Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2004 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _journal_volume ? _journal_year ? _journal_page_first ? _publ_contact_author_name 'Roland A. Fischer' _publ_contact_author_address ; 'Roland Fischer' Lehrstuhl fuer Anorganische Chemie 2 Organometallics and Materials Ruhr-Universitaet Bochum Universitaetsstrasse 150 44780 Bochum (Germany) ; _publ_contact_author_phone '0049 234 3224174' _publ_contact_author_fax '0049 234 3214174' _publ_contact_author_email roland.fischer@ruhr-uni-bochum.de _publ_section_title ; Insertion of group 13 carbenoids into transition metal-halide bonds, Part 1: Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)Ru(II)Cl2]2 and [Cp*Ru(II)Cl]4 ; _publ_section_abstract ; The insertion of GaCp*, InCp* and InC(SiMe3)3 into the Ru-Cl bonds of (p-cymeneRuCl2)2 and (Cp*RuCl)4 is presented. The crystal structures of the insertion products are given. ; loop_ _publ_author_name _publ_author_address 'Mirza Cokoja' ; Lehrstuhl fuer Anorganische Chemie 2 Organometallics and Materials Ruhr-Universitaet Bochum Universitaetsstrasse 150 44780 Bochum (Germany) ; 'Christian Gemel' ; Lehrstuhl fuer Anorganische Chemie 2 Organometallics and Materials Ruhr-Universitaet Bochum Universitaetsstrasse 150 44780 Bochum (Germany) ; 'Tobias Steinke' ; Lehrstuhl fuer Anorganische Chemie 2 Organometallics and Materials Ruhr-Universitaet Bochum Universitaetsstrasse 150 44780 Bochum (Germany) ; 'Felicitas Schroeder' ; Lehrstuhl fuer Anorganische Chemie 2 Organometallics and Materials Ruhr-Universitaet Bochum Universitaetsstrasse 150 44780 Bochum (Germany) ; 'Roland Fischer' ; Lehrstuhl fuer Anorganische Chemie 2 Organometallics and Materials Ruhr-Universitaet Bochum Universitaetsstrasse 150 44780 Bochum (Germany) ; data_1 _database_code_depnum_ccdc_archive 'CCDC 246340' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C60 H88 Cl2 Ga4 Ru2' _chemical_formula_weight 1361.22 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 13.691(2) _cell_length_b 19.901(4) _cell_length_c 23.582(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6425.3(19) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 9795 _cell_measurement_theta_min 2.79 _cell_measurement_theta_max 25.03 _exptl_crystal_description cubes _exptl_crystal_colour red _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.407 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2776 _exptl_absorpt_coefficient_mu 2.228 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.316 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD 1000' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 35966 _diffrn_reflns_av_R_equivalents 0.0577 _diffrn_reflns_av_sigmaI/netI 0.0594 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.79 _diffrn_reflns_theta_max 25.03 _reflns_number_total 11261 _reflns_number_gt 9795 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0331P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.025(8) _refine_ls_number_reflns 11261 _refine_ls_number_parameters 613 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0424 _refine_ls_R_factor_gt 0.0326 _refine_ls_wR_factor_ref 0.0769 _refine_ls_wR_factor_gt 0.0726 _refine_ls_goodness_of_fit_ref 1.002 _refine_ls_restrained_S_all 1.002 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.20291(3) 0.291002(18) 0.179843(14) 0.01980(9) Uani 1 1 d . . . Ru2 Ru 0.15301(3) 0.297003(18) 0.310039(14) 0.01895(9) Uani 1 1 d . . . Ga1 Ga 0.23264(4) 0.17170(2) 0.17867(2) 0.02216(12) Uani 1 1 d . . . Ga2 Ga 0.19019(4) 0.18095(2) 0.32686(2) 0.02296(12) Uani 1 1 d . . . Ga3 Ga 0.05721(4) 0.24723(2) 0.23082(2) 0.02082(12) Uani 1 1 d . . . Ga4 Ga 0.31413(4) 0.28477(3) 0.26286(2) 0.02457(13) Uani 1 1 d . . . Cl1 Cl 0.33886(9) 0.14865(6) 0.27148(5) 0.0305(3) Uani 1 1 d . . . Cl2 Cl 0.10457(9) 0.11524(5) 0.23724(5) 0.0260(3) Uani 1 1 d . . . C1 C 0.1991(4) 0.2934(2) 0.08389(18) 0.0280(11) Uani 1 1 d . . . C2 C 0.2953(4) 0.3056(3) 0.10410(18) 0.0283(11) Uani 1 1 d . . . H2A H 0.3474 0.2726 0.0957 0.034 Uiso 1 1 calc R . . C3 C 0.3160(4) 0.3598(2) 0.1407(2) 0.0328(12) Uani 1 1 d . . . H3A H 0.3815 0.3632 0.1583 0.039 Uiso 1 1 calc R . . C4 C 0.2404(4) 0.4018(2) 0.1599(2) 0.0323(13) Uani 1 1 d . . . C5 C 0.1438(4) 0.3881(2) 0.1420(2) 0.0290(12) Uani 1 1 d . . . H5A H 0.0889 0.4112 0.1612 0.035 Uiso 1 1 calc R . . C6 C 0.1232(4) 0.3353(2) 0.10404(19) 0.0258(11) Uani 1 1 d . . . H6A H 0.0544 0.3225 0.0970 0.031 Uiso 1 1 calc R . . C7 C 0.1851(4) 0.2427(2) 0.03647(18) 0.0286(12) Uani 1 1 d . . . H7A H 0.2294 0.2044 0.0438 0.034 Uiso 1 1 calc R . . C8 C 0.2621(5) 0.4634(3) 0.1947(2) 0.0460(15) Uani 1 1 d . . . H8A H 0.2746 0.5011 0.1697 0.069 Uiso 1 1 calc R . . H8B H 0.3192 0.4553 0.2181 0.069 Uiso 1 1 calc R . . H8C H 0.2066 0.4736 0.2188 0.069 Uiso 1 1 calc R . . C9 C 0.2175(5) 0.2764(3) -0.0196(2) 0.0552(18) Uani 1 1 d . . . H9A H 0.2090 0.2451 -0.0507 0.083 Uiso 1 1 calc R . . H9B H 0.2857 0.2892 -0.0169 0.083 Uiso 1 1 calc R . . H9C H 0.1781 0.3161 -0.0263 0.083 Uiso 1 1 calc R . . C10 C 0.0815(4) 0.2151(3) 0.0315(2) 0.0465(15) Uani 1 1 d . . . H10A H 0.0627 0.1943 0.0670 0.070 Uiso 1 1 calc R . . H10B H 0.0791 0.1819 0.0014 0.070 Uiso 1 1 calc R . . H10C H 0.0368 0.2515 0.0228 0.070 Uiso 1 1 calc R . . C11 C 0.1470(4) 0.3186(2) 0.40473(19) 0.0264(11) Uani 1 1 d . . . C12 C 0.0524(3) 0.3026(2) 0.38297(19) 0.0252(11) Uani 1 1 d . . . H12A H 0.0191 0.2613 0.3961 0.030 Uiso 1 1 calc R . . C13 C 0.0097(4) 0.3410(2) 0.3401(2) 0.0289(12) Uani 1 1 d . . . H13A H -0.0519 0.3253 0.3226 0.035 Uiso 1 1 calc R . . C14 C 0.0604(4) 0.3945(2) 0.3149(2) 0.0309(12) Uani 1 1 d . . . C15 C 0.1578(4) 0.4078(2) 0.3337(2) 0.0296(12) Uani 1 1 d . . . H15A H 0.1995 0.4387 0.3115 0.036 Uiso 1 1 calc R . . C16 C 0.1990(4) 0.3711(2) 0.3781(2) 0.0284(11) Uani 1 1 d . . . H16A H 0.2693 0.3767 0.3865 0.034 Uiso 1 1 calc R . . C17 C 0.1827(4) 0.2838(3) 0.45897(19) 0.0344(12) Uani 1 1 d . . . H17A H 0.1665 0.2354 0.4563 0.041 Uiso 1 1 calc R . . C18 C 0.0112(4) 0.4399(3) 0.2719(2) 0.0397(14) Uani 1 1 d . . . H18A H -0.0210 0.4766 0.2915 0.060 Uiso 1 1 calc R . . H18B H -0.0368 0.4143 0.2507 0.060 Uiso 1 1 calc R . . H18C H 0.0598 0.4578 0.2461 0.060 Uiso 1 1 calc R . . C19 C 0.2898(4) 0.2903(4) 0.4699(2) 0.0538(16) Uani 1 1 d . . . H19A H 0.3259 0.2712 0.4384 0.081 Uiso 1 1 calc R . . H19B H 0.3064 0.2665 0.5045 0.081 Uiso 1 1 calc R . . H19C H 0.3066 0.3374 0.4740 0.081 Uiso 1 1 calc R . . C20 C 0.1229(5) 0.3146(4) 0.5086(2) 0.063(2) Uani 1 1 d . . . H20A H 0.1431 0.2942 0.5440 0.094 Uiso 1 1 calc R . . H20B H 0.0539 0.3062 0.5024 0.094 Uiso 1 1 calc R . . H20C H 0.1343 0.3627 0.5102 0.094 Uiso 1 1 calc R . . C21 C 0.2798(4) 0.0889(2) 0.13399(19) 0.0275(12) Uani 1 1 d . . . C22 C 0.2051(4) 0.0682(2) 0.0903(2) 0.0304(12) Uani 1 1 d . . . C23 C 0.2441(4) 0.0767(2) 0.0380(2) 0.0309(12) Uani 1 1 d . . . C24 C 0.3439(4) 0.1026(3) 0.0434(2) 0.0324(12) Uani 1 1 d . . . C25 C 0.3656(4) 0.1103(3) 0.0995(2) 0.0333(13) Uani 1 1 d . . . C26 C 0.3038(4) 0.0304(2) 0.1742(2) 0.0375(13) Uani 1 1 d . . . H26A H 0.3257 -0.0080 0.1523 0.056 Uiso 1 1 calc R . . H26B H 0.2458 0.0182 0.1955 0.056 Uiso 1 1 calc R . . H26C H 0.3550 0.0440 0.2002 0.056 Uiso 1 1 calc R . . C27 C 0.1071(4) 0.0387(3) 0.1040(3) 0.0460(15) Uani 1 1 d . . . H27A H 0.0719 0.0297 0.0692 0.069 Uiso 1 1 calc R . . H27B H 0.0702 0.0703 0.1269 0.069 Uiso 1 1 calc R . . H27C H 0.1158 -0.0028 0.1249 0.069 Uiso 1 1 calc R . . C28 C 0.1979(5) 0.0623(3) -0.0183(2) 0.0471(16) Uani 1 1 d . . . H28A H 0.1321 0.0457 -0.0126 0.071 Uiso 1 1 calc R . . H28B H 0.2361 0.0288 -0.0383 0.071 Uiso 1 1 calc R . . H28C H 0.1957 0.1033 -0.0406 0.071 Uiso 1 1 calc R . . C29 C 0.4095(5) 0.1154(4) -0.0067(2) 0.0557(18) Uani 1 1 d . . . H29A H 0.4720 0.1321 0.0065 0.084 Uiso 1 1 calc R . . H29B H 0.3795 0.1485 -0.0314 0.084 Uiso 1 1 calc R . . H29C H 0.4192 0.0738 -0.0274 0.084 Uiso 1 1 calc R . . C30 C 0.4584(4) 0.1352(3) 0.1243(2) 0.0478(16) Uani 1 1 d . . . H30A H 0.5037 0.1463 0.0941 0.072 Uiso 1 1 calc R . . H30B H 0.4866 0.1007 0.1482 0.072 Uiso 1 1 calc R . . H30C H 0.4455 0.1750 0.1468 0.072 Uiso 1 1 calc R . . C31 C 0.1891(4) 0.1000(2) 0.3813(2) 0.0300(12) Uani 1 1 d . . . C32 C 0.2689(4) 0.1074(2) 0.4235(2) 0.0333(13) Uani 1 1 d . . . C33 C 0.2282(5) 0.1139(3) 0.4758(2) 0.0416(15) Uani 1 1 d . . . C34 C 0.1219(5) 0.1121(3) 0.4707(2) 0.0456(16) Uani 1 1 d . . . C35 C 0.0975(4) 0.1047(3) 0.4154(2) 0.0379(14) Uani 1 1 d . . . C36 C 0.1974(5) 0.0332(2) 0.3471(2) 0.0434(15) Uani 1 1 d . . . H36A H 0.1971 -0.0045 0.3731 0.065 Uiso 1 1 calc R . . H36B H 0.2577 0.0332 0.3256 0.065 Uiso 1 1 calc R . . H36C H 0.1424 0.0294 0.3213 0.065 Uiso 1 1 calc R . . C37 C 0.3778(5) 0.1002(3) 0.4107(3) 0.0517(17) Uani 1 1 d . . . H37A H 0.4151 0.1069 0.4453 0.078 Uiso 1 1 calc R . . H37B H 0.3970 0.1336 0.3829 0.078 Uiso 1 1 calc R . . H37C H 0.3906 0.0556 0.3958 0.078 Uiso 1 1 calc R . . C38 C 0.2798(6) 0.1192(3) 0.5324(2) 0.062(2) Uani 1 1 d . . . H38A H 0.3499 0.1193 0.5263 0.093 Uiso 1 1 calc R . . H38B H 0.2620 0.0812 0.5560 0.093 Uiso 1 1 calc R . . H38C H 0.2607 0.1606 0.5511 0.093 Uiso 1 1 calc R . . C39 C 0.0534(6) 0.1179(4) 0.5199(3) 0.073(2) Uani 1 1 d . . . H39A H -0.0134 0.1156 0.5064 0.110 Uiso 1 1 calc R . . H39B H 0.0639 0.1605 0.5389 0.110 Uiso 1 1 calc R . . H39C H 0.0654 0.0814 0.5462 0.110 Uiso 1 1 calc R . . C40 C -0.0003(5) 0.0988(4) 0.3904(3) 0.064(2) Uani 1 1 d . . . H40A H -0.0492 0.1035 0.4199 0.096 Uiso 1 1 calc R . . H40B H -0.0070 0.0552 0.3724 0.096 Uiso 1 1 calc R . . H40C H -0.0093 0.1339 0.3623 0.096 Uiso 1 1 calc R . . C41 C -0.0905(3) 0.2295(2) 0.2108(2) 0.0258(11) Uani 1 1 d . . . C42 C -0.1322(3) 0.2981(3) 0.2134(2) 0.0299(11) Uani 1 1 d . . . C43 C -0.1851(4) 0.3038(3) 0.2627(2) 0.0297(11) Uani 1 1 d . . . C44 C -0.1840(4) 0.2407(3) 0.29198(19) 0.0292(12) Uani 1 1 d . . . C45 C -0.1331(4) 0.1955(2) 0.2607(2) 0.0292(11) Uani 1 1 d . . . C46 C -0.0976(4) 0.1935(3) 0.1537(2) 0.0403(14) Uani 1 1 d . . . H46A H -0.1656 0.1854 0.1446 0.060 Uiso 1 1 calc R . . H46B H -0.0631 0.1510 0.1558 0.060 Uiso 1 1 calc R . . H46C H -0.0684 0.2213 0.1244 0.060 Uiso 1 1 calc R . . C47 C -0.1222(4) 0.3479(3) 0.1668(2) 0.0427(14) Uani 1 1 d . . . H47A H -0.1549 0.3893 0.1774 0.064 Uiso 1 1 calc R . . H47B H -0.1517 0.3301 0.1325 0.064 Uiso 1 1 calc R . . H47C H -0.0536 0.3569 0.1600 0.064 Uiso 1 1 calc R . . C48 C -0.2393(4) 0.3655(3) 0.2833(3) 0.0497(17) Uani 1 1 d . . . H48A H -0.2292 0.4021 0.2567 0.075 Uiso 1 1 calc R . . H48B H -0.2147 0.3784 0.3203 0.075 Uiso 1 1 calc R . . H48C H -0.3085 0.3556 0.2860 0.075 Uiso 1 1 calc R . . C49 C -0.2335(4) 0.2287(3) 0.3475(2) 0.0477(16) Uani 1 1 d . . . H49A H -0.2235 0.1824 0.3590 0.072 Uiso 1 1 calc R . . H49B H -0.3028 0.2374 0.3436 0.072 Uiso 1 1 calc R . . H49C H -0.2061 0.2586 0.3759 0.072 Uiso 1 1 calc R . . C50 C -0.1380(4) 0.1196(2) 0.2664(3) 0.0421(14) Uani 1 1 d . . . H50A H -0.1690 0.1080 0.3021 0.063 Uiso 1 1 calc R . . H50B H -0.0724 0.1012 0.2655 0.063 Uiso 1 1 calc R . . H50C H -0.1757 0.1011 0.2353 0.063 Uiso 1 1 calc R . . C51 C 0.4595(4) 0.3078(3) 0.2845(2) 0.0382(14) Uani 1 1 d . . . C52 C 0.5222(4) 0.2785(4) 0.2393(2) 0.0542(19) Uani 1 1 d . . . C53 C 0.5461(5) 0.3295(5) 0.2026(3) 0.071(3) Uani 1 1 d . . . C54 C 0.5115(5) 0.3922(4) 0.2244(3) 0.064(2) Uani 1 1 d . . . C55 C 0.4635(4) 0.3816(3) 0.2737(3) 0.0475(16) Uani 1 1 d . . . C56 C 0.4780(4) 0.2845(3) 0.3450(2) 0.0436(14) Uani 1 1 d . . . H56A H 0.5448 0.2949 0.3556 0.065 Uiso 1 1 calc R . . H56B H 0.4675 0.2364 0.3475 0.065 Uiso 1 1 calc R . . H56C H 0.4334 0.3074 0.3705 0.065 Uiso 1 1 calc R . . C57 C 0.5645(5) 0.2084(4) 0.2412(3) 0.081(3) Uani 1 1 d . . . H57A H 0.6032 0.2005 0.2074 0.121 Uiso 1 1 calc R . . H57B H 0.5119 0.1758 0.2430 0.121 Uiso 1 1 calc R . . H57C H 0.6056 0.2038 0.2745 0.121 Uiso 1 1 calc R . . C58 C 0.6052(6) 0.3230(6) 0.1472(3) 0.117(4) Uani 1 1 d . . . H58A H 0.6208 0.2761 0.1405 0.176 Uiso 1 1 calc R . . H58B H 0.6651 0.3487 0.1504 0.176 Uiso 1 1 calc R . . H58C H 0.5668 0.3401 0.1158 0.176 Uiso 1 1 calc R . . C59 C 0.5302(6) 0.4600(5) 0.1975(4) 0.110(4) Uani 1 1 d . . . H59A H 0.4994 0.4948 0.2201 0.166 Uiso 1 1 calc R . . H59B H 0.5033 0.4606 0.1595 0.166 Uiso 1 1 calc R . . H59C H 0.6000 0.4682 0.1957 0.166 Uiso 1 1 calc R . . C60 C 0.4278(5) 0.4327(3) 0.3157(3) 0.0561(17) Uani 1 1 d . . . H60A H 0.4373 0.4775 0.3003 0.084 Uiso 1 1 calc R . . H60B H 0.4643 0.4283 0.3507 0.084 Uiso 1 1 calc R . . H60C H 0.3589 0.4254 0.3230 0.084 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0276(2) 0.01379(17) 0.01807(17) 0.00060(15) -0.00017(16) -0.00214(16) Ru2 0.0244(2) 0.01337(17) 0.01907(17) -0.00201(16) 0.00028(15) -0.00085(15) Ga1 0.0309(3) 0.0158(2) 0.0198(2) -0.0002(2) 0.0023(2) 0.0017(2) Ga2 0.0312(3) 0.0160(2) 0.0217(2) 0.0016(2) 0.0022(2) 0.0037(2) Ga3 0.0246(3) 0.0173(2) 0.0206(2) -0.0016(2) -0.0006(2) -0.0009(2) Ga4 0.0236(3) 0.0286(3) 0.0215(2) -0.0018(2) 0.0001(2) -0.0049(2) Cl1 0.0305(7) 0.0321(7) 0.0289(6) -0.0009(5) 0.0004(6) 0.0095(5) Cl2 0.0324(7) 0.0179(5) 0.0279(6) 0.0008(5) 0.0047(6) -0.0013(5) C1 0.045(3) 0.020(2) 0.019(2) 0.007(2) 0.004(2) -0.001(3) C2 0.032(3) 0.034(3) 0.020(2) 0.007(2) 0.003(2) -0.003(2) C3 0.042(3) 0.026(3) 0.030(3) 0.010(2) -0.001(3) -0.009(2) C4 0.048(3) 0.016(2) 0.032(3) 0.010(2) 0.003(3) -0.011(2) C5 0.046(3) 0.018(2) 0.024(2) 0.005(2) 0.004(2) -0.001(2) C6 0.034(3) 0.021(3) 0.022(2) 0.004(2) 0.004(2) 0.001(2) C7 0.047(3) 0.019(2) 0.020(2) -0.004(2) -0.001(2) 0.003(2) C8 0.076(4) 0.024(3) 0.038(3) -0.004(3) 0.002(3) -0.015(3) C9 0.082(5) 0.057(4) 0.026(3) 0.005(3) 0.011(3) -0.007(4) C10 0.055(4) 0.043(3) 0.042(3) -0.017(3) -0.006(3) -0.001(3) C11 0.037(3) 0.021(2) 0.021(2) -0.005(2) 0.004(2) -0.004(2) C12 0.027(3) 0.021(3) 0.027(2) -0.009(2) 0.009(2) 0.001(2) C13 0.031(3) 0.030(3) 0.026(3) -0.010(2) -0.001(2) 0.007(2) C14 0.044(3) 0.021(2) 0.028(3) -0.012(2) 0.002(3) 0.006(2) C15 0.047(3) 0.018(2) 0.024(2) -0.006(2) 0.008(2) -0.008(2) C16 0.031(3) 0.025(3) 0.029(3) -0.007(2) -0.001(2) 0.002(2) C17 0.044(3) 0.035(3) 0.024(2) 0.002(2) 0.000(2) 0.002(3) C18 0.053(4) 0.022(3) 0.044(3) 