H(7B) 109.5 no
C(6) C(7) H(7C) 109.5 no
H(7A) C(7) H(7B) 109.5 no
H(7A) C(7) H(7C) 109.5 no
H(7B) C(7) H(7C) 109.5 no
C(2) C(8) H(8A) 109.5 no
C(2) C(8) H(8B) 109.5 no
C(2) C(8) H(8C) 109.5 no
H(8A) C(8) H(8B) 109.5 no
H(8A) C(8) H(8C) 109.5 no
H(8B) C(8) H(8C) 109.5 no
C(3) C(9) H(9A) 109.5 no
C(3) C(9) H(9B) 109.5 no
C(3) C(9) H(9C) 109.5 no
H(9A) C(9) H(9B) 109.5 no
H(9A) C(9) H(9C) 109.5 no
H(9B) C(9) H(9C) 109.5 no
C(4) C(10) H(10A) 109.5 no
C(4) C(10) H(10B) 109.5 no
C(4) C(10) H(10C) 109.5 no
H(10A) C(10) H(10B) 109.5 no
H(10A) C(10) H(10C) 109.5 no
H(10B) C(10) H(10C) 109.5 no
C(5) C(11) H(11A) 109.5 no
C(5) C(11) H(11B) 109.5 no
C(5) C(11) H(11C) 109.5 no
H(11A) C(11) H(11B) 109.5 no
H(11A) C(11) H(11C) 109.5 no
H(11B) C(11) H(11C) 109.5 no
C(12) C(17) H(17A) 109.8 no
C(12) C(17) H(17B) 109.8 no
C(18) C(17) H(17A) 109.8 no
C(18) C(17) H(17B) 109.8 no
H(17A) C(17) H(17B) 108.3 no
C(17) C(18) H(18A) 109.5 no
C(17) C(18) H(18B) 109.5 no
C(17) C(18) H(18C) 109.5 no
H(18A) C(18) H(18B) 109.5 no
H(18A) C(18) H(18C) 109.5 no
H(18B) C(18) H(18C) 109.5 no
C(13) C(19) H(19A) 109.5 no
C(13) C(19) H(19B) 109.5 no
C(13) C(19) H(19C) 109.5 no
H(19A) C(19) H(19B) 109.5 no
H(19A) C(19) H(19C) 109.5 no
H(19B) C(19) H(19C) 109.5 no
C(14) C(20) H(20A) 109.5 no
C(14) C(20) H(20B) 109.5 no
C(14) C(20) H(20C) 109.5 no
H(20A) C(20) H(20B) 109.5 no
H(20A) C(20) H(20C) 109.5 no
H(20B) C(20) H(20C) 109.5 no
C(15) C(21) H(21A) 109.5 no
C(15) C(21) H(21B) 109.5 no
C(15) C(21) H(21C) 109.5 no
H(21A) C(21) H(21B) 109.5 no
H(21A) C(21) H(21C) 109.5 no
H(21B) C(21) H(21C) 109.5 no
C(16) C(22) H(22A) 109.5 no
C(16) C(22) H(22B) 109.5 no
C(16) C(22) H(22C) 109.5 no
H(22A) C(22) H(22B) 109.5 no
H(22A) C(22) H(22C) 109.5 no
H(22B) C(22) H(22C) 109.5 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Sb(1) Cl(1) 2.8006(19) yes
Sb(1) Cl(2) 2.814(2) yes
Sb(1) Cl(4) 2.438(2) yes
Sb(1) Cl(5) 2.454(2) yes
Sb(1) S(1) 2.4971(19) yes
Ru(1) Ru(2) 2.8793(8) yes
Ru(1) Cl(1) 2.429(2) yes
Ru(1) Cl(3) 2.369(2) yes
Ru(1) S(1) 2.3203(18) yes
Ru(1) C(1) 2.170(8) yes
Ru(1) C(2) 2.236(7) yes
Ru(1) C(3) 2.239(7) yes
Ru(1) C(4) 2.229(7) yes
Ru(1) C(5) 2.174(8) yes
Ru(2) Cl(2) 2.433(2) yes
Ru(2) Cl(3) 2.375(2) yes
Ru(2) S(1) 2.3196(19) yes
Ru(2) C(12) 2.161(6) yes
Ru(2) C(13) 2.190(7) yes
Ru(2) C(14) 2.225(7) yes
Ru(2) C(15) 2.237(8) yes
Ru(2) C(16) 2.212(7) yes
C(1) C(2) 1.435(11) yes
C(1) C(5) 1.453(11) yes
C(1) C(6) 1.517(12) yes
C(2) C(3) 1.430(12) yes
C(2) C(8) 1.500(12) yes
C(3) C(4) 1.414(10) yes
C(3) C(9) 1.451(12) yes
C(4) C(5) 1.422(11) yes
C(4) C(10) 1.509(12) yes
C(5) C(11) 1.481(11) yes
C(6) C(7) 1.511(14) yes
C(12) C(13) 1.445(11) yes
C(12) C(16) 1.432(11) yes
C(12) C(17) 1.519(10) yes
C(13) C(14) 1.391(10) yes
C(13) C(19) 1.551(11) yes
C(14) C(15) 1.405(11) yes
C(14) C(20) 1.514(11) yes
C(15) C(16) 1.429(11) yes
C(15) C(21) 1.472(12) yes
C(16) C(22) 1.528(12) yes
C(17) C(18) 1.540(11) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
Sb(1) Ru(1) 3.7999(8)
Sb(1) Ru(2) 3.8128(7)
