#------------------------------------------------------------------------------ #$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $ #$Revision: 32112 $ #$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200848.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2200848 loop_ _publ_author_name 'Chandra, Manish' 'Pandey, D.Shankar' 'Puerta, M. Carmen' 'Valerga, Pedro' _publ_section_title ; A p-cymene-ruthenium(II)--DMSO complex, [(\h^6^-C~10~H~14~)RuCl~2~(DMSO)] ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m28 _journal_page_last m29 _journal_volume 58 _journal_year 2002 _chemical_formula_iupac '[Ru Cl2 (C10 H14) (C2 H6O S)]' _chemical_formula_moiety 'C12 H20 Cl2 O Ru S' _chemical_formula_sum 'C12 H20 Cl2 O Ru S' _chemical_formula_weight 384.31 _chemical_name_systematic ; 'di(chloro)(hexahapto-para-cymene)(dimethylsulphoxide)ruthenium (II)' ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 106.850(11) _cell_angle_beta 94.395(15) _cell_angle_gamma 99.697(13) _cell_formula_units_Z 2 _cell_length_a 7.8522(16) _cell_length_b 9.4124(9) _cell_length_c 10.9151(17) _cell_measurement_reflns_used 25 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 12.10 _cell_measurement_theta_min 5.17 _cell_volume 754.3(2) _computing_cell_refinement 'CAD-4 Software' _computing_data_collection 'CAD-4 Software (Enraf-Nonius, 1989)' _computing_data_reduction 'maXus (Mackay et al., 1998)' _computing_molecular_graphics 'ORTEP-3 (Farrugia, 1997)' _computing_publication_material SHELXL97 _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full .991 _diffrn_measured_fraction_theta_max .991 _diffrn_measurement_device_type 'Enraf-Nonius CAD-4' _diffrn_measurement_method \w/2\q _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength .71073 _diffrn_reflns_av_R_equivalents .0000 _diffrn_reflns_av_sigmaI/netI .0253 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 2632 _diffrn_reflns_theta_full 24.98 _diffrn_reflns_theta_max 24.98 _diffrn_reflns_theta_min 1.97 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 100 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 1.514 _exptl_absorpt_correction_T_max .860 _exptl_absorpt_correction_T_min .836 _exptl_absorpt_correction_type '\y scan' _exptl_absorpt_process_details '(North et al., 1968)' _exptl_crystal_colour brown _exptl_crystal_density_diffrn 1.692 _exptl_crystal_density_method 'not measured' _exptl_crystal_description needle _exptl_crystal_F_000 388 _exptl_crystal_size_max .4 _exptl_crystal_size_mid .1 _exptl_crystal_size_min .1 _refine_diff_density_max 1.260 _refine_diff_density_min -.833 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.072 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 154 _refine_ls_number_reflns 2632 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.072 _refine_ls_R_factor_all .0381 _refine_ls_R_factor_gt .0329 _refine_ls_shift/su_max .001 _refine_ls_shift/su_mean .000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.067P)^2^] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt .0886 _refine_ls_wR_factor_ref .0901 _reflns_number_gt 2373 _reflns_number_total 2632 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file cf6137.cif _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M P-1 _cod_database_code 2200848 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Ru1 .29833(3) .31308(3) .26131(2) .02468(13) Uani d . 1 . . Ru Cl1 .58313(11) .25448(12) .29023(9) .0407(2) Uani d . 1 . . Cl Cl2 .43520(14) .53239(11) .20865(10) .0467(3) Uani d . 1 . . Cl S1 .28705(12) .17812(10) .04298(8) .0327(2) Uani d . 1 . . S C1 .2167(4) .1968(4) .4017(3) .0298(7) Uani d . 1 . . C C2 .2655(5) .3569(4) .4671(3) .0341(8) Uani d . 1 . . C H2 .3477 .3923 .5407 .041 Uiso calc R 1 . . H C3 .1921(5) .4590(4) .4222(4) .0368(9) Uani d . 1 . . C H3 .2254 .5620 .4664 .044 Uiso calc R 1 . . H C4 .0655(5) .4093(4) .3088(4) .0342(8) Uani d . 1 . . C C5 .0137(4) .2525(4) .2463(3) .0325(8) Uani d . 1 . . C H5 -.0709 .2173 .1742 .039 Uiso calc R 1 . . H C6 .0890(4) .1479(4) .2919(3) .0291(7) Uani d . 1 . . C H6 .0537 .0448 .2487 .035 Uiso calc R 1 . . H C7 .3045(5) .0871(5) .4507(4) .0390(9) Uani d . 1 . . C H7 .4303 .1270 .4640 .047 Uiso calc R 1 . . H C8 .2726(7) -.0713(5) .3530(5) .0570(12) Uani d . 1 . . C H8A .3275 -.1363 .3895 .086 Uiso calc R 1 . . H H8B .3208 -.0658 .2760 .086 Uiso calc R 1 . . H H8C .1495 -.1114 .3324 .086 Uiso calc R 1 . . H C9 .2518(6) .0862(6) .5823(4) .0556(12) Uani d . 1 . . C H9A .3077 .0172 .6126 .083 Uiso calc R 1 . . H H9B .1276 .0545 .5744 .083 Uiso calc R 1 . . H H9C .2870 .1862 .6426 .083 Uiso calc R 1 . . H C10 -.0103(6) .5216(5) .2576(5) .0537(11) Uani d . 1 . . C H10A .0354 .6224 .3142 .081 Uiso calc R 1 . . H H10B -.1349 .4999 .2533 .081 Uiso calc R 1 . . H H10C .0207 .5138 .1729 .081 Uiso calc R 1 . . H O1 .2148(4) .0139(3) .0064(3) .0498(7) Uani d . 1 . . O C11 .4867(6) .2036(5) -.0214(4) .0475(10) Uani d . 1 . . C H11A .5346 .3098 -.0003 .071 Uiso calc R 1 . . H H11B .4661 .1590 -.1136 .071 Uiso calc R 1 . . H H11C .5673 .1556 .0147 .071 Uiso calc R 1 . . H C12 .1588(6) .2555(6) -.0535(4) .0564(12) Uani d . 1 . . C H12A .2038 .3622 -.0329 .085 Uiso calc R 1 . . H H12B .0402 .2393 -.0363 .085 Uiso calc R 1 . . H H12C .1634 .2066 -.1432 .085 Uiso calc R 1 . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ru1 .02448(18) .02340(18) .01861(18) -.00334(11) -.00319(11) .00100(12) Cl1 .0266(4) .0573(6) .0353(5) .0044(4) .0000(4) .0131(5) Cl2 .0561(6) .0332(5) .0460(6) -.0071(4) .0063(5) .0140(4) S1 .0337(5) .0355(5) .0206(4) .0021(4) -.0016(4) .0001(4) C1 .0292(18) .0345(19) .0241(17) .0005(14) .0040(14) .0099(15) C2 .0320(19) .040(2) .0221(17) -.0026(16) .0016(14) .0021(15) C3 .040(2) .0271(18) .033(2) .0013(15) .0098(16) -.0042(16) C4 .0313(19) .0343(19) .037(2) .0098(15) .0084(16) .0078(16) C5 .0225(17) .039(2) .0307(18) -.0027(15) -.0007(14) .0087(16) C6 .0232(16) .0282(17) .0284(18) -.0071(13) .0016(14) .0043(15) C7 .0291(19) .051(2) .040(2) .0027(17) .0011(16) .0233(19) C8 .061(3) .045(3) .065(3) .013(2) -.004(2) .019(2) C9 .049(3) .080(3) .050(3) .004(2) .005(2) .043(3) C10 .054(3) .044(2) .070(3) .020(2) .013(2) .021(2) O1 .0529(18) .0351(15) .0428(17) -.0036(13) .0033(14) -.0088(13) C11 .047(2) .062(3) .033(2) .008(2) .0143(18) .014(2) C12 .062(3) .078(3) .027(2) .020(3) -.008(2) .013(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ru1 Cl1 . 2.4111(10) yes Ru1 Cl2 . 2.4045(10) yes Ru1 S1 . 2.3400(10) yes Ru1 C1 . 2.201(3) yes Ru1 C2 . 2.207(4) yes Ru1 C3 . 2.209(3) yes Ru1 C4 . 2.205(4) yes Ru1 C5 . 2.192(3) yes Ru1 C6 . 2.181(3) yes S1 O1 . 1.477(3) yes S1 C11 . 1.774(4) yes S1 C12 . 1.784(4) yes C1 C6 . 1.412(5) no C1 C2 . 1.438(5) no C1 C7 . 1.527(5) no C2 C3 . 1.383(6) no C2 H2 . .930 no C3 C4 . 1.435(6) no C3 H3 . .930 no C4 C5 . 1.407(5) no C4 C10 . 1.512(6) no C5 C6 . 1.416(5) no C5 H5 . .930 no C6 H6 . .930 no C7 C9 . 1.527(5) no C7 C8 . 1.527(6) no C7 H7 . .980 no C8 H8A . .960 no C8 H8B . .960 no C8 H8C . .960 no C9 H9A . .960 no C9 H9B . .960 no C9 H9C . .960 no C10 H10A . .960 no C10 H10B . .960 no C10 H10C . .960 no C11 H11A . .960 no C11 H11B . .960 no C11 H11C . .960 no C12 H12A . .960 no C12 H12B . .960 no C12 H12C . .960 no loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 .8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S .1246 .1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag Cl1 Ru1 Cl2 88.05(4) yes S1 Ru1 Cl1 86.28(4) yes S1 Ru1 Cl2 86.74(4) yes O1 S1 Ru1 115.71(13) yes C11 S1 Ru1 115.07(15) yes C12 S1 Ru1 109.49(16) yes O1 S1 C11 108.2(2) yes O1 S1 C12 107.5(2) yes C11 S1 C12 99.5(2) yes C6 Ru1 C5 37.77(13) no C6 Ru1 C1 37.60(13) no C5 Ru1 C1 68.26(13) no C6 Ru1 C4 68.02(14) no C5 Ru1 C4 37.31(14) no C1 Ru1 C4 81.25(14) no C6 Ru1 C2 67.51(13) no C5 Ru1 C2 79.59(14) no C1 Ru1 C2 38.07(13) no C4 Ru1 C2 67.69(14) no C6 Ru1 C3 79.41(14) no C5 Ru1 C3 67.19(14) no C1 Ru1 C3 67.64(14) no C4 Ru1 C3 37.94(15) no C2 Ru1 C3 36.52(15) no C6 Ru1 S1 93.36(10) no C5 Ru1 S1 90.42(10) no C1 Ru1 S1 121.06(10) no C4 Ru1 S1 114.19(11) no C2 Ru1 S1 159.07(10) no C3 Ru1 S1 151.89(11) no C6 Ru1 Cl2 158.37(10) no C5 Ru1 Cl2 120.62(10) no C1 Ru1 Cl2 151.75(10) no C4 Ru1 Cl2 92.21(10) no C2 Ru1 Cl2 114.18(10) no C3 Ru1 Cl2 90.35(10) no C6 Ru1 Cl1 113.55(10) no C5 Ru1 Cl1 150.93(10) no C1 Ru1 Cl1 88.87(10) no C4 Ru1 Cl1 159.51(11) no C2 