0.002(2) -0.005(3) 0.016(3) C19 0.052(4) 0.064(4) 0.045(3) 0.013(3) -0.010(3) 0.000(4) C20 0.077(5) 0.087(6) 0.024(3) -0.004(3) 0.005(3) 0.016(4) C21 0.041(3) 0.022(2) 0.019(2) 0.001(2) 0.003(2) -0.003(2) C22 0.046(3) 0.017(2) 0.028(3) -0.005(2) 0.002(2) 0.003(2) C23 0.049(4) 0.020(2) 0.024(2) -0.006(2) 0.000(3) 0.005(2) C24 0.038(3) 0.032(3) 0.028(3) -0.002(2) 0.011(2) 0.006(2) C25 0.040(3) 0.028(3) 0.032(3) -0.005(2) 0.006(2) 0.008(2) C26 0.060(4) 0.024(3) 0.029(3) 0.000(2) 0.003(3) 0.012(3) C27 0.054(4) 0.042(3) 0.042(3) -0.012(3) 0.016(3) -0.019(3) C28 0.071(4) 0.038(3) 0.032(3) -0.006(3) -0.001(3) -0.001(3) C29 0.068(5) 0.066(5) 0.033(3) 0.001(3) 0.013(3) -0.005(4) C30 0.035(3) 0.068(4) 0.041(3) -0.007(3) 0.007(3) -0.001(3) C31 0.051(3) 0.017(2) 0.022(2) 0.004(2) -0.004(2) 0.005(2) C32 0.056(4) 0.017(2) 0.028(3) 0.006(2) -0.006(3) 0.008(2) C33 0.076(5) 0.025(3) 0.024(3) 0.003(2) -0.009(3) 0.006(3) C34 0.070(5) 0.032(3) 0.034(3) 0.008(3) 0.010(3) 0.003(3) C35 0.049(4) 0.031(3) 0.034(3) 0.011(3) 0.005(3) -0.004(3) C36 0.082(5) 0.018(3) 0.029(3) 0.006(2) -0.012(3) -0.002(3) C37 0.056(4) 0.051(4) 0.047(4) 0.006(3) -0.014(3) 0.013(3) C38 0.105(6) 0.054(4) 0.028(3) -0.005(3) -0.017(4) 0.003(4) C39 0.097(6) 0.080(5) 0.043(4) 0.000(4) 0.030(4) -0.002(5) C40 0.058(5) 0.074(5) 0.060(4) 0.018(4) 0.008(4) -0.020(4) C41 0.023(3) 0.022(3) 0.032(3) -0.003(2) -0.002(2) 0.003(2) C42 0.027(3) 0.028(3) 0.034(3) 0.000(2) -0.005(2) 0.005(2) C43 0.026(3) 0.032(3) 0.031(3) -0.011(2) -0.007(2) 0.004(2) C44 0.023(3) 0.038(3) 0.026(2) -0.003(2) -0.005(2) 0.002(2) C45 0.022(3) 0.029(3) 0.037(3) 0.001(2) -0.004(2) -0.004(2) C46 0.036(3) 0.045(4) 0.039(3) -0.016(3) -0.005(3) 0.003(3) C47 0.040(3) 0.037(3) 0.051(4) 0.012(3) -0.009(3) 0.008(3) C48 0.042(4) 0.053(4) 0.055(4) -0.025(3) -0.006(3) 0.015(3) C49 0.042(4) 0.064(4) 0.037(3) -0.004(3) 0.007(3) 0.005(3) C50 0.037(3) 0.025(3) 0.064(4) 0.005(3) -0.006(3) -0.008(2) C51 0.031(3) 0.052(4) 0.032(3) -0.005(3) -0.003(2) -0.010(3) C52 0.026(3) 0.098(6) 0.038(3) -0.030(4) 0.001(3) -0.014(4) C53 0.036(4) 0.137(8) 0.039(4) -0.019(4) 0.011(3) -0.045(5) C54 0.045(4) 0.103(6) 0.044(4) 0.013(4) -0.011(3) -0.044(4) C55 0.039(4) 0.058(4) 0.045(3) 0.004(3) -0.006(3) -0.025(3) C56 0.035(3) 0.059(4) 0.037(3) -0.008(3) -0.007(2) -0.006(3) C57 0.037(4) 0.120(7) 0.086(5) -0.070(5) -0.001(4) 0.003(5) C58 0.060(5) 0.240(14) 0.052(4) -0.026(7) 0.018(4) -0.058(7) C59 0.085(6) 0.164(10) 0.082(6) 0.049(6) -0.021(5) -0.092(7) C60 0.051(4) 0.050(4) 0.067(4) -0.007(4) -0.007(4) -0.021(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C2 2.208(5) . ? Ru1 C3 2.263(5) . ? Ru1 C1 2.264(4) . ? Ru1 C6 2.272(5) . ? Ru1 C5 2.277(5) . ? Ru1 C4 2.312(5) . ? Ru1 Ga1 2.4091(7) . ? Ru1 Ga4 2.4833(7) . ? Ru1 Ga3 2.4865(7) . ? Ru1 Ru2 3.1476(7) . ? Ru2 C12 2.206(4) . ? Ru2 C13 2.263(5) . ? Ru2 C16 2.268(5) . ? Ru2 C15 2.275(5) . ? Ru2 C11 2.276(4) . ? Ru2 C14 2.321(5) . ? Ru2 Ga2 2.3981(7) . ? Ru2 Ga4 2.4825(7) . ? Ru2 Ga3 2.4882(7) . ? Ga1 C21 2.060(5) . ? Ga1 Cl2 2.4988(13) . ? Ga1 Cl1 2.6674(13) . ? Ga2 C31 2.060(5) . ? Ga2 Cl1 2.5023(13) . ? Ga2 Cl2 2.7479(13) . ? Ga3 C41 2.106(5) . ? Ga3 Cl2 2.7099(13) . ? Ga4 C51 2.105(5) . ? Ga4 Cl1 2.7376(14) . ? C1 C6 1.415(7) . ? C1 C2 1.422(7) . ? C1 C7 1.518(6) . ? C2 C3 1.409(7) . ? C3 C4 1.406(8) . ? C4 C5 1.415(8) . ? C4 C8 1.505(7) . ? C5 C6 1.409(7) . ? C7 C10 1.525(7) . ? C7 C9 1.547(7) . ? C11 C16 1.411(7) . ? C11 C12 1.429(7) . ? C11 C17 1.535(7) . ? C12 C13 1.395(7) . ? C13 C14 1.404(7) . ? C14 C15 1.430(7) . ? C14 C18 1.514(7) . ? C15 C16 1.395(7) . ? C17 C19 1.495(8) . ? C17 C20 1.554(7) . ? C21 C25 1.491(7) . ? C21 C22 1.510(7) . ? C21 C26 1.538(7) . ? C22 C23 1.353(7) . ? C22 C27 1.500(8) . ? C23 C24 1.466(8) . ? C23 C28 1.499(7) . ? C24 C25 1.364(7) . ? C24 C29 1.505(7) . ? C25 C30 1.484(8) . ? C31 C32 1.487(7) . ? C31 C35 1.493(8) . ? C31 C36 1.557(7) . ? C32 C33 1.359(8) . ? C32 C37 1.528(9) . ? C33 C34 1.460(9) . ? C33 C38 1.514(8) . ? C34 C35 1.353(8) . ? C34 C39 1.496(8) . ? C35 C40 1.468(9) . ? C41 C45 1.477(7) . ? C41 C42 1.480(7) . ? C41 C46 1.529(7) . ? C42 C43 1.375(7) . ? C42 C47 1.486(7) . ? C43 C44 1.433(7) . ? C43 C48 1.515(7) . ? C44 C45 1.356(7) . ? C44 C49 1.493(7) . ? C45 C50 1.518(7) . ? C51 C52 1.488(8) . ? C51 C55 1.493(9) . ? C51 C56 1.521(7) . ? C52 C53 1.374(10) . ? C52 C57 1.511(11) . ? C53 C54 1.429(12) . ? C53 C58 1.542(9) . ? C54 C55 1.352(9) . ? C54 C59 1.514(11) . ? C55 C60 1.500(9) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 Ru1 C3 36.72(18) . . ? C2 Ru1 C1 37.07(18) . . ? C3 Ru1 C1 66.16(18) . . ? C2 Ru1 C6 65.64(18) . . ? C3 Ru1 C6 76.87(19) . . ? C1 Ru1 C6 36.35(17) . . ? C2 Ru1 C5 76.98(19) . . ? C3 Ru1 C5 64.53(19) . . ? C1 Ru1 C5 65.34(17) . . ? C6 Ru1 C5 36.09(17) . . ? C2 Ru1 C4 65.33(18) . . ? C3 Ru1 C4 35.76(19) . . ? C1 Ru1 C4 77.44(17) . . ? C6 Ru1 C4 64.96(18) . . ? C5 Ru1 C4 35.90(19) . . ? C2 Ru1 Ga1 91.38(13) . . ? C3 Ru1 Ga1 118.41(14) . . ? C1 Ru1 Ga1 90.74(12) . . ? C6 Ru1 Ga1 117.05(12) . . ? C5 Ru1 Ga1 153.14(13) . . ? C4 Ru1 Ga1 154.16(14) . . ? C2 Ru1 Ga4 107.03(13) . . ? C3 Ru1 Ga4 86.11(13) . . ? C1 Ru1 Ga4 143.44(13) . . ? C6 Ru1 Ga4 159.05(13) . . ? C5 Ru1 Ga4 124.67(13) . . ? C4 Ru1 Ga4 94.10(13) . . ? Ga1 Ru1 Ga4 81.73(2) . . ? C2 Ru1 Ga3 153.76(13) . . ? C3 Ru1 Ga3 163.29(14) . . ? C1 Ru1 Ga3 118.15(13) . . ? C6 Ru1 Ga3 97.54(13) . . ? C5 Ru1 Ga3 101.64(14) . . ? C4 Ru1 Ga3 127.62(14) . . ? Ga1 Ru1 Ga3 78.22(2) . . ? Ga4 Ru1 Ga3 95.35(2) . . ? C2 Ru1 Ru2 155.28(13) . . ? C3 Ru1 Ru2 121.55(13) . . ? C1 Ru1 Ru2 165.73(13) . . ? C6 Ru1 Ru2 130.42(12) . . ? C5 Ru1 Ru2 105.82(12) . . ? C4 Ru1 Ru2 102.12(13) . . ? Ga1 Ru1 Ru2 94.889(17) . . ? Ga4 Ru1 Ru2 50.653(18) . . ? Ga3 Ru1 Ru2 50.774(15) . . ? C12 Ru2 C13 36.35(17) . . ? C12 Ru2 C16 65.72(18) . . ? C13 Ru2 C16 76.53(19) . . ? C12 Ru2 C15 77.14(17) . . ? C13 Ru2 C15 64.70(19) . . ? C16 Ru2 C15 35.77(17) . . ? C12 Ru2 C11 37.15(18) . . ? C13 Ru2 C11 65.65(18) . . ? C16 Ru2 C11 36.18(17) . . ? C15 Ru2 C11 64.97(17) . . ? C12 Ru2 C14 65.05(18) . . ? C13 Ru2 C14 35.63(18) . . ? C16 Ru2 C14 64.75(18) . . ? C15 Ru2 C14 36.23(18) . . ? C11 Ru2 C14 76.94(18) . . ? C12 Ru2 Ga2 93.01(13) . . ? C13 Ru2 Ga2 120.34(13) . . ? C16 Ru2 Ga2 116.76(13) . . ? C15 Ru2 Ga2 152.46(13) . . ? C11 Ru2 Ga2 91.58(12) . . ? C14 Ru2 Ga2 155.95(13) . . ? C12 Ru2 Ga4 155.38(13) . . ? C13 Ru2 Ga4 161.60(13) . . ? C16 Ru2 Ga4 97.72(14) . . ? C15 Ru2 Ga4 100.34(13) . . ? C11 Ru2 Ga4 119.37(13) . . ? C14 Ru2 Ga4 126.11(13) . . ? Ga2 Ru2 Ga4 77.94(2) . . ? C12 Ru2 Ga3 106.04(12) . . ? C13 Ru2 Ga3 86.13(12) . . ? C16 Ru2 Ga3 159.41(13) . . ? C15 Ru2 Ga3 125.80(13) . . ? C11 Ru2 Ga3 142.47(13) . . ? C14 Ru2 Ga3 94.68(13) . . ? Ga2 Ru2 Ga3 81.53(2) . . ? Ga4 Ru2 Ga3 95.33(2) . . ? C12 Ru2 Ru1 153.87(13) . . ? C13 Ru2 Ru1 120.58(12) . . ? C16 Ru2 Ru1 130.88(13) . . ? C15 Ru2 Ru1 105.65(12) . . ? C11 Ru2 Ru1 166.45(13) . . ? C14 Ru2 Ru1 101.42(12) . . ? Ga2 Ru2 Ru1 94.517(18) . . ? Ga4 Ru2 Ru1 50.677(15) . . ? Ga3 Ru2 Ru1 50.725(17) . . ? C21 Ga1 Ru1 147.92(13) . . ? C21 Ga1 Cl2 98.22(14) . . ? Ru1 Ga1 Cl2 108.56(3) . . ? C21 Ga1 Cl1 96.38(14) . . ? Ru1 Ga1 Cl1 104.61(3) . . ? Cl2 Ga1 Cl1 81.48(4) . . ? C31 Ga2 Ru2 148.76(14) . . ? C31 Ga2 Cl1 97.48(16) . . ? Ru2 Ga2 Cl1 109.49(4) . . ? C31 Ga2 Cl2 95.93(14) . . ? Ru2 Ga2 Cl2 103.92(3) . . ? Cl1 Ga2 Cl2 79.83(4) . . ? C41 Ga3 Ru1 136.10(13) . . ? C41 Ga3 Ru2 137.80(13) . . ? Ru1 Ga3 Ru2 78.50(2) . . ? C41 Ga3 Cl2 94.60(13) . . ? Ru1 Ga3 Cl2 100.06(3) . . ? Ru2 Ga3 Cl2 102.58(3) . . ? C51 Ga4 Ru2 135.26(14) . . ? C51 Ga4 Ru1 139.46(14) . . ? Ru2 Ga4 Ru1 78.67(2) . . ? C51 Ga4 Cl1 94.60(17) . . ? Ru2 Ga4 Cl1 100.00(3) . . ? Ru1 Ga4 Cl1 100.59(3) . . ? Ga2 Cl1 Ga1 86.59(4) . . ? Ga2 Cl1 Ga4 71.58(3) . . ? Ga1 Cl1 Ga4 72.63(3) . . ? Ga1 Cl2 Ga3 72.61(3) . . ? Ga1 Cl2 Ga2 84.94(4) . . ? Ga3 Cl2 Ga2 71.56(3) . . ? C6 C1 C2 117.8(4) . . ? C6 C1 C7 123.1(5) . . ? C2 C1 C7 118.6(4) . . ? C6 C1 Ru1 72.2(3) . . ? C2 C1 Ru1 69.3(2) . . ? C7 C1 Ru1 136.5(3) . . ? C3 C2 C1 121.5(5) . . ? C3 C2 Ru1 73.8(3) . . ? C1 C2 Ru1 73.6(3) . . ? C4 C3 C2 120.3(5) . . ? C4 C3 Ru1 74.0(3) . . ? C2 C3 Ru1 69.5(3) . . ? C3 C4 C5 118.5(5) . . ? C3 C4 C8 121.0(5) . . ? C5 C4 C8 120.3(5) . . ? C3 C4 Ru1 70.2(3) . . ? C5 C4 Ru1 70.7(3) . . ? C8 C4 Ru1 135.3(4) . . ? C6 C5 C4 121.4(5) . . ? C6 C5 Ru1 71.8(3) . . ? C4 C5 Ru1 73.4(3) . . ? C5 C6 C1 120.4(5) . . ? C5 C6 Ru1 72.1(3) . . ? C1 C6 Ru1 71.5(3) . . ? C1 C7 C10 114.5(4) . . ? C1 C7 C9 107.8(4) . . ? C10 C7 C9 110.9(5) . . ? C16 C11 C12 117.5(4) . . ? C16 C11 C17 123.0(5) . . ? C12 C11 C17 119.2(4) . . ? C16 C11 Ru2 71.6(3) . . ? C12 C11 Ru2 68.8(2) . . ? C17 C11 Ru2 136.1(3) . . ? C13 C12 C11 121.2(5) . . ? C13 C12 Ru2 74.0(3) . . ? C11 C12 Ru2 74.1(3) . . ? C12 C13 C14 121.0(5) . . ? C12 C13 Ru2 69.6(3) . . ? C14 C13 Ru2 74.5(3) . . ? C13 C14 C15 117.9(5) . . ? C13 C14 C18 121.1(5) . . ? C15 C14 C18 120.8(5) . . ? C13 C14 Ru2 69.9(3) . . ? C15 C14 Ru2 70.1(3) . . ? C18 C14 Ru2 135.1(3) . . ? C16 C15 C14 120.9(5) . . ? C16 C15 Ru2 71.9(3) . . ? C14 C15 Ru2 73.7(3) . . ? C15 C16 C11 121.2(5) . . ? C15 C16 Ru2 72.4(3) . . ? C11 C16 Ru2 72.2(3) . . ? C19 C17 C11 114.7(5) . . ? C19 C17 C20 110.7(5) . . ? C11 C17 C20 106.3(4) . . ? C25 C21 C22 103.8(4) . . ? C25 C21 C26 112.6(4) . . ? C22 C21 C26 111.1(4) . . ? C25 C21 Ga1 107.3(3) . . ? C22 C21 Ga1 110.8(3) . . ? C26 C21 Ga1 110.9(3) . . ? C23 C22 C27 126.8(5) . . ? C23 C22 C21 108.7(5) . . ? C27 C22 C21 124.4(5) . . ? C22 C23 C24 109.4(4) . . ? C22 C23 C28 128.1(5) . . ? C24 C23 C28 122.4(5) . . ? C25 C24 C23 109.0(5) . . ? C25 C24 C29 127.7(5) . . ? C23 C24 C29 123.2(5) . . ? C24 C25 C30 127.3(5) . . ? C24 C25 C21 109.0(5) . . ? C30 C25 C21 123.7(4) . . ? C32 C31 C35 104.4(4) . . ? C32 C31 C36 112.2(4) . . ? C35 C31 C36 113.2(5) . . ? C32 C31 Ga2 109.5(3) . . ? C35 C31 Ga2 107.0(3) . . ? C36 C31 Ga2 110.2(3) . . ? C33 C32 C31 108.4(5) . . ? C33 C32 C37 126.1(5) . . ? C31 C32 C37 125.1(5) . . ? C32 C33 C34 109.4(5) . . ? C32 C33 C38 127.9(6) . . ? C34 C33 C38 122.7(6) . . ? C35 C34 C33 109.2(5) . . ? C35 C34 C39 126.9(7) . . ? C33 C34 C39 124.0(6) . . ? C34 C35 C40 128.4(6) . . ? C34 C35 C31 108.6(5) . . ? C40 C35 C31 122.9(5) . . ? C45 C41 C42 103.7(4) . . ? C45 C41 C46 117.5(4) . . ? C42 C41 C46 116.3(4) . . ? C45 C41 Ga3 106.1(3) . . ? C42 C41 Ga3 102.0(3) . . ? C46 C41 Ga3 109.7(3) . . ? C43 C42 C41 108.3(5) . . ? C43 C42 C47 128.2(5) . . ? C41 C42 C47 123.3(5) . . ? C42 C43 C44 109.2(4) . . ? C42 C43 C48 126.5(5) . . ? C44 C43 C48 124.2(5) . . ? C45 C44 C43 108.9(4) . . ? C45 C44 C49 127.3(5) . . ? C43 C44 C49 123.8(5) . . ? C44 C45 C41 109.5(4) . . ? C44 C45 C50 126.0(5) . . ? C41 C45 C50 123.0(5) . . ? C52 C51 C55 104.1(5) . . ? C52 C51 C56 117.2(5) . . ? C55 C51 C56 117.0(5) . . ? C52 C51 Ga4 106.6(3) . . ? C55 C51 Ga4 101.9(4) . . ? C56 C51 Ga4 108.6(4) . . ? C53 C52 C51 107.4(7) . . ? C53 C52 C57 127.7(6) . . ? C51 C52 C57 124.1(6) . . ? C52 C53 C54 109.9(6) . . ? C52 C53 C58 126.6(9) . . ? C54 C53 C58 123.5(8) . . ? C55 C54 C53 109.6(7) . . ? C55 C54 C59 125.5(9) . . ? C53 C54 C59 124.9(7) . . ? C54 C55 C51 108.5(7) . . ? C54 C55 C60 128.3(7) . . ? C51 C55 C60 122.9(5) . . ? 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 C2 Ru1 Ru2 C12 154.3(4) . . . . ? C3 Ru1 Ru2 C12 130.6(3) . . . . ? C1 Ru1 Ru2 C12 11.3(6) . . . . ? C6 Ru1 Ru2 C12 30.7(3) . . . . ? C5 Ru1 Ru2 C12 61.1(3) . . . . ? C4 Ru1 Ru2 C12 98.0(3) . . . . ? Ga1 Ru1 Ru2 C12 -101.6(3) . . . . ? Ga4 Ru1 Ru2 C12 -176.7(3) . . . . ? Ga3 Ru1 Ru2 C12 -31.1(3) . . . . ? C2 Ru1 Ru2 C13 131.2(4) . . . . ? C3 Ru1 Ru2 C13 107.5(2) . . . . ? C1 Ru1 Ru2 C13 -11.8(5) . . . . ? C6 Ru1 Ru2 C13 7.5(2) . . . . ? C5 Ru1 Ru2 C13 38.0(2) . . . . ? C4 Ru1 Ru2 C13 74.9(2) . . . . ? Ga1 Ru1 Ru2 C13 -124.71(15) . . . . ? Ga4 Ru1 Ru2 C13 160.17(15) . . . . ? Ga3 Ru1 Ru2 C13 -54.24(15) . . . . ? C2 Ru1 Ru2 C16 32.4(4) . . . . ? C3 Ru1 Ru2 C16 8.7(2) . . . . ? C1 Ru1 Ru2 C16 -110.7(5) . . . . ? C6 Ru1 Ru2 C16 -91.3(2) . . . . ? C5 Ru1 Ru2 C16 -60.8(2) . . . . ? C4 Ru1 Ru2 C16 -24.0(2) . . . . ? Ga1 Ru1 Ru2 C16 136.47(18) . . . . ? Ga4 Ru1 Ru2 C16 61.34(18) . . . . ? Ga3 Ru1 Ru2 C16 -153.07(18) . . . . ? C2 Ru1 Ru2 C15 61.7(4) . . . . ? C3 Ru1 Ru2 C15 38.0(2) . . . . ? C1 Ru1 Ru2 C15 -81.4(5) . . . . ? C6 Ru1 Ru2 C15 -62.0(2) . . . . ? C5 Ru1 Ru2 C15 -31.5(2) . . . . ? C4 Ru1 Ru2 C15 5.3(2) . . . . ? Ga1 Ru1 Ru2 C15 165.78(15) . . . . ? Ga4 Ru1 Ru2 C15 90.66(15) . . . . ? Ga3 Ru1 Ru2 C15 -123.76(15) . . . . ? C2 Ru1 Ru2 C11 17.1(6) . . . . ? C3 Ru1 Ru2 C11 -6.6(6) . . . . ? C1 Ru1 Ru2 C11 -125.9(8) . . . . ? C6 Ru1 Ru2 C11 -106.5(6) . . . . ? C5 Ru1 Ru2 C11 -76.1(6) . . . . ? C4 Ru1 Ru2 C11 -39.2(6) . . . . ? Ga1 Ru1 Ru2 C11 121.2(5) . . . . ? Ga4 Ru1 Ru2 C11 46.1(5) . . . . ? Ga3 Ru1 Ru2 C11 -168.3(6) . . . . ? C2 Ru1 Ru2 C14 98.7(4) . . . . ? C3 Ru1 Ru2 C14 75.0(2) . . . . ? C1 Ru1 Ru2 C14 -44.3(5) . . . . ? C6 Ru1 Ru2 C14 -24.9(2) . . . . ? C5 Ru1 Ru2 C14 5.56(19) . . . . ? C4 Ru1 Ru2 C14 42.4(2) . . . . ? Ga1 Ru1 Ru2 C14 -157.16(13) . . . . ? Ga4 Ru1 Ru2 C14 127.72(13) . . . . ? Ga3 Ru1 Ru2 C14 -86.69(13) . . . . ? C2 Ru1 Ru2 Ga2 -99.4(3) . . . . ? C3 Ru1 Ru2 Ga2 -123.07(16) . . . . ? C1 Ru1 Ru2 Ga2 117.6(5) . . . . ? C6 Ru1 Ru2 Ga2 136.98(16) . . . . ? C5 Ru1 Ru2 Ga2 167.45(14) . . . . ? C4 Ru1 Ru2 Ga2 -155.71(15) . . . . ? Ga1 Ru1 Ru2 Ga2 4.73(2) . . . . ? Ga4 Ru1 Ru2 Ga2 -70.39(2) . . . . ? Ga3 Ru1 Ru2 Ga2 75.20(2) . . . . ? C2 Ru1 Ru2 Ga4 -29.0(3) . . . . ? C3 Ru1 Ru2 Ga4 -52.68(16) . . . . ? C1 Ru1 Ru2 Ga4 -172.0(5) . . . . ? C6 Ru1 Ru2 Ga4 -152.63(17) . . . . ? C5 Ru1 Ru2 Ga4 -122.16(14) . . . . ? C4 Ru1 Ru2 Ga4 -85.32(15) . . . . ? Ga1 Ru1 Ru2 Ga4 75.12(2) . . . . ? Ga3 Ru1 Ru2 Ga4 145.59(3) . . . . ? C2 Ru1 Ru2 Ga3 -174.6(3) . . . . ? C3 Ru1 Ru2 Ga3 161.74(17) . . . . ? C1 Ru1 Ru2 Ga3 42.4(5) . . . . ? C6 Ru1 Ru2 Ga3 61.79(16) . . . . ? C5 Ru1 Ru2 Ga3 92.25(14) . . . . ? C4 Ru1 Ru2 Ga3 129.10(15) . . . . ? Ga1 Ru1 Ru2 Ga3 -70.47(2) . . . . ? Ga4 Ru1 Ru2 Ga3 -145.59(3) . . . . ? C2 Ru1 Ga1 C21 -16.8(3) . . . . ? C3 Ru1 Ga1 C21 -42.9(3) . . . . ? C1 Ru1 Ga1 C21 20.2(3) . . . . ? C6 Ru1 Ga1 C21 46.3(3) . . . . ? C5 Ru1 Ga1 C21 46.3(4) . . . . ? C4 Ru1 Ga1 C21 -41.6(4) . . . . ? Ga4 Ru1 Ga1 C21 -123.9(3) . . . . ? Ga3 Ru1 Ga1 C21 138.9(3) . . . . ? Ru2 Ru1 Ga1 C21 -172.9(3) . . . . ? C2 Ru1 Ga1 Cl2 -161.89(13) . . . . ? C3 Ru1 Ga1 Cl2 172.08(15) . . . . ? C1 Ru1 Ga1 Cl2 -124.82(14) . . . . ? C6 Ru1 Ga1 Cl2 -98.70(15) . . . . ? C5 Ru1 Ga1 Cl2 -98.7(3) . . . . ? C4 Ru1 Ga1 Cl2 173.4(3) . . . . ? Ga4 Ru1 Ga1 Cl2 91.09(4) . . . . ? Ga3 Ru1 Ga1 Cl2 -6.18(4) . . . . ? Ru2 Ru1 Ga1 Cl2 42.05(4) . . . . ? C2 Ru1 Ga1 Cl1 112.36(13) . . . . ? C3 Ru1 Ga1 Cl1 86.33(15) . . . . ? C1 Ru1 Ga1 Cl1 149.43(13) . . . . ? C6 Ru1 Ga1 Cl1 175.55(14) . . . . ? C5 Ru1 Ga1 Cl1 175.5(3) . . . . ? C4 Ru1 Ga1 Cl1 87.6(3) . . . . ? Ga4 Ru1 Ga1 Cl1 5.34(3) . . . . ? Ga3 Ru1 Ga1 Cl1 -91.93(4) . . . . ? Ru2 Ru1 Ga1 Cl1 -43.71(3) . . . . ? C12 Ru2 Ga2 C31 -17.0(3) . . . . ? C13 Ru2 Ga2 C31 -42.4(3) . . . . ? C16 Ru2 Ga2 C31 47.2(3) . . . . ? C15 Ru2 Ga2 C31 50.6(4) . . . . ? C11 Ru2 Ga2 C31 20.1(3) . . . . ? C14 Ru2 Ga2 C31 -40.4(4) . . . . ? Ga4 Ru2 Ga2 C31 139.8(3) . . . . ? Ga3 Ru2 Ga2 C31 -122.8(3) . . . . ? Ru1 Ru2 Ga2 C31 -172.0(3) . . . . ? C12 Ru2 Ga2 Cl1 -165.21(13) . . . . ? C13 Ru2 Ga2 Cl1 169.44(14) . . . . ? C16 Ru2 Ga2 Cl1 -100.98(16) . . . . ? C15 Ru2 Ga2 Cl1 -97.6(3) . . . . ? C11 Ru2 Ga2 Cl1 -128.06(14) . . . . ? C14 Ru2 Ga2 Cl1 171.5(3) . . . . ? Ga4 Ru2 Ga2 Cl1 -8.34(4) . . . . ? Ga3 Ru2 Ga2 Cl1 89.01(4) . . . . ? Ru1 Ru2 Ga2 Cl1 39.84(4) . . . . ? C12 Ru2 Ga2 Cl2 110.84(13) . . . . ? C13 Ru2 Ga2 Cl2 85.49(14) . . . . ? C16 Ru2 Ga2 Cl2 175.07(15) . . . . ? C15 Ru2 Ga2 Cl2 178.4(3) . . . . ? C11 Ru2 Ga2 Cl2 147.99(14) . . . . ? C14 Ru2 Ga2 Cl2 87.5(3) . . . . ? Ga4 Ru2 Ga2 Cl2 -92.29(3) . . . . ? Ga3 Ru2 Ga2 Cl2 5.05(3) . . . . ? Ru1 Ru2 Ga2 Cl2 -44.12(3) . . . . ? C2 Ru1 Ga3 C41 -33.6(4) . . . . ? C3 Ru1 Ga3 C41 83.2(5) . . . . ? C1 Ru1 Ga3 C41 -17.6(2) . . . . ? C6 Ru1 Ga3 C41 14.1(2) . . . . ? C5 Ru1 Ga3 C41 50.5(2) . . . . ? C4 Ru1 Ga3 C41 78.2(2) . . . . ? Ga1 Ru1 Ga3 C41 -102.08(18) . . . . ? Ga4 Ru1 Ga3 C41 177.54(18) . . . . ? Ru2 Ru1 Ga3 C41 151.50(18) . . . . ? C2 Ru1 Ga3 Ru2 174.9(3) . . . . ? C3 Ru1 Ga3 Ru2 -68.3(5) . . . . ? C1 Ru1 Ga3 Ru2 -169.13(14) . . . . ? C6 Ru1 Ga3 Ru2 -137.41(12) . . . . ? C5 Ru1 Ga3 Ru2 -101.02(13) . . . . ? C4 Ru1 Ga3 Ru2 -73.33(17) . . . . ? Ga1 Ru1 Ga3 Ru2 106.42(2) . . . . ? Ga4 Ru1 Ga3 Ru2 26.04(2) . . . . ? C2 Ru1 Ga3 Cl2 73.9(3) . . . . ? C3 Ru1 Ga3 Cl2 -169.2(5) . . . . ? C1 Ru1 Ga3 Cl2 89.93(14) . . . . ? C6 Ru1 Ga3 Cl2 121.65(12) . . . . ? C5 Ru1 Ga3 Cl2 158.04(13) . . . . ? C4 Ru1 Ga3 Cl2 -174.26(17) . . . . ? Ga1 Ru1 Ga3 Cl2 5.48(3) . . . . ? Ga4 Ru1 Ga3 Cl2 -74.90(3) . . . . ? Ru2 Ru1 Ga3 Cl2 -100.93(3) . . . . ? C12 Ru2 Ga3 C41 15.8(2) . . . . ? C13 Ru2 Ga3 C41 -14.9(2) . . . . ? C16 Ru2 Ga3 C41 -47.4(4) . . . . ? C15 Ru2 Ga3 C41 -69.7(2) . . . . ? C11 Ru2 Ga3 C41 25.0(3) . . . . ? C14 Ru2 Ga3 C41 -49.6(2) . . . . ? Ga2 Ru2 Ga3 C41 106.5(2) . . . . ? Ga4 Ru2 Ga3 C41 -176.53(19) . . . . ? Ru1 Ru2 Ga3 C41 -150.5(2) . . . . ? C12 Ru2 Ga3 Ru1 166.30(13) . . . . ? C13 Ru2 Ga3 Ru1 135.55(13) . . . . ? C16 Ru2 Ga3 Ru1 103.1(4) . . . . ? C15 Ru2 Ga3 Ru1 80.79(16) . . . . ? C11 Ru2 Ga3 Ru1 175.5(2) . . . . ? C14 Ru2 Ga3 Ru1 100.93(13) . . . . ? Ga2 Ru2 Ga3 Ru1 -102.98(2) . . . . ? Ga4 Ru2 Ga3 Ru1 -26.05(2) . . . . ? C12 Ru2 Ga3 Cl2 -95.81(13) . . . . ? C13 Ru2 Ga3 Cl2 -126.56(13) . . . . ? C16 Ru2 Ga3 Cl2 -159.0(4) . . . . ? C15 Ru2 Ga3 Cl2 178.67(16) . . . . ? C11 Ru2 Ga3 Cl2 -86.6(2) . . . . ? C14 Ru2 Ga3 Cl2 -161.18(13) . . . . ? Ga2 Ru2 Ga3 Cl2 -5.10(3) . . . . ? Ga4 Ru2 Ga3 Cl2 71.84(3) . . . . ? Ru1 Ru2 Ga3 Cl2 97.89(3) . . . . ? C12 Ru2 Ga4 C51 -29.5(4) . . . . ? C13 Ru2 Ga4 C51 86.3(5) . . . . ? C16 Ru2 Ga4 C51 16.0(3) . . . . ? C15 Ru2 Ga4 C51 52.2(3) . . . . ? C11 Ru2 Ga4 C51 -14.8(3) . . . . ? C14 Ru2 Ga4 C51 80.3(3) . . . . ? Ga2 Ru2 Ga4 C51 -99.8(2) . . . . ? Ga3 Ru2 Ga4 C51 -179.9(2) . . . . ? Ru1 Ru2 Ga4 C51 154.0(2) . . . . ? C12 Ru2 Ga4 Ru1 176.5(3) . . . . ? C13 Ru2 Ga4 Ru1 -67.7(4) . . . . ? C16 Ru2 Ga4 Ru1 -137.97(13) . . . . ? C15 Ru2 Ga4 Ru1 -101.83(13) . . . . ? C11 Ru2 Ga4 Ru1 -168.83(14) . . . . ? C14 Ru2 Ga4 Ru1 -73.69(15) . . . . ? Ga2 Ru2 Ga4 Ru1 106.21(2) . . . . ? Ga3 Ru2 Ga4 Ru1 26.07(2) . . . . ? C12 Ru2 Ga4 Cl1 77.6(3) . . . . ? C13 Ru2 Ga4 Cl1 -166.6(4) . . . . ? C16 Ru2 Ga4 Cl1 123.11(13) . . . . ? C15 Ru2 Ga4 Cl1 159.25(13) . . . . ? C11 Ru2 Ga4 Cl1 92.25(14) . . . . ? C14 Ru2 Ga4 Cl1 -172.61(16) . . . . ? Ga2 Ru2 Ga4 Cl1 7.29(3) . . . . ? Ga3 Ru2 Ga4 Cl1 -72.85(3) . . . . ? Ru1 Ru2 Ga4 Cl1 -98.92(3) . . . . ? C2 Ru1 Ga4 C51 16.1(3) . . . . ? C3 Ru1 Ga4 C51 -14.5(3) . . . . ? C1 Ru1 Ga4 C51 25.0(3) . . . . ? C6 Ru1 Ga4 C51 -49.9(4) . . . . ? C5 Ru1 Ga4 C51 -69.6(3) . . . . ? C4 Ru1 Ga4 C51 -49.3(3) . . . . ? Ga1 Ru1 Ga4 C51 105.0(3) . . . . ? Ga3 Ru1 Ga4 C51 -177.8(3) . . . . ? Ru2 Ru1 Ga4 C51 -151.7(3) . . . . ? C2 Ru1 Ga4 Ru2 167.77(14) . . . . ? C3 Ru1 Ga4 Ru2 137.22(14) . . . . ? C1 Ru1 Ga4 Ru2 176.7(2) . . . . ? C6 Ru1 Ga4 Ru2 101.7(3) . . . . ? C5 Ru1 Ga4 Ru2 82.04(16) . . . . ? C4 Ru1 Ga4 Ru2 102.33(14) . . . . ? Ga1 Ru1 Ga4 Ru2 -103.33(2) . . . . ? Ga3 Ru1 Ga4 Ru2 -26.09(2) . . . . ? C2 Ru1 Ga4 Cl1 -94.03(14) . . . . ? C3 Ru1 Ga4 Cl1 -124.58(14) . . . . ? C1 Ru1 Ga4 Cl1 -85.1(2) . . . . ? C6 Ru1 Ga4 Cl1 -160.1(3) . . . . ? C5 Ru1 Ga4 Cl1 -179.75(16) . . . . ? C4 Ru1 Ga4 Cl1 -159.46(14) . . . . ? Ga1 Ru1 Ga4 Cl1 -5.12(3) . . . . ? Ga3 Ru1 Ga4 Cl1 72.12(3) . . . . ? Ru2 Ru1 Ga4 Cl1 98.20(3) . . . . ? C31 Ga2 Cl1 Ga1 130.98(15) . . . . ? Ru2 Ga2 Cl1 Ga1 -65.03(4) . . . . ? Cl2 Ga2 Cl1 Ga1 36.26(3) . . . . ? C31 Ga2 Cl1 Ga4 -156.20(15) . . . . ? Ru2 Ga2 Cl1 Ga4 7.79(3) . . . . ? Cl2 Ga2 Cl1 Ga4 109.08(3) . . . . ? C21 Ga1 Cl1 Ga2 -137.73(14) . . . . ? Ru1 Ga1 Cl1 Ga2 66.73(4) . . . . ? Cl2 Ga1 Cl1 Ga2 -40.34(4) . . . . ? C21 Ga1 Cl1 Ga4 150.51(14) . . . . ? Ru1 Ga1 Cl1 Ga4 -5.02(3) . . . . ? Cl2 Ga1 Cl1 Ga4 -112.09(4) . . . . ? C51 Ga4 Cl1 Ga2 130.34(14) . . . . ? Ru2 Ga4 Cl1 Ga2 -7.20(3) . . . . ? Ru1 Ga4 Cl1 Ga2 -87.41(3) . . . . ? C51 Ga4 Cl1 Ga1 -137.45(14) . . . . ? Ru2 Ga4 Cl1 Ga1 85.01(3) . . . . ? Ru1 Ga4 Cl1 Ga1 4.80(3) . . . . ? C21 Ga1 Cl2 Ga3 -156.28(14) . . . . ? Ru1 Ga1 Cl2 Ga3 5.82(3) . . . . ? Cl1 Ga1 Cl2 Ga3 108.45(4) . . . . ? C21 Ga1 Cl2 Ga2 131.48(14) . . . . ? Ru1 Ga1 Cl2 Ga2 -66.43(4) . . . . ? Cl1 Ga1 Cl2 Ga2 36.21(3) . . . . ? C41 Ga3 Cl2 Ga1 133.03(13) . . . . ? Ru1 Ga3 Cl2 Ga1 -5.42(3) . . . . ? Ru2 Ga3 Cl2 Ga1 -85.76(3) . . . . ? C41 Ga3 Cl2 Ga2 -136.58(13) . . . . ? Ru1 Ga3 Cl2 Ga2 84.97(3) . . . . ? Ru2 Ga3 Cl2 Ga2 4.64(3) . . . . ? C31 Ga2 Cl2 Ga1 -135.81(16) . . . . ? Ru2 Ga2 Cl2 Ga1 68.50(4) . . . . ? Cl1 Ga2 Cl2 Ga1 -39.25(4) . . . . ? C31 Ga2 Cl2 Ga3 150.85(16) . . . . ? Ru2 Ga2 Cl2 Ga3 -4.84(3) . . . . ? Cl1 Ga2 Cl2 Ga3 -112.58(4) . . . . ? C2 Ru1 C1 C6 -130.1(4) . . . . ? C3 Ru1 C1 C6 -100.5(3) . . . . ? C5 Ru1 C1 C6 -28.8(3) . . . . ? C4 Ru1 C1 C6 -64.6(3) . . . . ? Ga1 Ru1 C1 C6 138.6(3) . . . . ? Ga4 Ru1 C1 C6 -144.4(2) . . . . ? Ga3 Ru1 C1 C6 61.6(3) . . . . ? Ru2 Ru1 C1 C6 25.2(7) . . . . ? C3 Ru1 C1 C2 29.7(3) . . . . ? C6 Ru1 C1 C2 130.1(4) . . . . ? C5 Ru1 C1 C2 101.3(3) . . . . ? C4 Ru1 C1 C2 65.5(3) . . . . ? Ga1 Ru1 C1 C2 -91.3(3) . . . . ? Ga4 Ru1 C1 C2 -14.3(4) . . . . ? Ga3 Ru1 C1 C2 -168.3(2) . . . . ? Ru2 Ru1 C1 C2 155.3(4) . . . . ? C2 Ru1 C1 C7 110.2(6) . . . . ? C3 Ru1 C1 C7 139.8(6) . . . . ? C6 Ru1 C1 C7 -119.7(7) . . . . ? C5 Ru1 C1 C7 -148.5(6) . . . . ? C4 Ru1 C1 C7 175.7(6) . . . . ? Ga1 Ru1 C1 C7 18.9(5) . . . . ? Ga4 Ru1 C1 C7 95.9(5) . . . . ? Ga3 Ru1 C1 C7 -58.1(6) . . . . ? Ru2 Ru1 C1 C7 -94.5(7) . . . . ? C6 C1 C2 C3 -3.2(6) . . . . ? C7 C1 C2 C3 168.8(4) . . . . ? Ru1 C1 C2 C3 -58.5(4) . . . . ? C6 C1 C2 Ru1 55.4(4) . . . . ? C7 C1 C2 Ru1 -132.7(4) . . . . ? C1 Ru1 C2 C3 130.8(5) . . . . ? C6 Ru1 C2 C3 101.0(3) . . . . ? C5 Ru1 C2 C3 64.6(3) . . . . ? C4 Ru1 C2 C3 28.6(3) . . . . ? Ga1 Ru1 C2 C3 -139.8(3) . . . . ? Ga4 Ru1 C2 C3 -58.0(3) . . . . ? Ga3 Ru1 C2 C3 154.6(3) . . . . ? Ru2 Ru1 C2 C3 -35.0(5) . . . . ? C3 Ru1 C2 C1 -130.8(5) . . . . ? C6 Ru1 C2 C1 -29.8(3) . . . . ? C5 Ru1 C2 C1 -66.2(3) . . . . ? C4 Ru1 C2 C1 -102.2(3) . . . . ? Ga1 Ru1 C2 C1 89.4(3) . . . . ? Ga4 Ru1 C2 C1 171.2(3) . . . . ? Ga3 Ru1 C2 C1 23.8(5) . . . . ? Ru2 Ru1 C2 C1 -165.8(2) . . . . ? C1 C2 C3 C4 2.4(7) . . . . ? Ru1 C2 C3 C4 -56.0(4) . . . . ? C1 C2 C3 Ru1 58.4(4) . . . . ? C2 Ru1 C3 C4 131.9(5) . . . . ? C1 Ru1 C3 C4 101.9(3) . . . . ? C6 Ru1 C3 C4 65.2(3) . . . . ? C5 Ru1 C3 C4 29.1(3) . . . . ? Ga1 Ru1 C3 C4 179.0(3) . . . . ? Ga4 Ru1 C3 C4 -102.5(3) . . . . ? Ga3 Ru1 C3 C4 -6.9(7) . . . . ? Ru2 Ru1 C3 C4 -64.5(3) . . . . ? C1 Ru1 C3 C2 -29.9(3) . . . . ? C6 Ru1 C3 C2 -66.7(3) . . . . ? C5 Ru1 C3 C2 -102.8(3) . . . . ? C4 Ru1 C3 C2 -131.9(5) . . . . ? Ga1 Ru1 C3 C2 47.2(3) . . . . ? Ga4 Ru1 C3 C2 125.6(3) . . . . ? Ga3 Ru1 C3 C2 -138.7(4) . . . . ? Ru2 Ru1 C3 C2 163.7(2) . . . . ? C2 C3 C4 C5 0.5(7) . . . . ? Ru1 C3 C4 C5 -53.5(4) . . . . ? C2 C3 C4 C8 -174.4(4) . . . . ? Ru1 C3 C4 C8 131.7(5) . . . . ? C2 C3 C4 Ru1 53.9(4) . . . . ? C2 Ru1 C4 C3 -29.3(3) . . . . ? C1 Ru1 C4 C3 -66.5(3) . . . . ? C6 Ru1 C4 C3 -102.7(3) . . . . ? C5 Ru1 C4 C3 -131.6(4) . . . . ? Ga1 Ru1 C4 C3 -1.9(5) . . . . ? Ga4 Ru1 C4 C3 77.5(3) . . . . ? Ga3 Ru1 C4 C3 177.5(2) . . . . ? Ru2 Ru1 C4 C3 128.1(3) . . . . ? C2 Ru1 C4 C5 102.2(3) . . . . ? C3 Ru1 C4 C5 131.6(4) . . . . ? C1 Ru1 C4 C5 65.1(3) . . . . ? C6 Ru1 C4 C5 28.9(3) . . . . ? Ga1 Ru1 C4 C5 129.6(3) . . . . ? Ga4 Ru1 C4 C5 -150.9(3) . . . . ? Ga3 Ru1 C4 C5 -50.9(3) . . . . ? Ru2 Ru1 C4 C5 -100.3(3) . . . . ? C2 Ru1 C4 C8 -143.9(7) . . . . ? C3 Ru1 C4 C8 -114.5(7) . . . . ? C1 Ru1 C4 C8 179.0(6) . . . . ? C6 Ru1 C4 C8 142.8(7) . . . . ? C5 Ru1 C4 C8 113.9(7) . . . . ? Ga1 Ru1 C4 C8 -116.5(6) . . . . ? Ga4 Ru1 C4 C8 -37.0(6) . . . . ? Ga3 Ru1 C4 C8 63.0(6) . . . . ? Ru2 Ru1 C4 C8 13.6(6) . . . . ? C3 C4 C5 C6 -2.5(7) . . . . ? C8 C4 C5 C6 172.5(4) . . . . ? Ru1 C4 C5 C6 -55.7(4) . . . . ? C3 C4 C5 Ru1 53.2(4) . . . . ? C8 C4 C5 Ru1 -131.8(4) . . . . ? C2 Ru1 C5 C6 66.3(3) . . . . ? C3 Ru1 C5 C6 103.1(3) . . . . ? C1 Ru1 C5 C6 29.0(3) . . . . ? C4 Ru1 C5 C6 132.0(4) . . . . ? Ga1 Ru1 C5 C6 0.0(5) . . . . ? Ga4 Ru1 C5 C6 168.2(2) . . . . ? Ga3 Ru1 C5 C6 -86.8(3) . . . . ? Ru2 Ru1 C5 C6 -139.1(3) . . . . ? C2 Ru1 C5 C4 -65.7(3) . . . . ? C3 Ru1 C5 C4 -29.0(3) . . . . ? C1 Ru1 C5 C4 -103.1(3) . . . . ? C6 Ru1 C5 C4 -132.0(4) . . . . ? Ga1 Ru1 C5 C4 -132.0(3) . . . . ? Ga4 Ru1 C5 C4 36.1(3) . . . . ? Ga3 Ru1 C5 C4 141.1(3) . . . . ? Ru2 Ru1 C5 C4 88.9(3) . . . . ? C4 C5 C6 C1 1.7(7) . . . . ? Ru1 C5 C6 C1 -54.8(4) . . . . ? C4 C5 C6 Ru1 56.5(4) . . . . ? C2 C1 C6 C5 1.1(6) . . . . ? C7 C1 C6 C5 -170.4(4) . . . . ? Ru1 C1 C6 C5 55.1(4) . . . . ? C2 C1 C6 Ru1 -54.0(4) . . . . ? C7 C1 C6 Ru1 134.5(4) . . . . ? C2 Ru1 C6 C5 -101.6(3) . . . . ? C3 Ru1 C6 C5 -64.6(3) . . . . ? C1 Ru1 C6 C5 -132.0(4) . . . . ? C4 Ru1 C6 C5 -28.7(3) . . . . ? Ga1 Ru1 C6 C5 -180.0(3) . . . . ? Ga4 Ru1 C6 C5 -28.1(5) . . . . ? Ga3 Ru1 C6 C5 99.4(3) . . . . ? Ru2 Ru1 C6 C5 55.9(3) . . . . ? C2 Ru1 C6 C1 30.4(3) . . . . ? C3 Ru1 C6 C1 67.5(3) . . . . ? C5 Ru1 C6 C1 132.0(4) . . . . ? C4 Ru1 C6 C1 103.3(3) . . . . ? Ga1 Ru1 C6 C1 -48.0(3) . . . . ? Ga4 Ru1 C6 C1 103.9(4) . . . . ? Ga3 Ru1 C6 C1 -128.5(3) . . . . ? Ru2 Ru1 C6 C1 -172.1(2) . . . . ? C6 C1 C7 C10 -28.5(6) . . . . ? C2 C1 C7 C10 160.0(4) . . . . ? Ru1 C1 C7 C10 70.5(7) . . . . ? C6 C1 C7 C9 95.4(6) . . . . ? C2 C1 C7 C9 -76.1(6) . . . . ? Ru1 C1 C7 C9 -165.6(4) . . . . ? C12 Ru2 C11 C16 -130.6(4) . . . . ? C13 Ru2 C11 C16 -100.7(3) . . . . ? C15 Ru2 C11 C16 -28.5(3) . . . . ? C14 Ru2 C11 C16 -64.9(3) . . . . ? Ga2 Ru2 C11 C16 136.5(3) . . . . ? Ga4 Ru2 C11 C16 59.4(3) . . . . ? Ga3 Ru2 C11 C16 -145.4(3) . . . . ? Ru1 Ru2 C11 C16 19.7(7) . . . . ? C13 Ru2 C11 C12 29.9(3) . . . . ? C16 Ru2 C11 C12 130.6(4) . . . . ? C15 Ru2 C11 C12 102.1(3) . . . . ? C14 Ru2 C11 C12 65.7(3) . . . . ? Ga2 Ru2 C11 C12 -92.9(3) . . . . ? Ga4 Ru2 C11 C12 -169.9(2) . . . . ? Ga3 Ru2 C11 C12 -14.8(4) . . . . ? Ru1 Ru2 C11 C12 150.3(5) . . . . ? C12 Ru2 C11 C17 110.5(6) . . . . ? C13 Ru2 C11 C17 140.5(6) . . . . ? C16 Ru2 C11 C17 -118.9(7) . . . . ? C15 Ru2 C11 C17 -147.4(6) . . . . ? C14 Ru2 C11 C17 176.3(5) . . . . ? Ga2 Ru2 C11 C17 17.6(5) . . . . ? Ga4 Ru2 C11 C17 -59.4(5) . . . . ? Ga3 Ru2 C11 C17 95.7(5) . . . . ? Ru1 Ru2 C11 C17 -99.2(6) . . . . ? C16 C11 C12 C13 -5.2(6) . . . . ? C17 C11 C12 C13 168.5(4) . . . . ? Ru2 C11 C12 C13 -59.5(4) . . . . ? C16 C11 C12 Ru2 54.3(4) . . . . ? C17 C11 C12 Ru2 -132.0(4) . . . . ? C16 Ru2 C12 C13 100.5(3) . . . . ? C15 Ru2 C12 C13 64.6(3) . . . . ? C11 Ru2 C12 C13 129.9(4) . . . . ? C14 Ru2 C12 C13 28.3(3) . . . . ? Ga2 Ru2 C12 C13 -141.4(3) . . . . ? Ga4 Ru2 C12 C13 151.4(3) . . . . ? Ga3 Ru2 C12 C13 -59.4(3) . . . . ? Ru1 Ru2 C12 C13 -34.8(5) . . . . ? C13 Ru2 C12 C11 -129.9(4) . . . . ? C16 Ru2 C12 C11 -29.4(3) . . . . ? C15 Ru2 C12 C11 -65.3(3) . . . . ? C14 Ru2 C12 C11 -101.6(3) . . . . ? Ga2 Ru2 C12 C11 88.6(3) . . . . ? Ga4 Ru2 C12 C11 21.4(5) . . . . ? Ga3 Ru2 C12 C11 170.7(2) . . . . ? Ru1 Ru2 C12 C11 -164.7(2) . . . . ? C11 C12 C13 C14 3.4(7) . . . . ? Ru2 C12 C13 C14 -56.1(4) . . . . ? C11 C12 C13 Ru2 59.5(4) . . . . ? C16 Ru2 C13 C12 -67.2(3) . . . . ? C15 Ru2 C13 C12 -103.1(3) . . . . ? C11 Ru2 C13 C12 -30.6(3) . . . . ? C14 Ru2 C13 C12 -132.4(4) . . . . ? Ga2 Ru2 C13 C12 46.2(3) . . . . ? Ga4 Ru2 C13 C12 -140.7(3) . . . . ? Ga3 Ru2 C13 C12 124.0(3) . . . . ? Ru1 Ru2 C13 C12 163.0(2) . . . . ? C12 Ru2 C13 C14 132.4(4) . . . . ? C16 Ru2 C13 C14 65.2(3) . . . . ? C15 Ru2 C13 C14 29.3(3) . . . . ? C11 Ru2 C13 C14 101.9(3) . . . . ? Ga2 Ru2 C13 C14 178.6(2) . . . . ? Ga4 Ru2 C13 C14 -8.3(6) . . . . ? Ga3 Ru2 C13 C14 -103.6(3) . . . . ? Ru1 Ru2 C13 C14 -64.6(3) . . . . ? C12 C13 C14 C15 1.0(7) . . . . ? Ru2 C13 C14 C15 -52.8(4) . . . . ? C12 C13 C14 C18 -174.8(4) . . . . ? Ru2 C13 C14 C18 131.3(4) . . . . ? C12 C13 C14 Ru2 53.9(4) . . . . ? C12 Ru2 C14 C13 -28.9(3) . . . . ? C16 Ru2 C14 C13 -102.5(3) . . . . ? C15 Ru2 C14 C13 -131.5(4) . . . . ? C11 Ru2 C14 C13 -66.2(3) . . . . ? Ga2 Ru2 C14 C13 -3.0(5) . . . . ? Ga4 