Ru1 Cl1 93.56(10) no C3 Ru1 Cl1 121.59(11) no C6 C1 C2 117.6(3) no C6 C1 C7 122.5(3) no C2 C1 C7 119.8(3) no C6 C1 Ru1 70.42(19) no C2 C1 Ru1 71.2(2) no C7 C1 Ru1 128.6(2) no C3 C2 C1 120.9(3) no C3 C2 Ru1 71.8(2) no C1 C2 Ru1 70.7(2) no C3 C2 H2 119.5 no C1 C2 H2 119.5 no Ru1 C2 H2 130.6 no C2 C3 C4 121.4(3) no C2 C3 Ru1 71.7(2) no C4 C3 Ru1 70.9(2) no C2 C3 H3 119.3 no C4 C3 H3 119.3 no Ru1 C3 H3 130.9 no C5 C4 C3 118.0(3) no C5 C4 C10 120.9(4) no C3 C4 C10 121.2(4) no C5 C4 Ru1 70.8(2) no C3 C4 Ru1 71.2(2) no C10 C4 Ru1 129.2(3) no C4 C5 C6 120.7(3) no C4 C5 Ru1 71.8(2) no C6 C5 Ru1 70.67(19) no C4 C5 H5 119.6 no C6 C5 H5 119.6 no Ru1 C5 H5 130.5 no C1 C6 C5 121.3(3) no C1 C6 Ru1 71.98(19) no C5 C6 Ru1 71.56(19) no C1 C6 H6 119.3 no C5 C6 H6 119.3 no Ru1 C6 H6 129.7 no C1 C7 C9 109.9(3) no C1 C7 C8 112.9(3) no C9 C7 C8 112.9(4) no C1 C7 H7 106.9 no C9 C7 H7 106.9 no C8 C7 H7 106.9 no C7 C8 H8A 109.5 no C7 C8 H8B 109.5 no H8A C8 H8B 109.5 no C7 C8 H8C 109.5 no H8A C8 H8C 109.5 no H8B C8 H8C 109.5 no C7 C9 H9A 109.5 no C7 C9 H9B 109.5 no H9A C9 H9B 109.5 no C7 C9 H9C 109.5 no H9A C9 H9C 109.5 no H9B C9 H9C 109.5 no C4 C10 H10A 109.5 no C4 C10 H10B 109.5 no H10A C10 H10B 109.5 no C4 C10 H10C 109.5 no H10A C10 H10C 109.5 no H10B C10 H10C 109.5 no S1 C11 H11A 109.5 no S1 C11 H11B 109.5 no H11A C11 H11B 109.5 no S1 C11 H11C 109.5 no H11A C11 H11C 109.5 no H11B C11 H11C 109.5 no S1 C12 H12A 109.5 no S1 C12 H12B 109.5 no H12A C12 H12B 109.5 no S1 C12 H12C 109.5 no H12A C12 H12C 109.5 no H12B C12 H12C 109.5 no 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_publ_flag C6 Ru1 S1 O1 -24.25(17) no C5 Ru1 S1 O1 -61.93(18) no C1 Ru1 S1 O1 2.73(18) no C4 Ru1 S1 O1 -91.63(18) no C2 Ru1 S1 O1 -1.1(3) no C3 Ru1 S1 O1 -97.9(3) no Cl2 Ru1 S1 O1 177.41(15) no Cl1 Ru1 S1 O1 89.16(15) no C6 Ru1 S1 C11 -151.7(2) no C5 Ru1 S1 C11 170.7(2) no C1 Ru1 S1 C11 -124.7(2) no C4 Ru1 S1 C11 141.0(2) no C2 Ru1 S1 C11 -128.5(3) no C3 Ru1 S1 C11 134.7(3) no Cl2 Ru1 S1 C11 50.01(18) no Cl1 Ru1 S1 C11 -38.24(18) no C6 Ru1 S1 C12 97.3(2) no C5 Ru1 S1 C12 59.6(2) no C1 Ru1 S1 C12 124.3(2) no C4 Ru1 S1 C12 30.0(2) no C2 Ru1 S1 C12 120.5(3) no C3 Ru1 S1 C12 23.6(3) no Cl2 Ru1 S1 C12 -61.01(19) no Cl1 Ru1 S1 C12 -149.26(19) no C5 Ru1 C1 C6 28.7(2) no C4 Ru1 C1 C6 65.1(2) no C2 Ru1 C1 C6 129.9(3) no C3 Ru1 C1 C6 102.0(2) no S1 Ru1 C1 C6 -47.9(2) no Cl2 Ru1 C1 C6 143.3(2) no Cl1 Ru1 C1 C6 -132.9(2) no C6 Ru1 C1 C2 -129.9(3) no C5 Ru1 C1 C2 -101.2(2) no C4 Ru1 C1 C2 -64.8(2) no C3 Ru1 C1 C2 -27.8(2) no S1 Ru1 C1 C2 -177.80(17) no Cl2 Ru1 C1 C2 13.5(3) no Cl1 Ru1 C1 C2 97.2(2) no C6 Ru1 C1 C7 116.5(4) no C5 Ru1 C1 C7 145.2(4) no C4 Ru1 C1 C7 -178.4(3) no C2 Ru1 C1 C7 -113.6(4) no C3 Ru1 C1 C7 -141.4(4) no S1 Ru1 C1 C7 68.6(3) no Cl2 Ru1 C1 C7 -100.1(3) no Cl1 Ru1 C1 