Ru2 C14 C13 176.8(2) . . . . ? Ga3 Ru2 C14 C13 76.7(3) . . . . ? Ru1 Ru2 C14 C13 127.5(3) . . . . ? C12 Ru2 C14 C15 102.7(3) . . . . ? C13 Ru2 C14 C15 131.5(4) . . . . ? C16 Ru2 C14 C15 29.1(3) . . . . ? C11 Ru2 C14 C15 65.3(3) . . . . ? Ga2 Ru2 C14 C15 128.5(3) . . . . ? Ga4 Ru2 C14 C15 -51.7(3) . . . . ? Ga3 Ru2 C14 C15 -151.8(3) . . . . ? Ru1 Ru2 C14 C15 -101.0(3) . . . . ? C12 Ru2 C14 C18 -143.2(6) . . . . ? C13 Ru2 C14 C18 -114.3(7) . . . . ? C16 Ru2 C14 C18 143.2(6) . . . . ? C15 Ru2 C14 C18 114.2(6) . . . . ? C11 Ru2 C14 C18 179.4(6) . . . . ? Ga2 Ru2 C14 C18 -117.3(5) . . . . ? Ga4 Ru2 C14 C18 62.4(6) . . . . ? Ga3 Ru2 C14 C18 -37.6(5) . . . . ? Ru1 Ru2 C14 C18 13.2(6) . . . . ? C13 C14 C15 C16 -3.6(7) . . . . ? C18 C14 C15 C16 172.2(5) . . . . ? Ru2 C14 C15 C16 -56.4(4) . . . . ? C13 C14 C15 Ru2 52.7(4) . . . . ? C18 C14 C15 Ru2 -131.4(4) . . . . ? C12 Ru2 C15 C16 66.1(3) . . . . ? C13 Ru2 C15 C16 102.4(3) . . . . ? C11 Ru2 C15 C16 28.8(3) . . . . ? C14 Ru2 C15 C16 131.3(4) . . . . ? Ga2 Ru2 C15 C16 -5.1(5) . . . . ? Ga4 Ru2 C15 C16 -88.9(3) . . . . ? Ga3 Ru2 C15 C16 166.8(3) . . . . ? Ru1 Ru2 C15 C16 -140.7(3) . . . . ? C12 Ru2 C15 C14 -65.1(3) . . . . ? C13 Ru2 C15 C14 -28.8(3) . . . . ? C16 Ru2 C15 C14 -131.3(4) . . . . ? C11 Ru2 C15 C14 -102.4(3) . . . . ? Ga2 Ru2 C15 C14 -136.4(3) . . . . ? Ga4 Ru2 C15 C14 139.9(3) . . . . ? Ga3 Ru2 C15 C14 35.5(3) . . . . ? Ru1 Ru2 C15 C14 88.0(3) . . . . ? C14 C15 C16 C11 1.7(7) . . . . ? Ru2 C15 C16 C11 -55.5(4) . . . . ? C14 C15 C16 Ru2 57.2(4) . . . . ? C12 C11 C16 C15 2.6(7) . . . . ? C17 C11 C16 C15 -170.8(4) . . . . ? Ru2 C11 C16 C15 55.6(4) . . . . ? C12 C11 C16 Ru2 -52.9(4) . . . . ? C17 C11 C16 Ru2 133.6(5) . . . . ? C12 Ru2 C16 C15 -102.0(3) . . . . ? C13 Ru2 C16 C15 -65.2(3) . . . . ? C11 Ru2 C16 C15 -132.2(5) . . . . ? C14 Ru2 C16 C15 -29.4(3) . . . . ? Ga2 Ru2 C16 C15 177.3(3) . . . . ? Ga4 Ru2 C16 C15 97.0(3) . . . . ? Ga3 Ru2 C16 C15 -31.8(6) . . . . ? Ru1 Ru2 C16 C15 53.8(4) . . . . ? C12 Ru2 C16 C11 30.2(3) . . . . ? C13 Ru2 C16 C11 67.0(3) . . . . ? C15 Ru2 C16 C11 132.2(5) . . . . ? C14 Ru2 C16 C11 102.8(3) . . . . ? Ga2 Ru2 C16 C11 -50.4(3) . . . . ? Ga4 Ru2 C16 C11 -130.8(3) . . . . ? Ga3 Ru2 C16 C11 100.4(4) . . . . ? Ru1 Ru2 C16 C11 -174.0(2) . . . . ? C16 C11 C17 C19 -21.5(7) . . . . ? C12 C11 C17 C19 165.2(5) . . . . ? Ru2 C11 C17 C19 76.2(7) . . . . ? C16 C11 C17 C20 101.2(6) . . . . ? C12 C11 C17 C20 -72.2(6) . . . . ? Ru2 C11 C17 C20 -161.2(5) . . . . ? Ru1 Ga1 C21 C25 38.9(5) . . . . ? Cl2 Ga1 C21 C25 -174.4(3) . . . . ? Cl1 Ga1 C21 C25 -92.1(3) . . . . ? Ru1 Ga1 C21 C22 -73.8(4) . . . . ? Cl2 Ga1 C21 C22 73.0(3) . . . . ? Cl1 Ga1 C21 C22 155.2(3) . . . . ? Ru1 Ga1 C21 C26 162.4(3) . . . . ? Cl2 Ga1 C21 C26 -50.9(4) . . . . ? Cl1 Ga1 C21 C26 31.4(4) . . . . ? C25 C21 C22 C23 0.1(5) . . . . ? C26 C21 C22 C23 -121.2(5) . . . . ? Ga1 C21 C22 C23 115.1(4) . . . . ? C25 C21 C22 C27 176.3(5) . . . . ? C26 C21 C22 C27 55.0(7) . . . . ? Ga1 C21 C22 C27 -68.8(6) . . . . ? C27 C22 C23 C24 -176.0(5) . . . . ? C21 C22 C23 C24 0.1(6) . . . . ? C27 C22 C23 C28 3.3(9) . . . . ? C21 C22 C23 C28 179.4(5) . . . . ? C22 C23 C24 C25 -0.3(6) . . . . ? C28 C23 C24 C25 -179.6(5) . . . . ? C22 C23 C24 C29 177.7(5) . . . . ? C28 C23 C24 C29 -1.7(8) . . . . ? C23 C24 C25 C30 -179.9(5) . . . . ? C29 C24 C25 C30 2.3(10) . . . . ? C23 C24 C25 C21 0.3(6) . . . . ? C29 C24 C25 C21 -177.5(5) . . . . ? C22 C21 C25 C24 -0.3(6) . . . . ? C26 C21 C25 C24 119.9(5) . . . . ? Ga1 C21 C25 C24 -117.7(4) . . . . ? C22 C21 C25 C30 179.9(5) . . . . ? C26 C21 C25 C30 -59.9(7) . . . . ? Ga1 C21 C25 C30 62.5(6) . . . . ? Ru2 Ga2 C31 C32 -76.4(5) . . . . ? Cl1 Ga2 C31 C32 73.5(3) . . . . ? Cl2 Ga2 C31 C32 153.9(3) . . . . ? Ru2 Ga2 C31 C35 36.2(5) . . . . ? Cl1 Ga2 C31 C35 -173.9(3) . . . . ? Cl2 Ga2 C31 C35 -93.4(3) . . . . ? Ru2 Ga2 C31 C36 159.7(3) . . . . ? Cl1 Ga2 C31 C36 -50.4(4) . . . . ? Cl2 Ga2 C31 C36 30.1(4) . . . . ? C35 C31 C32 C33 1.4(6) . . . . ? C36 C31 C32 C33 -121.6(5) . . . . ? Ga2 C31 C32 C33 115.7(4) . . . . ? C35 C31 C32 C37 174.5(5) . . . . ? C36 C31 C32 C37 51.5(7) . . . . ? Ga2 C31 C32 C37 -71.2(6) . . . . ? C31 C32 C33 C34 -0.8(6) . . . . ? C37 C32 C33 C34 -173.9(5) . . . . ? C31 C32 C33 C38 176.6(5) . . . . ? C37 C32 C33 C38 3.6(9) . . . . ? C32 C33 C34 C35 -0.1(7) . . . . ? C38 C33 C34 C35 -177.7(5) . . . . ? C32 C33 C34 C39 -179.9(6) . . . . ? C38 C33 C34 C39 2.5(10) . . . . ? C33 C34 C35 C40 178.4(6) . . . . ? C39 C34 C35 C40 -1.8(11) . . . . ? C33 C34 C35 C31 1.1(6) . . . . ? C39 C34 C35 C31 -179.2(6) . . . . ? C32 C31 C35 C34 -1.5(6) . . . . ? C36 C31 C35 C34 120.9(5) . . . . ? Ga2 C31 C35 C34 -117.6(4) . . . . ? C32 C31 C35 C40 -179.1(6) . . . . ? C36 C31 C35 C40 -56.7(7) . . . . ? Ga2 C31 C35 C40 64.9(6) . . . . ? Ru1 Ga3 C41 C45 173.9(2) . . . . ? Ru2 Ga3 C41 C45 -50.3(4) . . . . ? Cl2 Ga3 C41 C45 64.2(3) . . . . ? Ru1 Ga3 C41 C42 -77.8(3) . . . . ? Ru2 Ga3 C41 C42 58.0(4) . . . . ? Cl2 Ga3 C41 C42 172.5(3) . . . . ? Ru1 Ga3 C41 C46 46.0(4) . . . . ? Ru2 Ga3 C41 C46 -178.1(3) . . . . ? Cl2 Ga3 C41 C46 -63.6(3) . . . . ? C45 C41 C42 C43 5.3(5) . . . . ? C46 C41 C42 C43 135.9(5) . . . . ? Ga3 C41 C42 C43 -104.8(4) . . . . ? C45 C41 C42 C47 -170.3(5) . . . . ? C46 C41 C42 C47 -39.7(7) . . . . ? Ga3 C41 C42 C47 79.6(5) . . . . ? C41 C42 C43 C44 -2.6(6) . . . . ? C47 C42 C43 C44 172.8(5) . . . . ? C41 C42 C43 C48 179.0(5) . . . . ? C47 C42 C43 C48 -5.7(9) . . . . ? C42 C43 C44 C45 -1.5(6) . . . . ? C48 C43 C44 C45 176.9(5) . . . . ? C42 C43 C44 C49 179.4(5) . . . . ? C48 C43 C44 C49 -2.1(8) . . . . ? C43 C44 C45 C41 5.0(6) . . . . ? C49 C44 C45 C41 -176.0(5) . . . . ? C43 C44 C45 C50 -161.1(5) . . . . ? C49 C44 C45 C50 18.0(8) . . . . ? C42 C41 C45 C44 -6.3(5) . . . . ? C46 C41 C45 C44 -136.2(5) . . . . ? Ga3 C41 C45 C44 100.7(4) . . . . ? C42 C41 C45 C50 160.3(5) . . . . ? C46 C41 C45 C50 30.3(7) . . . . ? Ga3 C41 C45 C50 -92.7(5) . . . . ? Ru2 Ga4 C51 C52 172.5(4) . . . . ? Ru1 Ga4 C51 C52 -48.9(6) . . . . ? Cl1 Ga4 C51 C52 63.3(4) . . . . ? Ru2 Ga4 C51 C55 -78.7(4) . . . . ? Ru1 Ga4 C51 C55 59.9(4) . . . . ? Cl1 Ga4 C51 C55 172.1(3) . . . . ? Ru2 Ga4 C51 C56 45.3(5) . . . . ? Ru1 Ga4 C51 C56 -176.0(3) . . . . ? Cl1 Ga4 C51 C56 -63.8(4) . . . . ? C55 C51 C52 C53 -8.0(6) . . . . ? C56 C51 C52 C53 -138.9(5) . . . . ? Ga4 C51 C52 C53 99.3(5) . . . . ? C55 C51 C52 C57 162.1(5) . . . . ? C56 C51 C52 C57 31.2(8) . . . . ? Ga4 C51 C52 C57 -90.6(6) . . . . ? C51 C52 C53 C54 6.2(7) . . . . ? C57 C52 C53 C54 -163.4(6) . . . . ? C51 C52 C53 C58 -176.4(6) . . . . ? C57 C52 C53 C58 14.0(10) . . . . ? C52 C53 C54 C55 -1.7(8) . . . . ? C58 C53 C54 C55 -179.2(6) . . . . ? C52 C53 C54 C59 175.7(6) . . . . ? C58 C53 C54 C59 -1.8(11) . . . . ? C53 C54 C55 C51 -3.6(7) . . . . ? C59 C54 C55 C51 179.0(6) . . . . ? C53 C54 C55 C60 170.2(6) . . . . ? C59 C54 C55 C60 -7.2(11) . . . . ? C52 C51 C55 C54 7.1(6) . . . . ? C56 C51 C55 C54 138.1(5) . . . . ? Ga4 C51 C55 C54 -103.7(5) . . . . ? C52 C51 C55 C60 -167.1(5) . . . . ? C56 C51 C55 C60 -36.1(8) . . . . ? Ga4 C51 C55 C60 82.1(6) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 0.465 _refine_diff_density_min -1.184 _refine_diff_density_rms 0.084 loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons 1 0.209 0.512 0.493 233.3 5.1 2 0.291 0.487 0.993 233.4 5.2 3 0.709 -0.012 0.507 233.4 5.5 4 0.790 0.012 0.007 233.3 4.8 #=================================================END data_2 _database_code_depnum_ccdc_archive 'CCDC 246341' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C20 H25 Cl2 Ru2' _chemical_formula_weight 538.44 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 23.953(12) _cell_length_b 12.707(6) _cell_length_c 17.016(8) _cell_angle_alpha 90.00 _cell_angle_beta 127.090(12) _cell_angle_gamma 90.00 _cell_volume 4131(3) _cell_formula_units_Z 8 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 2147 _cell_measurement_theta_min 2.81 _cell_measurement_theta_max 25.07 _exptl_crystal_description rhombi _exptl_crystal_colour red _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.731 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2136 _exptl_absorpt_coefficient_mu 1.720 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.946 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD 1000' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 8963 _diffrn_reflns_av_R_equivalents 0.1007 _diffrn_reflns_av_sigmaI/netI 0.1423 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 2.81 _diffrn_reflns_theta_max 25.07 _reflns_number_total 3491 _reflns_number_gt 2147 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0720P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3491 _refine_ls_number_parameters 217 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1182 _refine_ls_R_factor_gt 0.0664 _refine_ls_wR_factor_ref 0.1722 _refine_ls_wR_factor_gt 0.1438 _refine_ls_goodness_of_fit_ref 0.975 _refine_ls_restrained_S_all 0.975 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.26422(5) 0.65352(6) 0.37031(6) 0.0270(3) Uani 1 1 d . . . Ru2 Ru 0.22458(5) 0.69039(6) 0.19302(6) 0.0251(3) Uani 1 1 d . . . Cl1 Cl 0.16194(16) 0.7599(2) 0.25209(19) 0.0408(8) Uani 1 1 d . . . Cl2 Cl 0.32053(16) 0.78406(19) 0.33556(19) 0.0365(7) Uani 1 1 d . . . C1 C 0.2157(8) 0.5286(10) 0.3935(10) 0.055(4) Uani 1 1 d . . . C2 C 0.2471(8) 0.5979(9) 0.4787(8) 0.046(4) Uani 1 1 d . . . H2A H 0.2165 0.6389 0.4884 0.056 Uiso 1 1 calc R . . C3 C 0.3178(8) 0.6248(10) 0.5317(8) 0.049(4) Uani 1 1 d . . . H3A H 0.3349 0.6866 0.5760 0.058 Uiso 1 1 calc R . . C4 C 0.3572(9) 0.5900(11) 0.5017(10) 0.057(4) Uani 1 1 d . . . C5 C 0.3253(12) 0.5154(12) 0.4211(13) 0.084(7) Uani 1 1 d . . . H5A H 0.3505 0.4961 0.3937 0.101 Uiso 1 1 calc R . . C6 C 0.2582(13) 0.4850(11) 0.3727(12) 0.073(6) Uani 1 1 d . . . H6A H 0.2357 0.4464 0.3098 0.088 Uiso 1 1 calc R . . C7 C 0.1405(11) 0.4989(17) 0.3378(13) 0.121(9) Uani 1 1 d . . . H7A H 0.1364 0.4393 0.3695 0.181 Uiso 1 1 calc R . . H7B H 0.1218 0.4803 0.2708 0.181 Uiso 1 1 calc R . . H7C H 0.1145 0.5580 0.3368 0.181 Uiso 1 1 calc R . . C8 C 0.4313(10) 0.6295(18) 0.5525(16) 0.104(7) Uani 1 1 d . . . H8A H 0.4420 0.6331 0.5046 0.125 Uiso 1 1 calc R . . C9 C 0.4877(15) 0.559(3) 0.643(2) 0.205(17) Uani 1 1 d . . . C10 C 0.4431(11) 0.745(2) 0.6026(14) 0.126(9) Uani 1 1 d . . . H10A H 0.4072 0.7931 0.5536 0.189 Uiso 1 1 calc R . . H10B H 0.4888 0.7718 0.6270 0.189 Uiso 1 1 calc R . . H10C H 0.4401 0.7387 0.6567 0.189 Uiso 1 1 calc R . . C11 C 0.2807(6) 0.6181(9) 0.1443(7) 0.037(3) Uani 1 1 d . . . C12 C 0.2492(7) 0.7136(10) 0.0909(8) 0.040(3) Uani 1 1 d . . . H12A H 0.2797 0.7732 0.1016 0.049 Uiso 1 1 calc R . . C13 C 0.1787(7) 0.7299(9) 0.0370(7) 0.038(3) Uani 1 1 d . . . H13A H 0.1604 0.8019 0.0129 0.046 Uiso 1 1 calc R . . C14 C 0.1351(7) 0.6551(9) 0.0407(7) 0.044(4) Uani 1 1 d . . . C15 C 0.1672(7) 0.5564(9) 0.0941(8) 0.038(3) Uani 1 1 d . . . H15A H 0.1405 0.5098 0.1071 0.046 Uiso 1 1 calc R . . C16 C 0.2388(7) 0.5397(9) 0.1461(8) 0.042(3) Uani 1 1 d . . . H16A H 0.2616 0.4809 0.1937 0.050 Uiso 1 1 calc R . . C17 C 0.3589(7) 0.6002(12) 0.2051(10) 0.063(4) Uani 1 1 d . . . H17A H 0.3698 0.5661 0.1649 0.095 Uiso 1 1 calc R . . H17B H 0.3740 0.5559 0.2611 0.095 Uiso 1 1 calc R . . H17C H 0.3830 0.6674 0.2283 0.095 Uiso 1 1 calc R . . C18 C 0.0581(8) 0.6725(12) -0.0095(9) 0.066(5) Uani 1 1 d . . . H18A H 0.0423 0.6373 0.0259 0.079 Uiso 1 1 calc R . . C19 C 0.0163(12) 0.637(3) -0.1162(16) 0.207(18) Uani 1 1 d . . . H19A H -0.0330 0.6510 -0.1493 0.311 Uiso 1 1 calc R . . H19B H 0.0233 0.5624 -0.1186 0.311 Uiso 1 1 calc R . . H19C H 0.0320 0.6755 -0.1489 0.311 Uiso 1 1 calc R . . C20 C 0.0387(15) 0.786(2) -0.0274(19) 0.177(13) Uani 1 1 d . . . H20A H 0.0630 0.8228 0.0351 0.265 Uiso 1 1 calc R . . H20B H -0.0114 0.7933 -0.0627 0.265 Uiso 1 1 calc R . . H20C H 0.0520 0.8164 -0.0663 0.265 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0417(6) 0.0156(5) 0.0205(5) 0.0019(3) 0.0171(4) 0.0022(4) Ru2 0.0374(6) 0.0148(4) 0.0189(5) 0.0001(3) 0.0147(4) 0.0004(3) Cl1 0.049(2) 0.0402(16) 0.0284(15) 0.0051(11) 0.0207(14) 0.0159(13) Cl2 0.0478(19) 0.0222(14) 0.0301(15) -0.0064(10) 0.0185(14) -0.0118(12) C1 0.057(10) 0.032(7) 0.058(9) 0.015(6) 0.025(8) -0.012(6) C2 0.076(11) 0.034(7) 0.036(7) 0.025(5) 0.037(8) 0.014(6) C3 0.066(11) 0.038(7) 0.021(6) 0.009(5) 0.016(7) -0.006(6) C4 0.076(12) 0.048(8) 0.048(8) 0.030(7) 0.038(8) 0.024(7) C5 0.16(2) 0.042(9) 0.097(14) 0.054(9) 0.104(15) 0.078(12) C6 0.136(19) 0.029(8) 0.055(10) 0.016(6) 0.057(12) 0.003(10) C7 0.119(19) 0.127(18) 0.095(15) 0.002(12) 0.054(14) -0.084(15) C8 0.045(12) 0.133(18) 0.111(16) 0.069(14) 0.035(11) 0.038(12) C9 0.10(2) 0.22(3) 0.17(3) 0.11(2) 0.013(19) 0.04(2) C10 0.079(17) 0.18(2) 0.072(14) 0.017(14) 0.021(12) -0.037(16) C11 0.035(7) 0.047(7) 0.020(6) -0.013(5) 0.012(5) 0.014(6) C12 0.045(9) 0.056(8) 0.028(6) -0.013(5) 0.026(6) -0.004(6) C13 0.064(10) 0.026(6) 0.021(6) -0.007(4) 0.024(6) -0.016(6) C14 0.052(9) 0.039(7) 0.010(5) -0.001(4) 0.002(5) 0.014(6) C15 0.049(9) 0.031(6) 0.034(7) -0.003(5) 0.025(6) 0.001(5) C16 0.071(10) 0.028(6) 0.026(6) -0.018(5) 0.029(7) -0.009(6) C17 0.043(10) 0.070(10) 0.065(10) -0.027(7) 0.026(8) 0.005(7) C18 0.066(12) 0.074(10) 0.024(7) -0.006(6) 0.009(7) 0.016(8) C19 0.054(16) 0.37(4) 0.090(16) -0.13(2) -0.013(12) 0.04(2) C20 0.12(2) 0.21(3) 0.15(3) -0.01(2) 0.05(2) 0.06(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C5 2.107(12) . ? Ru1 C1 2.140(13) . ? Ru1 C4 2.146(13) . ? Ru1 C6 2.148(14) . ? Ru1 C2 2.233(11) . ? Ru1 C3 2.252(11) . ? Ru1 Cl2 2.425(3) . ? Ru1 Cl1 2.436(3) . ? Ru1 Ru2 2.6013(17) . ? Ru2 C11 2.164(11) . ? Ru2 C12 2.165(11) . ? Ru2 C16 2.178(11) . ? Ru2 C14 2.193(11) . ? Ru2 C15 2.198(11) . ? Ru2 C13 2.234(10) . ? Ru2 Cl2 2.420(3) . ? Ru2 Cl1 2.421(3) . ? C1 C6 1.38(2) . ? C1 C2 1.460(19) . ? C1 C7 1.49(2) . ? C2 C3 1.40(2) . ? C3 C4 1.39(2) . ? C4 C5 1.45(2) . ? C4 C8 1.52(3) . ? C5 C6 1.35(2) . ? C8 C9 1.58(3) . ? C8 C10 1.63(3) . ? C11 C16 1.427(18) . ? C11 C12 1.429(17) . ? C11 C17 1.515(18) . ? C12 C13 1.367(17) . ? C13 C14 1.441(18) . ? C14 C15 1.465(15) . ? C14 C18 1.51(2) . ? C15 C16 1.391(17) . ? C18 C20 1.49(3) . ? C18 C19 1.52(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_3 _geom_angle_publ_flag C5 Ru1 C1 68.0(7) . . ? C5 Ru1 C4 39.9(6) . . ? C1 Ru1 C4 82.4(6) . . ? C5 Ru1 C6 36.9(7) . . ? C1 Ru1 C6 37.5(6) . . ? C4 Ru1 C6 69.2(7) . . ? C5 Ru1 C2 80.0(6) . . ? C1 Ru1 C2 38.9(5) . . ? C4 Ru1 C2 67.2(5) . . ? C6 Ru1 C2 67.7(6) . . ? C5 Ru1 C3 67.7(6) . . ? C1 Ru1 C3 68.2(5) . . ? C4 Ru1 C3 36.7(5) . . ? C6 Ru1 C3 79.1(5) . . ? C2 Ru1 C3 36.3(5) . . ? C5 Ru1 Cl2 108.6(6) . . ? C1 Ru1 Cl2 174.9(5) . . ? C4 Ru1 Cl2 97.5(4) . . ? C6 Ru1 Cl2 137.7(6) . . ? C2 Ru1 Cl2 145.5(4) . . ? C3 Ru1 Cl2 114.6(4) . . ? C5 Ru1 Cl1 154.7(6) . . ? C1 Ru1 Cl1 100.2(4) . . ? C4 Ru1 Cl1 164.6(4) . . ? C6 Ru1 Cl1 121.5(6) . . ? C2 Ru1 Cl1 105.3(4) . . ? C3 Ru1 Cl1 130.3(4) . . ? Cl2 Ru1 Cl1 81.33(11) . . ? C5 Ru1 Ru2 107.6(4) . . ? C1 Ru1 Ru2 119.2(4) . . ? C4 Ru1 Ru2 134.4(4) . . ? C6 Ru1 Ru2 102.7(4) . . ? C2 Ru1 Ru2 153.5(4) . . ? C3 Ru1 Ru2 169.9(4) . . ? Cl2 Ru1 Ru2 57.44(7) . . ? Cl1 Ru1 Ru2 57.34(7) . . ? C11 Ru2 C12 38.5(5) . . ? C11 Ru2 C16 38.4(5) . . ? C12 Ru2 C16 69.3(4) . . ? C11 Ru2 C14 81.4(5) . . ? C12 Ru2 C14 67.9(5) . . ? C16 Ru2 C14 69.2(5) . . ? C11 Ru2 C15 67.9(5) . . ? C12 Ru2 C15 80.7(5) . . ? C16 Ru2 C15 37.1(4) . . ? C14 Ru2 C15 39.0(4) . . ? C11 Ru2 C13 67.3(5) . . ? C12 Ru2 C13 36.2(4) . . ? C16 Ru2 C13 80.5(4) . . ? C14 Ru2 C13 38.0(5) . . ? C15 Ru2 C13 68.4(4) . . ? C11 Ru2 Cl2 99.2(3) . . ? C12 Ru2 Cl2 100.6(3) . . ? C16 Ru2 Cl2 122.4(4) . . ? C14 Ru2 Cl2 161.0(3) . . ? C15 Ru2 Cl2 157.8(3) . . ? C13 Ru2 Cl2 124.7(3) . . ? C11 Ru2 Cl1 176.1(3) . . ? C12 Ru2 Cl1 145.1(3) . . ? C16 Ru2 Cl1 138.2(4) . . ? C14 Ru2 Cl1 99.0(4) . . ? C15 Ru2 Cl1 110.1(4) . . ? C13 Ru2 Cl1 115.3(4) . . ? Cl2 Ru2 Cl1 81.73(11) . . ? C11 Ru2 Ru1 119.4(3) . . ? C12 Ru2 Ru1 150.4(4) . . ? C16 Ru2 Ru1 103.8(3) . . ? C14 Ru2 Ru1 138.3(4) . . ? C15 Ru2 Ru1 111.8(3) . . ? C13 Ru2 Ru1 173.1(4) . . ? Cl2 Ru2 Ru1 57.62(7) . . ? Cl1 Ru2 Ru1 57.89(7) . . ? Ru2 Cl1 Ru1 64.78(9) . . ? Ru2 Cl2 Ru1 64.93(8) . . ? C6 C1 C2 118.7(15) . . ? C6 C1 C7 122.1(17) . . ? C2 C1 C7 118.9(16) . . ? C6 C1 Ru1 71.6(9) . . ? C2 C1 Ru1 74.0(7) . . ? C7 C1 Ru1 130.7(11) . . ? C3 C2 C1 119.0(13) . . ? C3 C2 Ru1 72.5(7) . . ? C1 C2 Ru1 67.1(7) . . ? C4 C3 C2 120.9(13) . . ? C4 C3 Ru1 67.5(7) . . ? C2 C3 Ru1 71.1(6) . . ? C3 C4 C5 117.9(16) . . ? C3 C4 C8 120.5(16) . . ? C5 C4 C8 121.6(18) . . ? C3 C4 Ru1 75.8(8) . . ? C5 C4 Ru1 68.6(8) . . ? C8 C4 Ru1 126.3(10) . . ? C6 C5 C4 121.4(16) . . ? C6 C5 Ru1 73.2(9) . . ? C4 C5 Ru1 71.5(7) . . ? C5 C6 C1 121.4(16) . . ? C5 C6 Ru1 69.9(8) . . ? C1 C6 Ru1 70.9(8) . . ? C4 C8 C9 112.7(19) . . ? C4 C8 C10 111.6(16) . . ? C9 C8 C10 103(2) . . ? C16 C11 C12 119.9(11) . . ? C16 C11 C17 118.5(12) . . ? C12 C11 C17 121.5(13) . . ? C16 C11 Ru2 71.4(7) . . ? C12 C11 Ru2 70.8(6) . . ? C17 C11 Ru2 126.8(8) . . ? C13 C12 C11 121.4(12) . . ? C13 C12 Ru2 74.6(7) . . ? C11 C12 Ru2 70.7(7) . . ? C12 C13 C14 120.3(11) . . ? C12 C13 Ru2 69.2(6) . . ? C14 C13 Ru2 69.5(6) . . ? C13 C14 C15 118.0(12) . . ? C13 C14 C18 123.2(11) . . ? C15 C14 C18 118.8(13) . . ? C13 C14 Ru2 72.5(6) . . ? C15 C14 Ru2 70.7(6) . . ? C18 C14 Ru2 128.9(9) . . ? C16 C15 C14 120.6(12) . . ? C16 C15 Ru2 70.7(6) . . ? C14 C15 Ru2 70.3(6) . . ? C15 C16 C11 119.5(11) . . ? C15 C16 Ru2 72.2(7) . . ? C11 C16 Ru2 70.3(6) . . ? C20 C18 C14 112.4(17) . . ? C20 C18 C19 98.2(18) . . ? C14 C18 C19 109.4(15) . . ? 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 C5 Ru1 Ru2 C11 -19.3(8) . . . . ? C1 Ru1 Ru2 C11 -93.6(7) . . . . ? C4 Ru1 Ru2 C11 16.0(7) . . . . ? C6 Ru1 Ru2 C11 -57.3(8) . . . . ? C2 Ru1 Ru2 C11 -122.5(8) . . . . ? C3 Ru1 Ru2 C11 41.8(19) . . . . ? Cl2 Ru1 Ru2 C11 81.9(4) . . . . ? Cl1 Ru1 Ru2 C11 -176.8(4) . . . . ? C5 Ru1 Ru2 C12 -53.7(10) . . . . ? C1 Ru1 Ru2 C12 -128.0(9) . . . . ? C4 Ru1 Ru2 C12 -18.4(9) . . . . ? C6 Ru1 Ru2 C12 -91.7(9) . . . . ? C2 Ru1 Ru2 C12 -156.9(10) . . . . ? C3 Ru1 Ru2 C12 7(2) . . . . ? Cl2 Ru1 Ru2 C12 47.5(7) . . . . ? Cl1 Ru1 Ru2 C12 148.8(7) . . . . ? C5 Ru1 Ru2 C16 18.6(8) . . . . ? C1 Ru1 Ru2 C16 -55.6(7) . . . . ? C4 Ru1 Ru2 C16 53.9(7) . . . . ? C6 Ru1 Ru2 C16 -19.3(8) . . . . ? C2 Ru1 Ru2 C16 -84.5(8) . . . . ? C3 Ru1 Ru2 C16 79.8(19) . . . . ? Cl2 Ru1 Ru2 C16 119.8(4) . . . . ? Cl1 Ru1 Ru2 C16 -138.8(4) . . . . ? C5 Ru1 Ru2 C14 92.6(9) . . . . ? C1 Ru1 Ru2 C14 18.4(7) . . . . ? C4 Ru1 Ru2 C14 128.0(7) . . . . ? C6 Ru1 Ru2 C14 54.7(8) . . . . ? C2 Ru1 Ru2 C14 -10.5(9) . . . . ? C3 Ru1 Ru2 C14 153.8(19) . . . . ? Cl2 Ru1 Ru2 C14 -166.1(5) . . . . ? Cl1 Ru1 Ru2 C14 -64.8(5) . . . . ? C5 Ru1 Ru2 C15 56.7(8) . . . . ? C1 Ru1 Ru2 C15 -17.5(7) . . . . ? C4 Ru1 Ru2 C15 92.0(7) . . . . ? C6 Ru1 Ru2 C15 18.8(8) . . . . ? C2 Ru1 Ru2 C15 -46.4(8) . . . . ? C3 Ru1 Ru2 C15 117.9(19) . . . . ? Cl2 Ru1 Ru2 C15 157.9(4) . . . . ? Cl1 Ru1 Ru2 C15 -100.7(4) . . . . ? C5 Ru1 Ru2 C13 147(2) . . . . ? C1 Ru1 Ru2 C13 72(2) . . . . ? C4 Ru1 Ru2 C13 -178(2) . . . . ? C6 Ru1 Ru2 C13 109(2) . . . . ? C2 Ru1 Ru2 C13 44(2) . . . . ? C3 Ru1 Ru2 C13 -152(3) . . . . ? Cl2 Ru1 Ru2 C13 -112(2) . . . . ? Cl1 Ru1 Ru2 C13 -11(2) . . . . ? C5 Ru1 Ru2 Cl2 -101.2(7) . . . . ? C1 Ru1 Ru2 Cl2 -175.4(5) . . . . ? C4 Ru1 Ru2 Cl2 -65.9(6) . . . . ? C6 Ru1 Ru2 Cl2 -139.1(7) . . . . ? C2 Ru1 Ru2 Cl2 155.6(7) . . . . ? C3 Ru1 Ru2 Cl2 -40.1(19) . . . . ? Cl1 Ru1 Ru2 Cl2 101.36(13) . . . . ? C5 Ru1 Ru2 Cl1 157.4(7) . . . . ? C1 Ru1 Ru2 Cl1 83.2(5) . . . . ? C4 Ru1 Ru2 Cl1 -167.3(6) . . . . ? C6 Ru1 Ru2 Cl1 119.5(7) . . . . ? C2 Ru1 Ru2 Cl1 54.3(7) . . . . ? C3 Ru1 Ru2 Cl1 -141.4(19) . . . . ? Cl2 Ru1 Ru2 Cl1 -101.36(13) . . . . ? C11 Ru2 Cl1 Ru1 47(5) . . . . ? C12 Ru2 Cl1 Ru1 -153.5(6) . . . . ? C16 Ru2 Cl1 Ru1 73.7(5) . . . . ? C14 Ru2 Cl1 Ru1 142.5(3) . . . . ? C15 Ru2 Cl1 Ru1 103.7(3) . . . . ? C13 Ru2 Cl1 Ru1 178.6(3) . . . . ? Cl2 Ru2 Cl1 Ru1 -56.79(8) . . . . ? C5 Ru1 Cl1 Ru2 -59.0(12) . . . . ? C1 Ru1 Cl1 Ru2 -118.3(5) . . . . ? C4 Ru1 Cl1 Ru2 143.5(16) . . . . ? C6 Ru1 Cl1 Ru2 -85.0(6) . . . . ? C2 Ru1 Cl1 Ru2 -157.9(4) . . . . ? C3 Ru1 Cl1 Ru2 171.8(5) . . . . ? Cl2 Ru1 Cl1 Ru2 56.71(8) . . . . ? C11 Ru2 Cl2 Ru1 -119.2(3) . . . . ? C12 Ru2 Cl2 Ru1 -158.3(3) . . . . ? C16 Ru2 Cl2 Ru1 -86.1(4) . . . . ? C14 Ru2 Cl2 Ru1 150.8(11) . . . . ? C15 Ru2 Cl2 Ru1 -67.1(9) . . . . ? C13 Ru2 Cl2 Ru1 172.2(4) . . . . ? Cl1 Ru2 Cl2 Ru1 57.05(8) . . . . ? C5 Ru1 Cl2 Ru2 99.5(6) . . . . ? C1 Ru1 Cl2 Ru2 51(4) . . . . ? C4 Ru1 Cl2 Ru2 138.9(4) . . . . ? C6 Ru1 Cl2 Ru2 71.6(8) . . . . ? C2 Ru1 Cl2 Ru2 -161.0(6) . . . . ? C3 Ru1 Cl2 Ru2 172.9(4) . . . . ? Cl1 Ru1 Cl2 Ru2 -56.61(8) . . . . ? C5 Ru1 C1 C6 -27.0(10) . . . . ? C4 Ru1 C1 C6 -65.6(10) . . . . ? C2 Ru1 C1 C6 -128.5(13) . . . . ? C3 Ru1 C1 C6 -100.8(11) . . . . ? Cl2 Ru1 C1 C6 23(5) . . . . ? Cl1 Ru1 C1 C6 129.7(10) . . . . ? Ru2 Ru1 C1 C6 71.6(10) . . . . ? C5 Ru1 C1 C2 101.6(9) . . . . ? C4 Ru1 C1 C2 62.9(8) . . . . ? C6 Ru1 C1 C2 128.5(13) . . . . ? C3 Ru1 C1 C2 27.7(8) . . . . ? Cl2 Ru1 C1 C2 152(4) . . . . ? Cl1 Ru1 C1 C2 -101.8(8) . . . . ? Ru2 Ru1 C1 C2 -159.9(6) . . . . ? C5 Ru1 C1 C7 -144(2) . . . . ? C4 Ru1 C1 C7 177.6(19) . . . . ? C6 Ru1 C1 C7 -117(2) . . . . ? C2 Ru1 C1 C7 115(2) . . . . ? C3 Ru1 C1 C7 142(2) . . . . ? Cl2 Ru1 C1 C7 -94(5) . . . . ? Cl1 Ru1 C1 C7 12.9(18) . . . . ? Ru2 Ru1 C1 C7 -45.2(19) . . . . ? C6 C1 C2 C3 5.2(16) . . . . ? C7 C1 C2 C3 179.3(12) . . . . ? Ru1 C1 C2 C3 -52.7(9) . . . . ? C6 C1 C2 Ru1 57.8(10) . . . . ? C7 C1 C2 Ru1 -128.1(13) . . . . ? C5 Ru1 C2 C3 65.9(10) . . . . ? C1 Ru1 C2 C3 133.2(12) . . . . ? C4 Ru1 C2 C3 26.3(8) . . . . ? C6 Ru1 C2 C3 102.2(10) . . . . ? Cl2 Ru1 C2 C3 -42.5(11) . . . . ? Cl1 Ru1 C2 C3 -139.5(7) . . . . ? Ru2 Ru1 C2 C3 175.4(6) . . . . ? C5 Ru1 C2 C1 -67.3(10) . . . . ? C4 Ru1 C2 C1 -106.9(9) . . . . ? C6 Ru1 C2 C1 -31.0(9) . . . . ? C3 Ru1 C2 C1 -133.2(12) . . . . ? Cl2 Ru1 C2 C1 -175.7(7) . . . . ? Cl1 Ru1 C2 C1 87.3(8) . . . . ? Ru2 Ru1 C2 C1 42.2(12) . . . . ? C1 C2 C3 C4 2.7(16) . . . . ? Ru1 C2 C3 C4 -47.5(10) . . . . ? C1 C2 C3 Ru1 50.1(9) . . . . ? C5 Ru1 C3 C4 33.0(10) . . . . ? C1 Ru1 C3 C4 107.3(10) . . . . ? C6 Ru1 C3 C4 69.8(10) . . . . ? C2 Ru1 C3 C4 136.8(12) . . . . ? Cl2 Ru1 C3 C4 -68.0(9) . . . . ? Cl1 Ru1 C3 C4 -167.9(7) . . . . ? Ru2 Ru1 C3 C4 -31(2) . . . . ? C5 Ru1 C3 C2 -103.8(10) . . . . ? C1 Ru1 C3 C2 -29.6(8) . . . . ? C4 Ru1 C3 C2 -136.8(12) . . . . ? C6 Ru1 C3 C2 -67.1(10) . . . . ? Cl2 Ru1 C3 C2 155.1(6) . . . . ? Cl1 Ru1 C3 C2 55.3(8) . . . . ? Ru2 Ru1 C3 C2 -168.2(15) . . . . ? C2 C3 C4 C5 -7.0(16) . . . . ? Ru1 C3 C4 C5 -56.0(9) . . . . ? C2 C3 C4 C8 173.0(11) . . . . ? Ru1 C3 C4 C8 124.0(12) . . . . ? C2 C3 C4 Ru1 49.0(10) . . . . ? C5 Ru1 C4 C3 -128.1(14) . . . . ? C1 Ru1 C4 C3 -63.4(9) . . . . ? C6 Ru1 C4 C3 -99.8(10) . . . . ? C2 Ru1 C4 C3 -26.1(8) . . . . ? Cl2 Ru1 C4 C3 121.8(8) . . . . ? Cl1 Ru1 C4 C3 37(2) . . . . ? Ru2 Ru1 C4 C3 172.7(6) . . . . ? C1 Ru1 C4 C5 64.7(10) . . . . ? C6 Ru1 C4 C5 28.3(10) . . . . ? C2 Ru1 C4 C5 102.0(11) . . . . ? C3 Ru1 C4 C5 128.1(14) . . . . ? Cl2 Ru1 C4 C5 -110.1(10) . . . . ? Cl1 Ru1 C4 C5 165.2(14) . . . . ? Ru2 Ru1 C4 C5 -59.2(12) . . . . ? C5 Ru1 C4 C8 114(2) . . . . ? C1 Ru1 C4 C8 178.9(18) . . . . ? C6 Ru1 C4 C8 142.6(19) . . . . ? C2 Ru1 C4 C8 -143.7(18) . . . . ? C3 Ru1 C4 C8 -118(2) . . . . ? Cl2 Ru1 C4 C8 4.1(17) . . . . ? Cl1 Ru1 C4 C8 -81(2) . . . . ? Ru2 Ru1 C4 C8 55.0(18) . . . . ? C3 C4 C5 C6 3.7(19) . . . . ? C8 C4 C5 C6 -176.2(13) . . . . ? Ru1 C4 C5 C6 -55.9(12) . . . . ? C3 C4 C5 Ru1 59.6(10) . . . . ? C8 C4 C5 Ru1 -120.4(12) . . . . ? C1 Ru1 C5 C6 27.4(10) . . . . ? C4 Ru1 C5 C6 132.4(15) . . . . ? C2 Ru1 C5 C6 66.1(10) . . . . ? C3 Ru1 C5 C6 101.8(11) . . . . ? Cl2 Ru1 C5 C6 -148.5(9) . . . . ? Cl1 Ru1 C5 C6 -38.5(17) . . . . ? Ru2 Ru1 C5 C6 -87.7(10) . . . . ? C1 Ru1 C5 C4 -105.0(10) . . . . ? C6 Ru1 C5 C4 -132.4(15) . . . . ? C2 Ru1 C5 C4 -66.3(9) . . . . ? C3 Ru1 C5 C4 -30.6(9) . . . . ? Cl2 Ru1 C5 C4 79.1(9) . . . . ? Cl1 Ru1 C5 C4 -170.9(8) . . . . ? Ru2 Ru1 C5 C4 139.9(8) . . . . ? C4 C5 C6 C1 4(2) . . . . ? Ru1 C5 C6 C1 -50.9(12) . . . . ? C4 C5 C6 Ru1 55.1(11) . . . . ? C2 C1 C6 C5 -8.6(19) . . . . ? C7 C1 C6 C5 177.5(14) . . . . ? Ru1 C1 C6 C5 50.5(12) . . . . ? C2 C1 C6 Ru1 -59.1(10) . . . . ? C7 C1 C6 Ru1 127.0(13) . . . . ? C1 Ru1 C6 C5 -135.5(15) . . . . ? C4 Ru1 C6 C5 -30.4(10) . . . . ? C2 Ru1 C6 C5 -103.4(11) . . . . ? C3 Ru1 C6 C5 -67.3(10) . . . . ? Cl2 Ru1 C6 C5 47.5(12) . . . . ? Cl1 Ru1 C6 C5 161.8(8) . . . . ? Ru2 Ru1 C6 C5 102.6(9) . . . . ? C5 Ru1 C6 C1 135.5(15) . . . . ? C4 Ru1 C6 C1 105.1(10) . . . . ? C2 Ru1 C6 C1 32.1(9) . . . . ? C3 Ru1 C6 C1 68.2(10) . . . . ? Cl2 Ru1 C6 C1 -177.0(6) . . . . ? Cl1 Ru1 C6 C1 -62.6(10) . . . . ? Ru2 Ru1 C6 C1 -121.9(9) . . . . ? C3 C4 C8 C9 90(2) . . . . ? C5 C4 C8 C9 -90(3) . . . . ? Ru1 C4 C8 C9 -176.0(19) . . . . ? C3 C4 C8 C10 -25.5(19) . . . . ? C5 C4 C8 C10 154.5(14) . . . . ? Ru1 C4 C8 C10 69(2) . . . . ? C12 Ru2 C11 C16 -132.4(10) . . . . ? C14 Ru2 C11 C16 -67.2(7) . . . . ? C15 Ru2 C11 C16 -29.1(6) . . . . ? C13 Ru2 C11 C16 -104.0(7) . . . . ? Cl2 Ru2 C11 C16 132.1(6) . . . . ? Cl1 Ru2 C11 C16 29(5) . . . . ? Ru1 Ru2 C11 C16 74.2(7) . . . . ? C16 Ru2 C11 C12 132.4(10) . . . . ? C14 Ru2 C11 C12 65.2(7) . . . . ? C15 Ru2 C11 C12 103.3(8) . . . . ? C13 Ru2 C11 C12 28.4(7) . . . . ? Cl2 Ru2 C11 C12 -95.5(7) . . . . ? Cl1 Ru2 C11 C12 161(4) . . . . ? Ru1 Ru2 C11 C12 -153.4(6) . . . . ? C12 Ru2 C11 C17 115.5(15) . . . . ? C16 Ru2 C11 C17 -112.1(15) . . . . ? C14 Ru2 C11 C17 -179.3(13) . . . . ? C15 Ru2 C11 C17 -141.2(13) . . . . ? C13 Ru2 C11 C17 143.9(13) . . . . ? Cl2 Ru2 C11 C17 20.0(12) . . . . ? Cl1 Ru2 C11 C17 -83(5) . . . . ? Ru1 Ru2 C11 C17 -37.9(13) . . . . ? C16 C11 C12 C13 -3.3(15) . . . . ? C17 C11 C12 C13 -179.2(10) . . . . ? Ru2 C11 C12 C13 -57.2(9) . . . . ? C16 C11 C12 Ru2 53.8(8) . . . . ? C17 C11 C12 Ru2 -122.1(10) . . . . ? C11 Ru2 C12 C13 131.9(11) . . . . ? C16 Ru2 C12 C13 102.6(8) . . . . ? C14 Ru2 C12 C13 27.5(6) . . . . ? C15 Ru2 C12 C13 65.9(7) . . . . ? Cl2 Ru2 C12 C13 -136.6(6) . . . . ? Cl1 Ru2 C12 C13 -45.9(10) . . . . ? Ru1 Ru2 C12 C13 -175.9(5) . . . . ? C16 Ru2 C12 C11 -29.3(7) . . . . ? C14 Ru2 C12 C11 -104.4(8) . . . . ? C15 Ru2 C12 C11 -66.0(7) . . . . ? C13 Ru2 C12 C11 -131.9(11) . . . . ? Cl2 Ru2 C12 C11 91.4(7) . . . . ? Cl1 Ru2 C12 C11 -177.9(5) . . . . ? Ru1 Ru2 C12 C11 52.2(10) . . . . ? C11 C12 C13 C14 6.3(16) . . . . ? Ru2 C12 C13 C14 -49.0(9) . . . . ? C11 C12 C13 Ru2 55.3(9) . . . . ? C11 Ru2 C13 C12 -30.2(7) . . . . ? C16 Ru2 C13 C12 -67.8(8) . . . . ? C14 Ru2 C13 C12 -135.9(11) . . . . ? C15 Ru2 C13 C12 -104.3(8) . . . . ? Cl2 Ru2 C13 C12 55.2(8) . . . . ? Cl1 Ru2 C13 C12 153.0(6) . . . . ? Ru1 Ru2 C13 C12 163(2) . . . . ? C11 Ru2 C13 C14 105.8(8) . . . . ? C12 Ru2 C13 C14 135.9(11) . . . . ? C16 Ru2 C13 C14 68.1(8) . . . . ? C15 Ru2 C13 C14 31.6(7) . . . . ? Cl2 Ru2 C13 C14 -168.8(6) . . . . ? Cl1 Ru2 C13 C14 -71.1(7) . . . . ? Ru1 Ru2 C13 C14 -61(2) . . . . ? C12 C13 C14 C15 -7.1(15) . . . . ? Ru2 C13 C14 C15 -56.0(8) . . . . ? C12 C13 C14 C18 174.4(10) . . . . ? Ru2 C13 C14 C18 125.5(11) . . . . ? C12 C13 C14 Ru2 48.9(9) . . . . ? C11 Ru2 C14 C13 -63.9(8) . . . . ? C12 Ru2 C14 C13 -26.3(7) . . . . ? C16 Ru2 C14 C13 -101.6(8) . . . . ? C15 Ru2 C14 C13 -129.2(11) . . . . ? Cl2 Ru2 C14 C13 29.2(16) . . . . ? Cl1 Ru2 C14 C13 120.0(7) . . . . ? Ru1 Ru2 C14 C13 170.9(6) . . . . ? C11 Ru2 C14 C15 65.3(8) . . . . ? C12 Ru2 C14 C15 102.9(8) . . . . ? C16 Ru2 C14 C15 27.5(7) . . . . ? C13 Ru2 C14 C15 129.2(11) . . . . ? Cl2 Ru2 C14 C15 158.3(9) . . . . ? Cl1 Ru2 C14 C15 -110.9(7) . . . . ? Ru1 Ru2 C14 C15 -60.0(9) . . . . ? C11 Ru2 C14 C18 177.1(13) . . . . ? C12 Ru2 C14 C18 -145.3(13) . . . . ? C16 Ru2 C14 C18 139.4(13) . . . . ? C15 Ru2 C14 C18 111.9(15) . . . . ? C13 Ru2 C14 C18 -119.0(14) . . . . ? Cl2 Ru2 C14 C18 -89.8(18) . . . . ? Cl1 Ru2 C14 C18 1.0(12) . . . . ? Ru1 Ru2 C14 C18 51.9(13) . . . . ? C13 C14 C15 C16 5.1(15) . . . . ? C18 C14 C15 C16 -176.3(10) . . . . ? Ru2 C14 C15 C16 -51.8(9) . . . . ? C13 C14 C15 Ru2 56.9(8) . . . . ? C18 C14 C15 Ru2 -124.5(10) . . . . ? C11 Ru2 C15 C16 30.0(7) . . . . ? C12 Ru2 C15 C16 68.0(7) . . . . ? C14 