C7 -16.4(3) no C6 C1 C2 C3 -1.2(5) no C7 C1 C2 C3 177.8(3) no Ru1 C1 C2 C3 53.5(3) no C6 C1 C2 Ru1 -54.7(3) no C7 C1 C2 Ru1 124.4(3) no C6 Ru1 C2 C3 -103.0(2) no C5 Ru1 C2 C3 -65.5(2) no C1 Ru1 C2 C3 -133.4(3) no C4 Ru1 C2 C3 -28.5(2) no S1 Ru1 C2 C3 -128.2(3) no Cl2 Ru1 C2 C3 53.5(2) no Cl1 Ru1 C2 C3 142.9(2) no C6 Ru1 C2 C1 30.4(2) no C5 Ru1 C2 C1 67.9(2) no C4 Ru1 C2 C1 104.9(2) no C3 Ru1 C2 C1 133.4(3) no S1 Ru1 C2 C1 5.3(4) no Cl2 Ru1 C2 C1 -173.06(17) no Cl1 Ru1 C2 C1 -83.6(2) no C1 C2 C3 C4 -.3(6) no Ru1 C2 C3 C4 52.7(3) no C1 C2 C3 Ru1 -53.0(3) no C6 Ru1 C3 C2 66.3(2) no C5 Ru1 C3 C2 103.8(2) no C1 Ru1 C3 C2 29.0(2) no C4 Ru1 C3 C2 134.0(3) no S1 Ru1 C3 C2 143.4(2) no Cl2 Ru1 C3 C2 -132.8(2) no Cl1 Ru1 C3 C2 -44.9(2) no C6 Ru1 C3 C4 -67.7(2) no C5 Ru1 C3 C4 -30.2(2) no C1 Ru1 C3 C4 -105.1(2) no C2 Ru1 C3 C4 -134.0(3) no S1 Ru1 C3 C4 9.4(4) no Cl2 Ru1 C3 C4 93.1(2) no Cl1 Ru1 C3 C4 -178.94(18) no C2 C3 C4 C5 1.9(5) no Ru1 C3 C4 C5 55.0(3) no C2 C3 C4 C10 -178.1(4) no Ru1 C3 C4 C10 -125.0(4) no C2 C3 C4 Ru1 -53.1(3) no C6 Ru1 C4 C5 -28.8(2) no C1 Ru1 C4 C5 -65.4(2) no C2 Ru1 C4 C5 -102.5(2) no C3 Ru1 C4 C5 -130.0(3) no S1 Ru1 C4 C5 54.8(2) no Cl2 Ru1 C4 C5 142.2(2) no Cl1 Ru1 C4 C5 -127.4(3) no C6 Ru1 C4 C3 101.3(2) no C5 Ru1 C4 C3 130.0(3) no C1 Ru1 C4 C3 64.6(2) no C2 Ru1 C4 C3 27.5(2) no S1 Ru1 C4 C3 -175.16(19) no Cl2 Ru1 C4 C3 -87.7(2) no Cl1 Ru1 C4 C3 2.6(4) no C6 Ru1 C4 C10 -143.4(4) no C5 Ru1 C4 C10 -114.7(5) no C1 Ru1 C4 C10 179.9(4) no C2 Ru1 C4 C10 142.8(4) no C3 Ru1 C4 C10 115.3(5) no S1 Ru1 C4 C10 -59.9(4) no Cl2 Ru1 C4 C10 27.5(4) no Cl1 Ru1 C4 C10 117.9(4) no C3 C4 C5 C6 -2.0(5) no C10 C4 C5 C6 177.9(4) no Ru1 C4 C5 C6 53.1(3) no C3 C4 C5 Ru1 -55.1(3) no C10 C4 C5 Ru1 124.8(4) no C6 Ru1 C5 C4 133.3(3) no C1 Ru1 C5 C4 104.7(2) no C2 Ru1 C5 C4 66.7(2) no C3 Ru1 C5 C4 30.7(2) no S1 Ru1 C5 C4 -131.8(2) no Cl2 Ru1 C5 C4 -45.3(2) no Cl1 Ru1 C5 C4 145.1(2) no C1 Ru1 C5 C6 -28.6(2) no C4 Ru1 C5 C6 -133.3(3) no C2 Ru1 C5 C6 -66.6(2) no C3 Ru1 C5 C6 -102.5(2) no S1 Ru1 C5 C6 94.9(2) no Cl2 Ru1 C5 C6 -178.59(16) no Cl1 Ru1 C5 C6 11.9(3) no C2 C1 C6 C5 1.1(5) no C7 C1 C6 C5 -178.0(3) no Ru1 C1 C6 C5 -54.0(3) no C2 C1 C6 Ru1 55.1(3) no C7 C1 C6 Ru1 -123.9(3) no C4 C5 C6 C1 .6(5) no Ru1 C5 C6 C1 54.2(3) no C4 C5 C6 Ru1 -53.6(3) no C5 Ru1 C6 C1 -133.2(3) no C4 Ru1 C6 C1 -104.8(2) no C2 Ru1 C6 C1 -30.8(2) no C3 Ru1 C6 C1 -67.0(2) no S1 Ru1 C6 C1 140.4(2) no Cl2 Ru1 C6 C1 -129.9(2) no Cl1 Ru1 C6 C1 53.0(2) no C1 Ru1 C6 C5 133.2(3) no C4 Ru1 C6 C5 28.4(2) no C2 Ru1 C6 C5 102.4(2) no C3 Ru1 C6 C5 66.3(2) no S1 Ru1 C6 C5 -86.3(2) no Cl2 Ru1 C6 C5 3.3(4) no Cl1 Ru1 C6 C5 -173.74(18) no C6 C1 C7 C9 -113.5(4) no C2 C1 C7 C9 67.5(4) no Ru1 C1 C7 C9 156.5(3) no C6 C1 C7 C8 13.5(5) no C2 C1 C7 C8 -165.6(4) no Ru1 C1 C7 C8 -76.6(4) no