Ru2 C15 C16 134.3(11) . . . . ? C13 Ru2 C15 C16 103.4(8) . . . . ? Cl2 Ru2 C15 C16 -27.2(13) . . . . ? Cl1 Ru2 C15 C16 -146.5(6) . . . . ? Ru1 Ru2 C15 C16 -84.1(7) . . . . ? C11 Ru2 C15 C14 -104.2(8) . . . . ? C12 Ru2 C15 C14 -66.3(8) . . . . ? C16 Ru2 C15 C14 -134.3(11) . . . . ? C13 Ru2 C15 C14 -30.9(8) . . . . ? Cl2 Ru2 C15 C14 -161.4(8) . . . . ? Cl1 Ru2 C15 C14 79.3(8) . . . . ? Ru1 Ru2 C15 C14 141.7(7) . . . . ? C14 C15 C16 C11 -2.3(15) . . . . ? Ru2 C15 C16 C11 -53.9(8) . . . . ? C14 C15 C16 Ru2 51.6(9) . . . . ? C12 C11 C16 C15 1.3(14) . . . . ? C17 C11 C16 C15 177.3(10) . . . . ? Ru2 C11 C16 C15 54.8(9) . . . . ? C12 C11 C16 Ru2 -53.5(8) . . . . ? C17 C11 C16 Ru2 122.5(10) . . . . ? C11 Ru2 C16 C15 -131.7(10) . . . . ? C12 Ru2 C16 C15 -102.2(8) . . . . ? C14 Ru2 C16 C15 -28.8(7) . . . . ? C13 Ru2 C16 C15 -66.5(7) . . . . ? Cl2 Ru2 C16 C15 168.2(6) . . . . ? Cl1 Ru2 C16 C15 51.2(9) . . . . ? Ru1 Ru2 C16 C15 108.0(6) . . . . ? C12 Ru2 C16 C11 29.5(7) . . . . ? C14 Ru2 C16 C11 102.8(7) . . . . ? C15 Ru2 C16 C11 131.7(10) . . . . ? C13 Ru2 C16 C11 65.2(7) . . . . ? Cl2 Ru2 C16 C11 -60.2(7) . . . . ? Cl1 Ru2 C16 C11 -177.2(5) . . . . ? Ru1 Ru2 C16 C11 -120.3(6) . . . . ? C13 C14 C18 C20 -23(2) . . . . ? C15 C14 C18 C20 158.6(15) . . . . ? Ru2 C14 C18 C20 71.0(19) . . . . ? C13 C14 C18 C19 85(2) . . . . ? C15 C14 C18 C19 -93(2) . . . . ? Ru2 C14 C18 C19 179.0(18) . . . . ? _diffrn_measured_fraction_theta_max 0.954 _diffrn_reflns_theta_full 25.07 _diffrn_measured_fraction_theta_full 0.954 _refine_diff_density_max 1.398 _refine_diff_density_min -1.170 _refine_diff_density_rms 0.187 #=================================================END data_4 _database_code_depnum_ccdc_archive 'CCDC 246342' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H44 Cl3 Ga3 Ru' _chemical_formula_weight 821.23 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 10.811(3) _cell_length_b 16.953(4) _cell_length_c 18.526(4) _cell_angle_alpha 90.00 _cell_angle_beta 99.328(5) _cell_angle_gamma 90.00 _cell_volume 3350.4(14) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 4756 _cell_measurement_theta_min 2.95 _cell_measurement_theta_max 25.08 _exptl_crystal_description prisms _exptl_crystal_colour yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.628 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1648 _exptl_absorpt_coefficient_mu 3.086 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.347 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD 1000' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 18261 _diffrn_reflns_av_R_equivalents 0.0428 _diffrn_reflns_av_sigmaI/netI 0.0450 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.95 _diffrn_reflns_theta_max 25.08 _reflns_number_total 5822 _reflns_number_gt 4756 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0307P)^2^+4.2598P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5822 _refine_ls_number_parameters 334 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0442 _refine_ls_R_factor_gt 0.0323 _refine_ls_wR_factor_ref 0.0829 _refine_ls_wR_factor_gt 0.0763 _refine_ls_goodness_of_fit_ref 1.017 _refine_ls_restrained_S_all 1.017 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.61960(2) 0.009019(16) 0.206217(15) 0.02160(9) Uani 1 1 d . . . Ga1 Ga 0.73974(4) 0.00680(3) 0.32530(2) 0.03190(12) Uani 1 1 d . . . Ga2 Ga 0.74064(4) 0.11897(3) 0.18090(3) 0.03541(12) Uani 1 1 d . . . Ga3 Ga 0.50901(4) 0.11313(2) 0.26355(2) 0.02894(12) Uani 1 1 d . . . Cl1 Cl 0.62268(11) 0.20594(6) 0.33342(6) 0.0466(3) Uani 1 1 d . . . Cl2 Cl 0.37579(12) 0.07203(9) 0.33765(7) 0.0622(4) Uani 1 1 d . . . Cl3 Cl 0.38526(10) 0.19211(7) 0.18297(7) 0.0513(3) Uani 1 1 d . . . C1 C 0.8745(4) 0.0463(3) 0.4224(2) 0.0398(10) Uani 1 1 d . . . C2 C 0.9309(4) -0.0193(3) 0.3922(2) 0.0396(10) Uani 1 1 d . . . C3 C 0.8560(4) -0.0864(2) 0.3977(2) 0.0335(9) Uani 1 1 d . . . C4 C 0.7525(4) -0.0635(2) 0.4309(2) 0.0326(9) Uani 1 1 d . . . C5 C 0.7634(4) 0.0188(2) 0.4466(2) 0.0352(9) Uani 1 1 d . . . C6 C 0.9274(5) 0.1285(3) 0.4333(3) 0.0638(15) Uani 1 1 d . . . H6A H 0.9838 0.1313 0.4796 0.096 Uiso 1 1 calc R . . H6B H 0.8595 0.1659 0.4334 0.096 Uiso 1 1 calc R . . H6C H 0.9730 0.1412 0.3938 0.096 Uiso 1 1 calc R . . C7 C 1.0536(4) -0.0182(4) 0.3622(3) 0.0683(16) Uani 1 1 d . . . H7A H 1.1220 -0.0312 0.4010 0.102 Uiso 1 1 calc R . . H7B H 1.0670 0.0340 0.3434 0.102 Uiso 1 1 calc R . . H7C H 1.0500 -0.0565 0.3231 0.102 Uiso 1 1 calc R . . C8 C 0.8822(5) -0.1693(3) 0.3742(3) 0.0554(13) Uani 1 1 d . . . H8A H 0.9335 -0.1966 0.4143 0.083 Uiso 1 1 calc R . . H8B H 0.9263 -0.1671 0.3326 0.083 Uiso 1 1 calc R . . H8C H 0.8037 -0.1973 0.3605 0.083 Uiso 1 1 calc R . . C9 C 0.6494(5) -0.1155(3) 0.4490(3) 0.0516(12) Uani 1 1 d . . . H9A H 0.6753 -0.1394 0.4967 0.077 Uiso 1 1 calc R . . H9B H 0.6318 -0.1566 0.4123 0.077 Uiso 1 1 calc R . . H9C H 0.5745 -0.0842 0.4498 0.077 Uiso 1 1 calc R . . C10 C 0.6762(5) 0.0648(3) 0.4864(3) 0.0541(13) Uani 1 1 d . . . H10A H 0.7056 0.0620 0.5387 0.081 Uiso 1 1 calc R . . H10B H 0.5925 0.0427 0.4754 0.081 Uiso 1 1 calc R . . H10C H 0.6744 0.1195 0.4708 0.081 Uiso 1 1 calc R . . C11 C 0.9230(6) 0.1657(4) 0.1544(7) 0.123(4) Uani 1 1 d . . . C12 C 0.8626(5) 0.2229(3) 0.1915(3) 0.0576(14) Uani 1 1 d . . . C13 C 0.7527(4) 0.2432(2) 0.1426(2) 0.0351(9) Uani 1 1 d . . . C14 C 0.7501(7) 0.1970(3) 0.0796(3) 0.075(2) Uani 1 1 d . . . C15 C 0.8565(13) 0.1505(5) 0.0887(7) 0.150(6) Uani 1 1 d . . . C16 C 1.0515(7) 0.1322(7) 0.1925(10) 0.292(12) Uani 1 1 d . . . H16A H 1.1190 0.1594 0.1743 0.437 Uiso 1 1 calc R . . H16B H 1.0557 0.0763 0.1820 0.437 Uiso 1 1 calc R . . H16C H 1.0596 0.1399 0.2450 0.437 Uiso 1 1 calc R . . C17 C 0.9067(9) 0.2641(5) 0.2632(4) 0.158(5) Uani 1 1 d . . . H17A H 0.9603 0.3081 0.2553 0.237 Uiso 1 1 calc R . . H17B H 0.9535 0.2273 0.2974 0.237 Uiso 1 1 calc R . . H17C H 0.8349 0.2835 0.2832 0.237 Uiso 1 1 calc R . . C18 C 0.6623(6) 0.3064(3) 0.1544(4) 0.091(2) Uani 1 1 d . . . H18A H 0.6863 0.3554 0.1335 0.137 Uiso 1 1 calc R . . H18B H 0.6632 0.3133 0.2065 0.137 Uiso 1 1 calc R . . H18C H 0.5788 0.2916 0.1310 0.137 Uiso 1 1 calc R . . C19 C 0.6437(12) 0.2000(5) 0.0154(4) 0.212(7) Uani 1 1 d . . . H19A H 0.6658 0.2354 -0.0216 0.317 Uiso 1 1 calc R . . H19B H 0.5684 0.2191 0.0319 0.317 Uiso 1 1 calc R . . H19C H 0.6288 0.1476 -0.0051 0.317 Uiso 1 1 calc R . . C20 C 0.889(2) 0.0957(5) 0.0304(9) 0.346(14) Uani 1 1 d . . . H20A H 0.9364 0.1244 -0.0014 0.519 Uiso 1 1 calc R . . H20B H 0.8130 0.0750 0.0019 0.519 Uiso 1 1 calc R . . H20C H 0.9398 0.0524 0.0534 0.519 Uiso 1 1 calc R . . C21 C 0.4267(4) -0.0339(3) 0.1553(3) 0.0490(12) Uani 1 1 d . . . C22 C 0.4823(5) -0.0882(3) 0.2063(3) 0.0577(14) Uani 1 1 d . . . H22A H 0.4447 -0.0970 0.2509 0.069 Uiso 1 1 calc R . . C23 C 0.5972(5) -0.1219(3) 0.2022(3) 0.0528(13) Uani 1 1 d . . . H23A H 0.6387 -0.1533 0.2443 0.063 Uiso 1 1 calc R . . C24 C 0.6640(4) -0.1038(3) 0.1475(3) 0.0479(12) Uani 1 1 d . . . C25 C 0.6153(4) -0.0436(3) 0.0967(2) 0.0473(11) Uani 1 1 d . . . H25A H 0.6683 -0.0214 0.0628 0.057 Uiso 1 1 calc R . . C26 C 0.4954(4) -0.0088(3) 0.1010(2) 0.0424(11) Uani 1 1 d . . . H26A H 0.4661 0.0372 0.0701 0.051 Uiso 1 1 calc R . . C27 C 0.2943(4) -0.0046(4) 0.1552(4) 0.094(2) Uani 1 1 d . . . H27A H 0.2355 -0.0401 0.1264 0.141 Uiso 1 1 calc R . . H27B H 0.2854 0.0478 0.1342 0.141 Uiso 1 1 calc R . . H27C H 0.2773 -0.0030 0.2050 0.141 Uiso 1 1 calc R . . C28 C 0.7818(5) -0.1505(3) 0.1399(3) 0.0648(15) Uani 1 1 d . . . H28A H 0.8139 -0.1739 0.1883 0.078 Uiso 1 1 calc R . . C29 C 0.7475(7) -0.2180(4) 0.0867(5) 0.123(3) Uani 1 1 d . . . H29A H 0.8220 -0.2485 0.0827 0.184 Uiso 1 1 calc R . . H29B H 0.7124 -0.1970 0.0390 0.184 Uiso 1 1 calc R . . H29C H 0.6862 -0.2517 0.1043 0.184 Uiso 1 1 calc R . . C30 C 0.8850(6) -0.1014(4) 0.1183(5) 0.097(2) Uani 1 1 d . . . H30A H 0.9573 -0.1344 0.1155 0.146 Uiso 1 1 calc R . . H30B H 0.9079 -0.0602 0.1544 0.146 Uiso 1 1 calc R . . H30C H 0.8565 -0.0775 0.0709 0.146 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.02314(15) 0.02217(16) 0.01833(16) 0.00140(11) -0.00013(11) -0.00058(11) Ga1 0.0319(2) 0.0408(3) 0.0204(2) 0.00036(18) -0.00364(17) 0.00517(18) Ga2 0.0376(2) 0.0283(2) 0.0437(3) 0.00472(19) 0.0164(2) -0.00391(19) Ga3 0.0276(2) 0.0324(2) 0.0276(2) 0.00251(17) 0.00695(16) 0.00552(17) Cl1 0.0635(7) 0.0358(6) 0.0382(6) -0.0082(4) 0.0015(5) 0.0040(5) Cl2 0.0522(7) 0.0889(10) 0.0530(8) 0.0105(7) 0.0310(6) -0.0012(7) Cl3 0.0432(6) 0.0512(7) 0.0561(7) 0.0129(6) -0.0021(5) 0.0169(5) C1 0.045(2) 0.044(2) 0.023(2) 0.0043(18) -0.0141(17) -0.006(2) C2 0.029(2) 0.058(3) 0.028(2) 0.003(2) -0.0063(16) 0.006(2) C3 0.036(2) 0.036(2) 0.025(2) -0.0002(17) -0.0064(16) 0.0085(17) C4 0.039(2) 0.035(2) 0.020(2) 0.0052(16) -0.0055(16) 0.0055(18) C5 0.047(2) 0.038(2) 0.0173(19) 0.0001(16) -0.0047(16) 0.0090(19) C6 0.084(4) 0.050(3) 0.046(3) 0.005(2) -0.026(3) -0.018(3) C7 0.031(2) 0.104(5) 0.069(4) 0.011(3) 0.003(2) 0.004(3) C8 0.058(3) 0.055(3) 0.048(3) -0.012(2) -0.010(2) 0.024(2) C9 0.060(3) 0.050(3) 0.046(3) 0.009(2) 0.012(2) -0.001(2) C10 0.078(3) 0.052(3) 0.033(3) -0.003(2) 0.010(2) 0.022(3) C11 0.053(4) 0.052(5) 0.288(13) 0.079(7) 0.103(6) 0.023(3) C12 0.049(3) 0.052(3) 0.067(3) 0.024(3) -0.004(2) -0.027(2) C13 0.041(2) 0.027(2) 0.040(2) 0.0070(18) 0.0137(18) -0.0037(17) C14 0.149(6) 0.050(3) 0.029(3) 0.003(2) 0.023(3) -0.051(4) C15 0.264(14) 0.036(4) 0.208(11) -0.005(6) 0.214(11) -0.019(6) C16 0.045(4) 0.189(11) 0.66(3) 0.273(16) 0.119(9) 0.047(5) C17 0.209(9) 0.167(8) 0.071(5) 0.047(5) -0.060(5) -0.158(8) C18 0.089(4) 0.046(3) 0.157(7) 0.041(4) 0.072(5) 0.025(3) C19 0.391(17) 0.152(8) 0.051(5) 0.055(5) -0.089(7) -0.184(10) C20 0.71(3) 0.069(6) 0.39(2) -0.045(9) 0.51(2) -0.052(11) C21 0.034(2) 0.054(3) 0.056(3) -0.021(2) -0.005(2) -0.008(2) C22 0.062(3) 0.044(3) 0.065(3) -0.004(3) 0.004(3) -0.032(3) C23 0.070(3) 0.030(2) 0.052(3) 0.003(2) -0.007(3) -0.010(2) C24 0.045(2) 0.033(2) 0.057(3) -0.026(2) -0.017(2) 0.010(2) C25 0.057(3) 0.057(3) 0.028(2) -0.017(2) 0.005(2) -0.014(2) C26 0.049(3) 0.041(2) 0.029(2) -0.0046(18) -0.0175(19) 0.004(2) C27 0.024(2) 0.117(6) 0.138(7) -0.053(5) 0.002(3) -0.011(3) C28 0.069(3) 0.055(3) 0.066(4) -0.013(3) -0.001(3) 0.020(3) C29 0.106(6) 0.096(5) 0.157(8) -0.083(5) -0.008(5) 0.042(4) C30 0.073(4) 0.081(5) 0.147(7) 0.004(5) 0.050(4) 0.024(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C26 2.201(4) . ? Ru1 C25 2.210(4) . ? Ru1 C22 2.218(4) . ? Ru1 C23 2.232(4) . ? Ru1 C21 2.264(4) . ? Ru1 C24 2.290(4) . ? Ru1 Ga2 2.3677(6) . ? Ru1 Ga1 2.3721(7) . ? Ru1 Ga3 2.4667(6) . ? Ga1 C1 2.227(4) . ? Ga1 C5 2.230(4) . ? Ga1 C2 2.274(4) . ? Ga1 C4 2.277(4) . ? Ga1 C3 2.308(4) . ? Ga2 C12 2.190(4) . ? Ga2 C13 2.232(4) . ? Ga2 C11 2.252(6) . ? Ga2 C14 2.311(5) . ? Ga2 C15 2.338(6) . ? Ga3 Cl2 2.2550(12) . ? Ga3 Cl1 2.2683(12) . ? Ga3 Cl3 2.2724(11) . ? C1 C2 1.427(6) . ? C1 C5 1.427(6) . ? C1 C6 1.507(6) . ? C2 C3 1.410(6) . ? C2 C7 1.518(6) . ? C3 C4 1.417(6) . ? C3 C8 1.511(6) . ? C4 C5 1.427(6) . ? C4 C9 1.501(6) . ? C5 C10 1.505(6) . ? C11 C15 1.335(14) . ? C11 C12 1.409(10) . ? C11 C16 1.560(11) . ? C12 C13 1.414(6) . ? C12 C17 1.509(9) . ? C13 C14 1.402(7) . ? C13 C18 1.490(6) . ? C14 C15 1.383(13) . ? C14 C19 1.515(10) . ? C15 C20 1.509(10) . ? C21 C22 1.383(7) . ? C21 C26 1.409(7) . ? C21 C27 1.515(7) . ? C22 C23 1.381(7) . ? C23 C24 1.371(7) . ? C24 C25 1.431(7) . ? C24 C28 1.526(7) . ? C25 C26 1.438(6) . ? C28 C30 1.498(8) . ? C28 C29 1.517(8) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C26 Ru1 C25 38.06(17) . . ? C26 Ru1 C22 65.53(19) . . ? C25 Ru1 C22 77.65(19) . . ? C26 Ru1 C23 77.68(17) . . ? C25 Ru1 C23 65.32(19) . . ? C22 Ru1 C23 36.15(19) . . ? C26 Ru1 C21 36.75(18) . . ? C25 Ru1 C21 66.88(17) . . ? C22 Ru1 C21 35.93(19) . . ? C23 Ru1 C21 65.12(19) . . ? C26 Ru1 C24 67.00(16) . . ? C25 Ru1 C24 37.02(18) . . ? C22 Ru1 C24 64.6(2) . . ? C23 Ru1 C24 35.26(18) . . ? C21 Ru1 C24 77.49(16) . . ? C26 Ru1 Ga2 102.15(13) . . ? C25 Ru1 Ga2 93.78(13) . . ? C22 Ru1 Ga2 167.53(15) . . ? C23 Ru1 Ga2 146.77(15) . . ? C21 Ru1 Ga2 132.20(14) . . ? C24 Ru1 Ga2 113.50(14) . . ? C26 Ru1 Ga1 170.00(12) . . ? C25 Ru1 Ga1 140.75(13) . . ? C22 Ru1 Ga1 104.68(15) . . ? C23 Ru1 Ga1 93.16(13) . . ? C21 Ru1 Ga1 135.27(14) . . ? C24 Ru1 Ga1 107.65(11) . . ? Ga2 Ru1 Ga1 87.70(2) . . ? C26 Ru1 Ga3 102.17(12) . . ? C25 Ru1 Ga3 138.12(13) . . ? C22 Ru1 Ga3 99.22(15) . . ? C23 Ru1 Ga3 131.93(15) . . ? C21 Ru1 Ga3 86.06(12) . . ? C24 Ru1 Ga3 162.93(12) . . ? Ga2 Ru1 Ga3 81.02(2) . . ? Ga1 Ru1 Ga3 80.87(2) . . ? C1 Ga1 C5 37.35(16) . . ? C1 Ga1 C2 36.95(16) . . ? C5 Ga1 C2 61.54(15) . . ? C1 Ga1 C4 61.49(15) . . ? C5 Ga1 C4 36.91(14) . . ? C2 Ga1 C4 60.47(15) . . ? C1 Ga1 C3 60.88(15) . . ? C5 Ga1 C3 60.94(14) . . ? C2 Ga1 C3 35.82(15) . . ? C4 Ga1 C3 35.98(14) . . ? C1 Ga1 Ru1 159.16(11) . . ? C5 Ga1 Ru1 153.12(11) . . ? C2 Ga1 Ru1 145.28(11) . . ? C4 Ga1 Ru1 139.06(10) . . ? C3 Ga1 Ru1 135.71(10) . . ? C12 Ga2 C13 37.28(16) . . ? C12 Ga2 C11 36.9(3) . . ? C13 Ga2 C11 60.01(19) . . ? C12 Ga2 C14 60.48(19) . . ? C13 Ga2 C14 35.88(17) . . ? C11 Ga2 C14 57.7(3) . . ? C12 Ga2 C15 59.7(3) . . ? C13 Ga2 C15 59.1(2) . . ? C11 Ga2 C15 33.8(4) . . ? C14 Ga2 C15 34.6(3) . . ? C12 Ga2 Ru1 163.66(14) . . ? C13 Ga2 Ru1 150.25(10) . . ? C11 Ga2 Ru1 148.42(17) . . ? C14 Ga2 Ru1 135.21(14) . . ? C15 Ga2 Ru1 134.7(2) . . ? Cl2 Ga3 Cl1 101.97(5) . . ? Cl2 Ga3 Cl3 102.47(5) . . ? Cl1 Ga3 Cl3 99.96(5) . . ? Cl2 Ga3 Ru1 116.29(4) . . ? Cl1 Ga3 Ru1 119.11(4) . . ? Cl3 Ga3 Ru1 114.43(4) . . ? C2 C1 C5 107.7(4) . . ? C2 C1 C6 126.6(4) . . ? C5 C1 C6 125.5(4) . . ? C2 C1 Ga1 73.3(2) . . ? C5 C1 Ga1 71.4(2) . . ? C6 C1 Ga1 124.8(3) . . ? C3 C2 C1 108.3(4) . . ? C3 C2 C7 125.7(4) . . ? C1 C2 C7 126.0(4) . . ? C3 C2 Ga1 73.4(2) . . ? C1 C2 Ga1 69.7(2) . . ? C7 C2 Ga1 124.7(3) . . ? C2 C3 C4 108.4(4) . . ? C2 C3 C8 126.3(4) . . ? C4 C3 C8 125.3(4) . . ? C2 C3 Ga1 70.8(2) . . ? C4 C3 Ga1 70.8(2) . . ? C8 C3 Ga1 125.3(3) . . ? C3 C4 C5 108.1(4) . . ? C3 C4 C9 127.2(4) . . ? C5 C4 C9 124.7(4) . . ? C3 C4 Ga1 73.2(2) . . ? C5 C4 Ga1 69.8(2) . . ? C9 C4 Ga1 123.8(3) . . ? C1 C5 C4 107.6(4) . . ? C1 C5 C10 127.6(4) . . ? C4 C5 C10 124.7(4) . . ? C1 C5 Ga1 71.2(2) . . ? C4 C5 Ga1 73.3(2) . . ? C10 C5 Ga1 124.2(3) . . ? C15 C11 C12 110.8(7) . . ? C15 C11 C16 130.6(12) . . ? C12 C11 C16 118.6(12) . . ? C15 C11 Ga2 76.7(5) . . ? C12 C11 Ga2 69.1(3) . . ? C16 C11 Ga2 121.3(5) . . ? C11 C12 C13 105.2(6) . . ? C11 C12 C17 130.0(7) . . ? C13 C12 C17 124.4(6) . . ? C11 C12 Ga2 73.9(3) . . ? C13 C12 Ga2 73.0(2) . . ? C17 C12 Ga2 123.5(4) . . ? C14 C13 C12 107.4(5) . . ? C14 C13 C18 126.8(6) . . ? C12 C13 C18 125.6(5) . . ? C14 C13 Ga2 75.1(3) . . ? C12 C13 Ga2 69.7(2) . . ? C18 C13 Ga2 123.9(3) . . ? C15 C14 C13 108.3(7) . . ? C15 C14 C19 128.7(9) . . ? C13 C14 C19 123.0(8) . . ? C15 C14 Ga2 73.8(4) . . ? C13 C14 Ga2 69.0(2) . . ? C19 C14 Ga2 121.9(4) . . ? C11 C15 C14 108.3(6) . . ? C11 C15 C20 128.1(15) . . ? C14 C15 C20 123.5(14) . . ? C11 C15 Ga2 69.6(4) . . ? C14 C15 Ga2 71.6(3) . . ? C20 C15 Ga2 126.7(5) . . ? C22 C21 C26 117.8(4) . . ? C22 C21 C27 121.6(6) . . ? C26 C21 C27 120.5(5) . . ? C22 C21 Ru1 70.2(2) . . ? C26 C21 Ru1 69.2(2) . . ? C27 C21 Ru1 134.6(3) . . ? C23 C22 C21 122.2(5) . . ? C23 C22 Ru1 72.5(3) . . ? C21 C22 Ru1 73.9(3) . . ? C24 C23 C22 122.3(5) . . ? C24 C23 Ru1 74.7(3) . . ? C22 C23 Ru1 71.4(3) . . ? C23 C24 C25 117.7(4) . . ? C23 C24 C28 120.0(5) . . ? C25 C24 C28 122.2(5) . . ? C23 C24 Ru1 70.1(3) . . ? C25 C24 Ru1 68.5(2) . . ? C28 C24 Ru1 136.0(3) . . ? C24 C25 C26 119.6(4) . . ? C24 C25 Ru1 74.5(2) . . ? C26 C25 Ru1 70.6(2) . . ? C21 C26 C25 120.0(4) . . ? C21 C26 Ru1 74.1(2) . . ? C25 C26 Ru1 71.3(2) . . ? C30 C28 C29 111.1(6) . . ? C30 C28 C24 113.9(5) . . ? C29 C28 C24 109.3(5) . . ? 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 C26 Ru1 Ga1 C1 -179.3(8) . . . . ? C25 Ru1 Ga1 C1 103.7(4) . . . . ? C22 Ru1 Ga1 C1 -168.0(4) . . . . ? C23 Ru1 Ga1 C1 157.3(4) . . . . ? C21 Ru1 Ga1 C1 -145.6(4) . . . . ? C24 Ru1 Ga1 C1 124.5(4) . . . . ? Ga2 Ru1 Ga1 C1 10.5(3) . . . . ? Ga3 Ru1 Ga1 C1 -70.7(3) . . . . ? C26 Ru1 Ga1 C5 -75.4(7) . . . . ? C25 Ru1 Ga1 C5 -152.4(3) . . . . ? C22 Ru1 Ga1 C5 -64.1(3) . . . . ? C23 Ru1 Ga1 C5 -98.8(3) . . . . ? C21 Ru1 Ga1 C5 -41.7(3) . . . . ? C24 Ru1 Ga1 C5 -131.6(3) . . . . ? Ga2 Ru1 Ga1 C5 114.4(2) . . . . ? Ga3 Ru1 Ga1 C5 33.2(2) . . . . ? C26 Ru1 Ga1 C2 99.5(7) . . . . ? C25 Ru1 Ga1 C2 22.5(3) . . . . ? C22 Ru1 Ga1 C2 110.9(3) . . . . ? C23 Ru1 Ga1 C2 76.1(3) . . . . ? C21 Ru1 Ga1 C2 133.2(3) . . . . ? C24 Ru1 Ga1 C2 43.3(3) . . . . ? Ga2 Ru1 Ga1 C2 -70.6(2) . . . . ? Ga3 Ru1 Ga1 C2 -151.9(2) . . . . ? C26 Ru1 Ga1 C4 -10.6(7) . . . . ? C25 Ru1 Ga1 C4 -87.5(3) . . . . ? C22 Ru1 Ga1 C4 0.8(2) . . . . ? C23 Ru1 Ga1 C4 -33.9(2) . . . . ? C21 Ru1 Ga1 C4 23.2(2) . . . . ? C24 Ru1 Ga1 C4 -66.7(2) . . . . ? Ga2 Ru1 Ga1 C4 179.31(15) . . . . ? Ga3 Ru1 Ga1 C4 98.04(16) . . . . ? C26 Ru1 Ga1 C3 43.5(7) . . . . ? C25 Ru1 Ga1 C3 -33.5(3) . . . . ? C22 Ru1 Ga1 C3 54.9(2) . . . . ? C23 Ru1 Ga1 C3 20.1(2) . . . . ? C21 Ru1 Ga1 C3 77.2(2) . . . . ? C24 Ru1 Ga1 C3 -12.7(2) . . . . ? Ga2 Ru1 Ga1 C3 -126.62(15) . . . . ? Ga3 Ru1 Ga1 C3 152.11(15) . . . . ? C26 Ru1 Ga2 C12 160.9(5) . . . . ? C25 Ru1 Ga2 C12 -161.5(5) . . . . ? C22 Ru1 Ga2 C12 152.4(9) . . . . ? C23 Ru1 Ga2 C12 -113.1(6) . . . . ? C21 Ru1 Ga2 C12 136.6(6) . . . . ? C24 Ru1 Ga2 C12 -129.1(5) . . . . ? Ga1 Ru1 Ga2 C12 -20.8(5) . . . . ? Ga3 Ru1 Ga2 C12 60.3(5) . . . . ? C26 Ru1 Ga2 C13 55.4(3) . . . . ? C25 Ru1 Ga2 C13 92.9(3) . . . . ? C22 Ru1 Ga2 C13 46.9(7) . . . . ? C23 Ru1 Ga2 C13 141.4(3) . . . . ? C21 Ru1 Ga2 C13 31.0(3) . . . . ? C24 Ru1 Ga2 C13 125.4(3) . . . . ? Ga1 Ru1 Ga2 C13 -126.4(2) . . . . ? Ga3 Ru1 Ga2 C13 -45.3(2) . . . . ? C26 Ru1 Ga2 C11 -102.0(7) . . . . ? C25 Ru1 Ga2 C11 -64.4(7) . . . . ? C22 Ru1 Ga2 C11 -110.5(10) . . . . ? C23 Ru1 Ga2 C11 -16.0(7) . . . . ? C21 Ru1 Ga2 C11 -126.3(7) . . . . ? C24 Ru1 Ga2 C11 -32.0(7) . . . . ? Ga1 Ru1 Ga2 C11 76.3(6) . . . . ? Ga3 Ru1 Ga2 C11 157.4(6) . . . . ? C26 Ru1 Ga2 C14 -0.9(3) . . . . ? C25 Ru1 Ga2 C14 36.6(3) . . . . ? C22 Ru1 Ga2 C14 -9.4(8) . . . . ? C23 Ru1 Ga2 C14 85.1(4) . . . . ? C21 Ru1 Ga2 C14 -25.3(3) . . . . ? C24 Ru1 Ga2 C14 69.1(3) . . . . ? Ga1 Ru1 Ga2 C14 177.3(3) . . . . ? Ga3 Ru1 Ga2 C14 -101.5(3) . . . . ? C26 Ru1 Ga2 C15 -50.6(6) . . . . ? C25 Ru1 Ga2 C15 -13.1(6) . . . . ? C22 Ru1 Ga2 C15 -59.1(9) . . . . ? C23 Ru1 Ga2 C15 35.4(6) . . . . ? C21 Ru1 Ga2 C15 -74.9(6) . . . . ? C24 Ru1 Ga2 C15 19.4(6) . . . . ? Ga1 Ru1 Ga2 C15 127.7(5) . . . . ? Ga3 Ru1 Ga2 C15 -151.2(5) . . . . ? C26 Ru1 Ga3 Cl2 92.92(14) . . . . ? C25 Ru1 Ga3 Cl2 107.91(19) . . . . ? C22 Ru1 Ga3 Cl2 26.15(15) . . . . ? C23 Ru1 Ga3 Cl2 8.65(18) . . . . ? C21 Ru1 Ga3 Cl2 59.69(15) . . . . ? C24 Ru1 Ga3 Cl2 44.2(5) . . . . ? Ga2 Ru1 Ga3 Cl2 -166.48(4) . . . . ? Ga1 Ru1 Ga3 Cl2 -77.38(5) . . . . ? C26 Ru1 Ga3 Cl1 -144.40(13) . . . . ? C25 Ru1 Ga3 Cl1 -129.42(19) . . . . ? C22 Ru1 Ga3 Cl1 148.82(15) . . . . ? C23 Ru1 Ga3 Cl1 131.32(18) . . . . ? C21 Ru1 Ga3 Cl1 -177.63(15) . . . . ? C24 Ru1 Ga3 Cl1 166.8(5) . . . . ? Ga2 Ru1 Ga3 Cl1 -43.80(4) . . . . ? Ga1 Ru1 Ga3 Cl1 45.29(4) . . . . ? C26 Ru1 Ga3 Cl3 -26.35(13) . . . . ? C25 Ru1 Ga3 Cl3 -11.37(19) . . . . ? C22 Ru1 Ga3 Cl3 -93.12(15) . . . . ? C23 Ru1 Ga3 Cl3 -110.62(17) . . . . ? C21 Ru1 Ga3 Cl3 -59.58(15) . . . . ? C24 Ru1 Ga3 Cl3 -75.1(5) . . . . ? Ga2 Ru1 Ga3 Cl3 74.25(4) . . . . ? Ga1 Ru1 Ga3 Cl3 163.35(4) . . . . ? C5 Ga1 C1 C2 115.8(3) . . . . ? C4 Ga1 C1 C2 77.8(3) . . . . ? C3 Ga1 C1 C2 36.5(2) . . . . ? Ru1 Ga1 C1 C2 -110.5(3) . . . . ? C2 Ga1 C1 C5 -115.8(3) . . . . ? C4 Ga1 C1 C5 -38.0(2) . . . . ? C3 Ga1 C1 C5 -79.3(2) . . . . ? Ru1 Ga1 C1 C5 133.7(3) . . . . ? C5 Ga1 C1 C6 -120.9(5) . . . . ? C2 Ga1 C1 C6 123.3(5) . . . . ? C4 Ga1 C1 C6 -158.9(5) . . . . ? C3 Ga1 C1 C6 159.9(5) . . . . ? Ru1 Ga1 C1 C6 12.8(7) . . . . ? C5 C1 C2 C3 -0.1(4) . . . . ? C6 C1 C2 C3 175.0(4) . . . . ? Ga1 C1 C2 C3 -63.7(3) . . . . ? C5 C1 C2 C7 -177.6(4) . . . . ? C6 C1 C2 C7 -2.5(7) . . . . ? Ga1 C1 C2 C7 118.8(4) . . . . ? C5 C1 C2 Ga1 63.6(3) . . . . ? C6 C1 C2 Ga1 -121.3(4) . . . . ? C1 Ga1 C2 C3 117.3(4) . . . . ? C5 Ga1 C2 C3 78.9(3) . . . . ? C4 Ga1 C2 C3 36.5(2) . . . . ? Ru1 Ga1 C2 C3 -98.5(3) . . . . ? C5 Ga1 C2 C1 -38.4(2) . . . . ? C4 Ga1 C2 C1 -80.8(3) . . . . ? C3 Ga1 C2 C1 -117.3(4) . . . . ? Ru1 Ga1 C2 C1 144.2(2) . . . . ? C1 Ga1 C2 C7 -120.5(5) . . . . ? C5 Ga1 C2 C7 -158.9(5) . . . . ? C4 Ga1 C2 C7 158.7(5) . . . . ? C3 Ga1 C2 C7 122.2(5) . . . . ? Ru1 Ga1 C2 C7 23.7(5) . . . . ? C1 C2 C3 C4 0.3(4) . . . . ? C7 C2 C3 C4 177.8(4) . . . . ? Ga1 C2 C3 C4 -61.1(3) . . . . ? C1 C2 C3 C8 -178.4(4) . . . . ? C7 C2 C3 C8 -0.9(7) . . . . ? Ga1 C2 C3 C8 120.3(4) . . . . ? C1 C2 C3 Ga1 61.4(3) . . . . ? C7 C2 C3 Ga1 -121.1(4) . . . . ? C1 Ga1 C3 C2 -37.7(2) . . . . ? C5 Ga1 C3 C2 -80.7(3) . . . . ? C4 Ga1 C3 C2 -118.3(3) . . . . ? Ru1 Ga1 C3 C2 126.2(2) . . . . ? C1 Ga1 C3 C4 80.6(3) . . . . ? C5 Ga1 C3 C4 37.7(2) . . . . ? C2 Ga1 C3 C4 118.3(3) . . . . ? Ru1 Ga1 C3 C4 -115.4(2) . . . . ? C1 Ga1 C3 C8 -159.2(4) . . . . ? C5 Ga1 C3 C8 157.8(4) . . . . ? C2 Ga1 C3 C8 -121.5(5) . . . . ? C4 Ga1 C3 C8 120.2(5) . . . . ? Ru1 Ga1 C3 C8 4.8(5) . . . . ? C2 C3 C4 C5 -0.3(4) . . . . ? C8 C3 C4 C5 178.3(4) . . . . ? Ga1 C3 C4 C5 -61.4(2) . . . . ? C2 C3 C4 C9 -178.8(4) . . . . ? C8 C3 C4 C9 -0.2(6) . . . . ? Ga1 C3 C4 C9 120.0(4) . . . . ? C2 C3 C4 Ga1 61.1(3) . . . . ? C8 C3 C4 Ga1 -120.2(4) . . . . ? C1 Ga1 C4 C3 -78.8(3) . . . . ? C5 Ga1 C4 C3 -117.2(3) . . . . ? C2 Ga1 C4 C3 -36.3(2) . . . . ? Ru1 Ga1 C4 C3 105.8(2) . . . . ? C1 Ga1 C4 C5 38.4(2) . . . . ? C2 Ga1 C4 C5 80.9(3) . . . . ? C3 Ga1 C4 C5 117.2(3) . . . . ? Ru1 Ga1 C4 C5 -137.0(2) . . . . ? C1 Ga1 C4 C9 157.3(4) . . . . ? C5 Ga1 C4 C9 118.9(4) . . . . ? C2 Ga1 C4 C9 -160.2(4) . . . . ? C3 Ga1 C4 C9 -123.9(4) . . . . ? Ru1 Ga1 C4 C9 -18.2(4) . . . . ? C2 C1 C5 C4 -0.1(4) . . . . ? C6 C1 C5 C4 -175.2(4) . . . . ? Ga1 C1 C5 C4 64.8(3) . . . . ? C2 C1 C5 C10 175.9(4) . . . . ? C6 C1 C5 C10 0.8(6) . . . . ? Ga1 C1 C5 C10 -119.2(4) . . . . ? C2 C1 C5 Ga1 -64.9(3) . . . . ? C6 C1 C5 Ga1 120.0(4) . . . . ? C3 C4 C5 C1 0.2(4) . . . . ? C9 C4 C5 C1 178.8(4) . . . . ? Ga1 C4 C5 C1 -63.4(3) . . . . ? C3 C4 C5 C10 -175.9(4) . . . . ? C9 C4 C5 C10 2.7(6) . . . . ? Ga1 C4 C5 C10 120.4(4) . . . . ? C3 C4 C5 Ga1 63.6(3) . . . . ? C9 C4 C5 Ga1 -117.8(4) . . . . ? C2 Ga1 C5 C1 38.0(2) . . . . ? C4 Ga1 C5 C1 115.8(3) . . . . ? C3 Ga1 C5 C1 79.1(3) . . . . ? Ru1 Ga1 C5 C1 -145.3(2) . . . . ? C1 Ga1 C5 C4 -115.8(3) . . . . ? C2 Ga1 C5 C4 -77.8(3) . . . . ? C3 Ga1 C5 C4 -36.7(2) . . . . ? Ru1 Ga1 C5 C4 98.9(3) . . . . ? C1 Ga1 C5 C10 123.2(5) . . . . ? C2 Ga1 C5 C10 161.2(4) . . . . ? C4 Ga1 C5 C10 -121.0(5) . . . . ? C3 Ga1 C5 C10 -157.7(4) . . . . ? Ru1 Ga1 C5 C10 -22.1(5) . . . . ? C12 Ga2 C11 C15 -118.7(7) . . . . ? C13 Ga2 C11 C15 -78.3(6) . . . . ? C14 Ga2 C11 C15 -36.2(5) . . . . ? Ru1 Ga2 C11 C15 89.0(7) . . . . ? C13 Ga2 C11 C12 40.4(3) . . . . ? C14 Ga2 C11 C12 82.5(4) . . . . ? C15 Ga2 C11 C12 118.7(7) . . . . ? Ru1 Ga2 C11 C12 -152.3(3) . . . . ? C12 Ga2 C11 C16 111.6(14) . . . . ? C13 Ga2 C11 C16 152.1(12) . . . . ? C14 Ga2 C11 C16 -165.8(13) . . . . ? C15 Ga2 C11 C16 -129.7(14) . . . . ? Ru1 Ga2 C11 C16 -40.7(15) . . . . ? C15 C11 C12 C13 -0.9(7) . . . . ? C16 C11 C12 C13 178.1(5) . . . . ? Ga2 C11 C12 C13 -66.8(3) . . . . ? C15 C11 C12 C17 -173.6(6) . . . . ? C16 C11 C12 C17 5.3(9) . . . . ? Ga2 C11 C12 C17 120.5(5) . . . . ? C15 C11 C12 Ga2 65.9(6) . . . . ? C16 C11 C12 Ga2 -115.2(6) . . . . ? C13 Ga2 C12 C11 -112.0(6) . . . . ? C14 Ga2 C12 C11 -74.5(5) . . . . ? C15 Ga2 C12 C11 -34.4(5) . . . . ? Ru1 Ga2 C12 C11 120.2(6) . . . . ? C11 Ga2 C12 C13 112.0(6) . . . . ? C14 Ga2 C12 C13 37.5(3) . . . . ? C15 Ga2 C12 C13 77.6(5) . . . . ? Ru1 Ga2 C12 C13 -127.9(4) . . . . ? C13 Ga2 C12 C17 120.4(8) . . . . ? C11 Ga2 C12 C17 -127.7(9) . . . . ? C14 Ga2 C12 C17 157.9(7) . . . . ? C15 Ga2 C12 C17 -162.0(8) . . . . ? Ru1 Ga2 C12 C17 -7.5(10) . . . . ? C11 C12 C13 C14 1.2(5) . . . . ? C17 C12 C13 C14 174.4(5) . . . . ? Ga2 C12 C13 C14 -66.3(3) . . . . ? C11 C12 C13 C18 -174.7(4) . . . . ? C17 C12 C13 C18 -1.5(7) . . . . ? Ga2 C12 C13 C18 117.8(4) . . . . ? C11 C12 C13 Ga2 67.4(3) . . . . ? C17 C12 C13 Ga2 -119.3(5) . . . . ? C12 Ga2 C13 C14 115.3(5) . . . . ? C11 Ga2 C13 C14 75.3(5) . . . . ? C15 Ga2 C13 C14 35.9(5) . . . . ? Ru1 Ga2 C13 C14 -91.2(4) . . . . ? C11 Ga2 C13 C12 -40.1(5) . . . . ? C14 Ga2 C13 C12 -115.3(5) . . . . ? C15 Ga2 C13 C12 -79.4(5) . . . . ? Ru1 Ga2 C13 C12 153.4(3) . . . . ? C12 Ga2 C13 C18 -120.0(6) . . . . ? C11 Ga2 C13 C18 -160.1(7) . . . . ? C14 Ga2 C13 C18 124.6(6) . . . . ? C15 Ga2 C13 C18 160.6(7) . . . . ? Ru1 Ga2 C13 C18 33.4(6) . . . . ? C12 C13 C14 C15 -1.1(6) . . . . ? C18 C13 C14 C15 174.7(5) . . . . ? Ga2 C13 C14 C15 -63.8(4) . . . . ? C12 C13 C14 C19 177.9(5) . . . . ? C18 C13 C14 C19 -6.2(8) . . . . ? Ga2 C13 C14 C19 115.2(5) . . . . ? C12 C13 C14 Ga2 62.7(3) . . . . ? C18 C13 C14 Ga2 -121.5(4) . . . . ? C12 Ga2 C14 C15 78.5(6) . . . . ? C13 Ga2 C14 C15 117.5(7) . . . . ? C11 Ga2 C14 C15 35.3(5) . . . . ? Ru1 Ga2 C14 C15 -107.3(6) . . . . ? C12 Ga2 C14 C13 -39.0(3) . . . . ? C11 Ga2 C14 C13 -82.2(4) . . . . ? C15 Ga2 C14 C13 -117.5(7) . . . . ? Ru1 Ga2 C14 C13 135.2(2) . . . . ? C12 Ga2 C14 C19 -155.6(8) . . . . ? C13 Ga2 C14 C19 -116.6(9) . . . . ? C11 Ga2 C14 C19 161.2(9) . . . . ? C15 Ga2 C14 C19 125.9(10) . . . . ? Ru1 Ga2 C14 C19 18.6(9) . . . . ? C12 C11 C15 C14 0.2(9) . . . . ? C16 C11 C15 C14 -178.6(6) . . . . ? Ga2 C11 C15 C14 61.5(5) . . . . ? C12 C11 C15 C20 177.5(6) . . . . ? C16 C11 C15 C20 -1.3(14) . . . . ? Ga2 C11 C15 C20 -121.2(8) . . . . ? C12 C11 C15 Ga2 -61.2(4) . . . . ? C16 C11 C15 Ga2 120.0(8) . . . . ? C13 C14 C15 C11 0.6(8) . . . . ? C19 C14 C15 C11 -178.4(6) . . . . ? Ga2 C14 C15 C11 -60.2(5) . . . . ? C13 C14 C15 C20 -176.9(6) . . . . ? C19 C14 C15 C20 4.2(11) . . . . ? Ga2 C14 C15 C20 122.4(7) . . . . ? C13 C14 C15 Ga2 60.7(4) . . . . ? C19 C14 C15 Ga2 -118.2(6) . . . . ? C12 Ga2 C15 C11 37.6(4) . . . . ? C13 Ga2 C15 C11 81.2(5) . . . . ? C14 Ga2 C15 C11 118.5(7) . . . . ? Ru1 Ga2 C15 C11 -132.6(4) . . . . ? C12 Ga2 C15 C14 -80.9(4) . . . . ? C13 Ga2 C15 C14 -37.3(3) . . . . ? C11 Ga2 C15 C14 -118.5(7) . . . . ? Ru1 Ga2 C15 C14 108.9(4) . . . . ? C12 Ga2 C15 C20 160.6(17) . . . . ? C13 Ga2 C15 C20 -155.9(17) . . . . ? C11 Ga2 C15 C20 122.9(18) . . . . ? C14 Ga2 C15 C20 -118.5(18) . . . . ? Ru1 Ga2 C15 C20 -9.6(18) . . . . ? C26 Ru1 C21 C22 131.9(4) . . . . ? C25 Ru1 C21 C22 101.1(4) . . . . ? C23 Ru1 C21 C22 28.7(3) . . . . ? C24 Ru1 C21 C22 63.7(3) . . . . ? Ga2 Ru1 C21 C22 174.2(3) . . . . ? Ga1 Ru1 C21 C22 -38.8(4) . . . . ? Ga3 Ru1 C21 C22 -111.6(3) . . . . ? C25 Ru1 C21 C26 -30.8(3) . . . . ? C22 Ru1 C21 C26 -131.9(4) . . . . ? C23 Ru1 C21 C26 -103.2(3) . . . . ? C24 Ru1 C21 C26 -68.2(3) . . . . ? Ga2 Ru1 C21 C26 42.3(3) . . . . ? Ga1 Ru1 C21 C26 -170.7(2) . . . . ? Ga3 Ru1 C21 C26 116.5(3) . . . . ? C26 Ru1 C21 C27 -112.7(7) . . . . ? C25 Ru1 C21 C27 -143.5(7) . . . . ? C22 Ru1 C21 C27 115.3(8) . . . . ? C23 Ru1 C21 C27 144.1(7) . . . . ? C24 Ru1 C21 C27 179.1(7) . . . . ? Ga2 Ru1 C21 C27 -70.4(7) . . . . ? Ga1 Ru1 C21 C27 76.5(7) . . . . ? Ga3 Ru1 C21 C27 3.7(6) . . . . ? C26 C21 C22 C23 -4.6(7) . . . . ? C27 C21 C22 C23 172.7(5) . . . . ? Ru1 C21 C22 C23 -56.5(4) . . . . ? C26 C21 C22 Ru1 51.9(4) . . . . ? C27 C21 C22 Ru1 -130.8(4) . . . . ? C26 Ru1 C22 C23 103.0(3) . . . . ? C25 Ru1 C22 C23 64.8(3) . . . . ? C21 Ru1 C22 C23 132.3(5) . . . . ? C24 Ru1 C22 C23 28.1(3) . . . . ? Ga2 Ru1 C22 C23 112.2(7) . . . . ? Ga1 Ru1 C22 C23 -74.8(3) . . . . ? Ga3 Ru1 C22 C23 -157.7(3) . . . . ? C26 Ru1 C22 C21 -29.3(3) . . . . ? C25 Ru1 C22 C21 -67.5(3) . . . . ? C23 Ru1 C22 C21 -132.3(5) . . . . ? C24 Ru1 C22 C21 -104.3(3) . . . . ? Ga2 Ru1 C22 C21 -20.2(9) . . . . ? Ga1 Ru1 C22 C21 152.9(3) . . . . ? Ga3 Ru1 C22 C21 70.0(3) . . . . ? C21 C22 C23 C24 0.0(7) . . . . ? Ru1 C22 C23 C24 -57.1(4) . . . . ? C21 C22 C23 Ru1 57.1(4) . . . . ? C26 Ru1 C23 C24 67.4(3) . . . . ? C25 Ru1 C23 C24 29.3(3) . . . . ? C22 Ru1 C23 C24 132.6(5) . . . . ? C21 Ru1 C23 C24 104.0(3) . . . . ? Ga2 Ru1 C23 C24 -26.0(4) . . . . ? Ga1 Ru1 C23 C24 -116.6(3) . . . . ? Ga3 Ru1 C23 C24 162.8(2) . . . . ? C26 Ru1 C23 C22 -65.2(3) . . . . ? C25 Ru1 C23 C22 -103.3(3) . . . . ? C21 Ru1 C23 C22 -28.6(3) . . . . ? C24 Ru1 C23 C22 -132.6(5) . . . . ? Ga2 Ru1 C23 C22 -158.6(3) . . . . ? Ga1 Ru1 C23 C22 110.8(3) . . . . ? Ga3 Ru1 C23 C22 30.2(4) . . . . ? C22 C23 C24 C25 4.7(7) . . . . ? Ru1 C23 C24 C25 -50.9(3) . . . . ? C22 C23 C24 C28 -172.0(4) . . . . ? Ru1 C23 C24 C28 132.4(4) . . . . ? C22 C23 C24 Ru1 55.6(4) . . . . ? C26 Ru1 C24 C23 -101.5(3) . . . . ? C25 Ru1 C24 C23 -132.4(4) . . . . ? C22 Ru1 C24 C23 -28.7(3) . . . . ? C21 Ru1 C24 C23 -64.4(3) . . . . ? Ga2 Ru1 C24 C23 164.8(3) . . . . ? Ga1 Ru1 C24 C23 69.5(3) . . . . ? Ga3 Ru1 C24 C23 -48.5(6) . . . . ? C26 Ru1 C24 C25 30.9(3) . . . . ? C22 Ru1 C24 C25 103.7(3) . . . . ? C23 Ru1 C24 C25 132.4(4) . . . . ? C21 Ru1 C24 C25 68.0(3) . . . . ? Ga2 Ru1 C24 C25 -62.8(3) . . . . ? Ga1 Ru1 C24 C25 -158.1(2) . . . . ? Ga3 Ru1 C24 C25 83.9(6) . . . . ? C26 Ru1 C24 C28 145.6(6) . . . . ? C25 Ru1 C24 C28 114.6(7) . . . . ? C22 Ru1 C24 C28 -141.7(6) . . . . ? C23 Ru1 C24 C28 -113.0(7) . . . . ? C21 Ru1 C24 C28 -177.3(6) . . . . ? Ga2 Ru1 C24 C28 51.8(6) . . . . ? Ga1 Ru1 C24 C28 -43.5(6) . . . . ? Ga3 Ru1 C24 C28 -161.4(4) . . . . ? C23 C24 C25 C26 -4.7(6) . . . . ? C28 C24 C25 C26 171.9(4) . . . . ? Ru1 C24 C25 C26 -56.4(3) . . . . ? C23 C24 C25 Ru1 51.6(4) . . . . ? C28 C24 C25 Ru1 -131.8(4) . . . . ? C26 Ru1 C25 C24 -129.9(4) . . . . ? C22 Ru1 C25 C24 -64.0(3) . . . . ? C23 Ru1 C25 C24 -28.0(3) . . . . ? C21 Ru1 C25 C24 -100.1(3) . . . . ? Ga2 Ru1 C25 C24 125.2(3) . . . . ? Ga1 Ru1 C25 C24 34.2(4) . . . . ? Ga3 Ru1 C25 C24 -154.1(2) . . . . ? C22 Ru1 C25 C26 65.9(3) . . . . ? C23 Ru1 C25 C26 101.9(3) . . . . ? C21 Ru1 C25 C26 29.8(3) . . . . ? C24 Ru1 C25 C26 129.9(4) . . . . ? Ga2 Ru1 C25 C26 -104.9(3) . . . . ? Ga1 Ru1 C25 C26 164.1(2) . . . . ? Ga3 Ru1 C25 C26 -24.2(4) . . . . ? C22 C21 C26 C25 4.3(6) . . . . ? C27 C21 C26 C25 -173.0(4) . . . . ? Ru1 C21 C26 C25 56.7(3) . . . . ? C22 C21 C26 Ru1 -52.4(4) . . . . ? C27 C21 C26 Ru1 130.3(4) . . . . ? C24 C25 C26 C21 0.3(6) . . . . ? Ru1 C25 C26 C21 -58.0(4) . . . . ? C24 C25 C26 Ru1 58.3(3) . . . . ? C25 Ru1 C26 C21 130.2(4) . . . . ? C22 Ru1 C26 C21 28.7(3) . . . . ? C23 Ru1 C26 C21 64.7(3) . . . . ? C24 Ru1 C26 C21 100.1(3) . . . . ? Ga2 Ru1 C26 C21 -149.3(2) . . . . ? Ga1 Ru1 C26 C21 40.8(8) . . . . ? Ga3 Ru1 C26 C21 -66.0(3) . . . . ? C22 Ru1 C26 C25 -101.6(3) . . . . ? C23 Ru1 C26 C25 -65.5(3) . . . . ? C21 Ru1 C26 C25 -130.2(4) . . . . ? C24 Ru1 C26 C25 -30.1(3) . . . . ? Ga2 Ru1 C26 C25 80.5(3) . . . . ? Ga1 Ru1 C26 C25 -89.4(7) . . . . ? Ga3 Ru1 C26 C25 163.7(2) . . . . ? C23 C24 C28 C30 -142.0(6) . . . . ? C25 C24 C28 C30 41.5(7) . . . . ? Ru1 C24 C28 C30 -50.1(8) . . . . ? C23 C24 C28 C29 93.1(7) . . . . ? C25 C24 C28 C29 -83.4(7) . . . . ? Ru1 C24 C28 C29 -175.1(5) . . . . ? _diffrn_measured_fraction_theta_max 0.980 _diffrn_reflns_theta_full 25.08 _diffrn_measured_fraction_theta_full 0.980 _refine_diff_density_max 0.866 _refine_diff_density_min -0.592 _refine_diff_density_rms 0.085 #=================================================END data_6 _database_code_depnum_ccdc_archive 'CCDC 246343' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H60 Cl In3 Ru' _chemical_formula_weight 1021.86 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 12.038(3) _cell_length_b 20.651(6) _cell_length_c 18.467(6) _cell_angle_alpha 90.00 _cell_angle_beta 102.358(8) _cell_angle_gamma 90.00 _cell_volume 4484(2) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 4831 _cell_measurement_theta_min 2.46 _cell_measurement_theta_max 25.22 _exptl_crystal_description plates _exptl_crystal_colour red _exptl_crystal_size_max 0.48 _exptl_crystal_size_mid 0.34 _exptl_crystal_size_min 0.32 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.514 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2032 _exptl_absorpt_coefficient_mu 1.936 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.547 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD 1000' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 25012 _diffrn_reflns_av_R_equivalents 0.1249 _diffrn_reflns_av_sigmaI/netI 0.1515 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.46 _diffrn_reflns_theta_max 25.22 _reflns_number_total 7903 _reflns_number_gt 4831 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0408P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7903 _refine_ls_number_parameters 406 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1090 _refine_ls_R_factor_gt 0.0642 _refine_ls_wR_factor_ref 0.1576 _refine_ls_wR_factor_gt 0.1402 _refine_ls_goodness_of_fit_ref 0.947 _refine_ls_restrained_S_all 0.947 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.11942(6) 0.23738(3) 0.31491(3) 0.01852(19) Uani 1 1 d . . . In1 In -0.01518(6) 0.14036(4) 0.28823(4) 0.0420(2) Uani 1 1 d . . . In2 In -0.05999(6) 0.30832(3) 0.27416(4) 0.0323(2) Uani 1 1 d . . . In3 In 0.10689(6) 0.23404(3) 0.17361(3) 0.0311(2) Uani 1 1 d . . . Cl1 Cl -0.1234(2) 0.26425(13) 0.12414(12) 0.0420(7) Uani 1 1 d . . . C1 C 0.2884(8) 0.2033(4) 0.3679(5) 0.029(2) Uani 1 1 d . . . C2 C 0.2168(7) 0.1974(4) 0.4194(4) 0.025(2) Uani 1 1 d . . . C3 C 0.1751(8) 0.2594(5) 0.4331(4) 0.029(2) Uani 1 1 d . . . C4 C 0.2241(8) 0.3068(4) 0.3896(5) 0.027(2) Uani 1 1 d . . . C5 C 0.2953(8) 0.2716(4) 0.3493(5) 0.028(2) Uani 1 1 d . . . C6 C 0.3578(8) 0.1484(5) 0.3441(5) 0.040(3) Uani 1 1 d . . . H6A H 0.4300 0.1446 0.3792 0.060 Uiso 1 1 calc R . . H6B H 0.3713 0.1576 0.2952 0.060 Uiso 1 1 calc R . . H6C H 0.3161 0.1081 0.3427 0.060 Uiso 1 1 calc R . . C7 C 0.1982(10) 0.1369(5) 0.4607(5) 0.050(3) Uani 1 1 d . . . H7A H 0.2572 0.1334 0.5055 0.074 Uiso 1 1 calc R . . H7B H 0.2009 0.0994 0.4295 0.074 Uiso 1 1 calc R . . H7C H 0.1244 0.1390 0.4738 0.074 Uiso 1 1 calc R . . C8 C 0.1063(9) 0.2768(5) 0.4900(5) 0.044(3) Uani 1 1 d . . . H8A H 0.1572 0.2842 0.5376 0.066 Uiso 1 1 calc R . . H8B H 0.0549 0.2415 0.4944 0.066 Uiso 1 1 calc R . . H8C H 0.0627 0.3158 0.4745 0.066 Uiso 1 1 calc R . . C9 C 0.2143(9) 0.3791(5) 0.3926(6) 0.050(3) Uani 1 1 d . . . H9A H 0.2740 0.3960 0.4318 0.075 Uiso 1 1 calc R . . H9B H 0.1407 0.3906 0.4023 0.075 Uiso 1 1 calc R . . H9C H 0.2218 0.3974 0.3455 0.075 Uiso 1 1 calc R . . C10 C 0.3702(9) 0.3007(6) 0.3037(6) 0.053(3) Uani 1 1 d . . . H10A H 0.4436 0.3107 0.3351 0.080 Uiso 1 1 calc R . . H10B H 0.3357 0.3401 0.2807 0.080 Uiso 1 1 calc R . . H10C H 0.3801 0.2703 0.2656 0.080 Uiso 1 1 calc R . . C11 C -0.1801(9) 0.0742(5) 0.2236(5) 0.042(3) Uani 1 1 d . . . C12 C -0.2085(9) 0.0964(5) 0.2912(6) 0.040(3) Uani 1 1 d . . . C13 C -0.1316(9) 0.0661(5) 0.3507(5) 0.042(3) Uani 1 1 d . . . C14 C -0.0588(8) 0.0260(5) 0.3219(6) 0.037(2) Uani 1 1 d . . . C15 C -0.0897(8) 0.0302(5) 0.2426(6) 0.039(3) Uani 1 1 d . . . C16 C -0.2415(11) 0.0881(7) 0.1464(6) 0.082(5) Uani 1 1 d . . . H16A H -0.3029 0.0572 0.1318 0.123 Uiso 1 1 calc R . . H16B H -0.1892 0.0845 0.1132 0.123 Uiso 1 1 calc R . . H16C H -0.2725 0.1316 0.1437 0.123 Uiso 1 1 calc R . . C17 C -0.3042(11) 0.1414(7) 0.2972(9) 0.095(5) Uani 1 1 d . . . H17A H -0.3718 0.1163 0.2986 0.142 Uiso 1 1 calc R . . H17B H -0.3195 0.1701 0.2547 0.142 Uiso 1 1 calc R . . H17C H -0.2831 0.1667 0.3423 0.142 Uiso 1 1 calc R . . C18 C -0.1409(13) 0.0733(8) 0.4323(6) 0.094(6) Uani 1 1 d . . . H18A H -0.1899 0.0396 0.4445 0.141 Uiso 1 1 calc R . . H18B H -0.1728 0.1154 0.4394 0.141 Uiso 1 1 calc R . . H18C H -0.0659 0.0695 0.4642 0.141 Uiso 1 1 calc R . . C19 C 0.0264(12) -0.0183(6) 0.3665(8) 0.083(4) Uani 1 1 d . . . H19A H -0.0093 -0.0595 0.3725 0.124 Uiso 1 1 calc R . . H19B H 0.0558 0.0007 0.4149 0.124 Uiso 1 1 calc R . . H19C H 0.0884 -0.0251 0.3413 0.124 Uiso 1 1 calc R . . C20 C -0.0445(13) -0.0117(6) 0.1883(8) 0.085(5) Uani 1 1 d . . . H20A H -0.0869 -0.0520 0.1807 0.128 Uiso 1 1 calc R . . H20B H 0.0353 -0.0210 0.2079 0.128 Uiso 1 1 calc R . . H20C H -0.0529 0.0110 0.1414 0.128 Uiso 1 1 calc R . . C21 C -0.2439(8) 0.3559(5) 0.2703(5) 0.031(2) Uani 1 1 d . . . C22 C -0.1724(8) 0.4053(4) 0.2449(5) 0.026(2) Uani 1 1 d . . . C23 C -0.1082(8) 0.4343(4) 0.3105(5) 0.031(2) Uani 1 1 d . . . C24 C -0.1381(8) 0.4049(5) 0.3728(5) 0.033(2) Uani 1 1 d . . . C25 C -0.2183(7) 0.3577(4) 0.3486(5) 0.025(2) Uani 1 1 d . . . C26 C -0.3421(8) 0.3240(5) 0.2215(6) 0.040(3) Uani 1 1 d . . . H26A H -0.4114 0.3468 0.2245 0.060 Uiso 1 1 calc R . . H26B H -0.3472 0.2795 0.2372 0.060 Uiso 1 1 calc R . . H26C H -0.3321 0.3248 0.1707 0.060 Uiso 1 1 calc R . . C27 C -0.1884(10) 0.4299(5) 0.1678(5) 0.052(3) Uani 1 1 d . . . H27A H -0.2342 0.4690 0.1626 0.078 Uiso 1 1 calc R . . H27B H -0.2265 0.3973 0.1335 0.078 Uiso 1 1 calc R . . H27C H -0.1148 0.4396 0.1569 0.078 Uiso 1 1 calc R . . C28 C -0.0249(10) 0.4902(5) 0.3126(7) 0.060(3) Uani 1 1 d . . . H28A H -0.0210 0.5021 0.2624 0.090 Uiso 1 1 calc R . . H28B H 0.0498 0.4771 0.3396 0.090 Uiso 1 1 calc R . . H28C H -0.0506 0.5271 0.3371 0.090 Uiso 1 1 calc R . . C29 C -0.0936(11) 0.4247(6) 0.4522(6) 0.058(3) Uani 1 1 d . . . H29A H -0.1256 0.3966 0.4846 0.087 Uiso 1 1 calc R . . H29B H -0.1152 0.4691 0.4590 0.087 Uiso 1 1 calc R . . H29C H -0.0114 0.4210 0.4642 0.087 Uiso 1 1 calc R . . C30 C -0.2758(10) 0.3162(5) 0.3976(6) 0.050(3) Uani 1 1 d . . . H30A H -0.3279 0.2863 0.3671 0.075 Uiso 1 1 calc R . . H30B H -0.3175 0.3438 0.4250 0.075 Uiso 1 1 calc R . . H30C H -0.2187 0.2920 0.4321 0.075 Uiso 1 1 calc R . . C31 C 0.1418(8) 0.2382(4) 0.0526(4) 0.027(2) Uani 1 1 d . . . C32 C 0.1114(7) 0.1712(4) 0.0604(4) 0.027(2) Uani 1 1 d . . . C33 C 0.2132(8) 0.1388(5) 0.0979(5) 0.031(2) Uani 1 1 d . . . C34 C 0.3002(8) 0.1839(5) 0.1119(5) 0.030(2) Uani 1 1 d . . . C35 C 0.2617(7) 0.2461(4) 0.0850(5) 0.024(2) Uani 1 1 d . . . C36 C 0.0702(8) 0.2868(5) -0.0005(5) 0.035(2) Uani 1 1 d . . . H36A H 0.0907 0.2845 -0.0485 0.052 Uiso 1 1 calc R . . H36B H 0.0843 0.3302 0.0194 0.052 Uiso 1 1 calc R . . H36C H -0.0098 0.2765 -0.0061 0.052 Uiso 1 1 calc R . . C37 C 0.0008(8) 0.1401(5) 0.0241(5) 0.038(2) Uani 1 1 d . . . H37A H 0.0103 0.1170 -0.0199 0.057 Uiso 1 1 calc R . . H37B H -0.0570 0.1732 0.0103 0.057 Uiso 1 1 calc R . . H37C H -0.0223 0.1100 0.0584 0.057 Uiso 1 1 calc R . . C38 C 0.2212(10) 0.0685(5) 0.1166(6) 0.046(3) Uani 1 1 d . . . H38A H 0.2981 0.0583 0.1425 0.069 Uiso 1 1 calc R . . H38B H 0.2021 0.0432 0.0714 0.069 Uiso 1 1 calc R . . H38C H 0.1686 0.0583 0.1481 0.069 Uiso 1 1 calc R . . C39 C 0.4231(8) 0.1692(5) 0.1478(5) 0.040(3) Uani 1 1 d . . . H39A H 0.4304 0.1239 0.1618 0.060 Uiso 1 1 calc R . . H39B H 0.4466 0.1960 0.1916 0.060 Uiso 1 1 calc R . . H39C H 0.4709 0.1784 0.1129 0.060 Uiso 1 1 calc R . . C40 C 0.3337(9) 0.3055(5) 0.0841(6) 0.043(3) Uani 1 1 d . . . H40A H 0.4106 0.2968 0.1110 0.065 Uiso 1 1 calc R . . H40B H 0.3021 0.3411 0.1074 0.065 Uiso 1 1 calc R . . H40C H 0.3346 0.3168 0.0333 0.065 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0203(4) 0.0180(4) 0.0162(3) 0.0003(3) 0.0014(3) -0.0007(3) In1 0.0449(5) 0.0309(4) 0.0436(4) 0.0070(3) -0.0053(3) -0.0182(3) In2 0.0273(4) 0.0324(4) 0.0343(4) 0.0015(3) 0.0002(3) 0.0077(3) In3 0.0357(5) 0.0415(5) 0.0159(3) -0.0005(3) 0.0052(3) -0.0019(3) Cl1 0.0369(16) 0.0582(18) 0.0255(12) -0.0118(11) -0.0054(11) 0.0168(12) C1 0.031(6) 0.031(6) 0.022(4) -0.004(4) 0.002(4) -0.001(4) C2 0.026(6) 0.031(5) 0.015(4) 0.004(4) -0.005(4) 0.009(4) C3 0.023(5) 0.048(6) 0.014(4) -0.007(4) -0.002(4) 0.005(4) C4 0.027(6) 0.016(5) 0.033(5) -0.004(4) -0.003(4) 0.006(4) C5 0.020(5) 0.030(6) 0.029(5) 0.000(4) -0.007(4) -0.002(4) C6 0.027(6) 0.049(7) 0.042(6) -0.007(5) 0.007(5) 0.011(5) C7 0.056(8) 0.051(7) 0.033(6) 0.027(5) -0.009(5) -0.007(6) C8 0.042(7) 0.068(8) 0.023(5) -0.007(5) 0.009(5) 0.014(5) C9 0.040(7) 0.026(6) 0.070(8) -0.005(5) -0.019(6) 0.008(5) C10 0.041(7) 0.060(8) 0.057(7) 0.011(6) 0.008(6) -0.013(6) C11 0.048(7) 0.038(6) 0.034(6) 0.013(5) -0.005(5) -0.025(5) C12 0.030(6) 0.026(6) 0.065(7) -0.005(5) 0.014(5) -0.011(4) C13 0.050(7) 0.040(7) 0.038(6) -0.006(5) 0.014(5) -0.022(5) C14 0.023(6) 0.033(6) 0.052(6) 0.010(5) 0.000(5) -0.010(4) C15 0.032(7) 0.033(6) 0.056(7) -0.014(5) 0.018(5) -0.026(5) C16 0.085(10) 0.082(10) 0.053(7) 0.032(7) -0.044(7) -0.054(8) C17 0.051(9) 0.059(10) 0.173(16) -0.035(10) 0.023(10) 0.005(7) C18 0.126(14) 0.118(13) 0.046(7) -0.034(8) 0.038(8) -0.065(11) C19 0.094(11) 0.043(8) 0.096(11) 0.024(7) -0.012(9) -0.004(7) C20 0.112(12) 0.063(9) 0.101(11) -0.037(8) 0.067(10) -0.037(8) C21 0.031(6) 0.033(6) 0.034(5) 0.000(4) 0.015(4) 0.012(4) C22 0.031(6) 0.023(5) 0.031(5) 0.007(4) 0.021(4) 0.010(4) C23 0.038(6) 0.021(5) 0.040(5) 0.001(4) 0.023(5) 0.010(4) C24 0.027(6) 0.033(6) 0.041(6) -0.011(4) 0.013(5) 0.008(4) C25 0.021(5) 0.030(5) 0.029(5) 0.000(4) 0.013(4) 0.002(4) C26 0.025(6) 0.040(7) 0.049(6) -0.008(5) -0.002(5) 0.007(5) C27 0.066(8) 0.047(7) 0.044(6) 0.012(5) 0.011(6) 0.024(6) C28 0.070(9) 0.013(6) 0.103(10) 0.002(6) 0.034(8) 0.002(5) C29 0.072(9) 0.049(8) 0.044(6) -0.021(6) -0.009(6) 0.012(6) C30 0.062(8) 0.056(8) 0.039(6) 0.009(5) 0.026(6) -0.006(6) C31 0.035(6) 0.030(5) 0.016(4) 0.005(4) 0.005(4) 0.006(4) C32 0.023(6) 0.036(6) 0.022(4) -0.006(4) 0.009(4) 0.004(4) C33 0.035(6) 0.037(6) 0.024(5) 0.001(4) 0.014(4) 0.009(5) C34 0.026(6) 0.037(6) 0.029(5) 0.000(4) 0.010(4) 0.005(4) C35 0.021(5) 0.028(5) 0.025(5) 0.000(4) 0.007(4) 0.003(4) C36 0.033(6) 0.052(7) 0.021(5) 0.010(4) 0.007(4) 0.014(5) C37 0.043(7) 0.037(6) 0.036(5) -0.014(5) 0.013(5) -0.007(5) C38 0.062(8) 0.027(6) 0.055(7) 0.008(5) 0.027(6) 0.008(5) C39 0.039(7) 0.050(7) 0.033(5) -0.005(5) 0.012(5) 0.007(5) C40 0.036(7) 0.037(6) 0.059(7) 0.005(5) 0.016(5) 0.000(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C1 2.177(9) . ? Ru1 C3 2.189(8) . ? Ru1 C4 2.192(9) . ? Ru1 C5 2.193(9) . ? Ru1 C2 2.193(8) . ? Ru1 In1 2.5573(11) . ? Ru1 In3 2.5823(12) . ? Ru1 In2 2.5849(11) . ? In1 C11 2.493(10) . ? In1 C12 2.509(9) . ? In1 C13 2.518(9) . ? In1 C15 2.523(9) . ? In1 C14 2.525(9) . ? In2 C21 2.409(9) . ? In2 C22 2.413(8) . ? In2 Cl1 2.860(2) . ? In3 C31 2.362(8) . ? In3 C32 2.470(8) . ? In3 Cl1 2.797(3) . ? C1 C2 1.418(12) . ? C1 C5 1.457(12) . ? C1 C6 1.529(12) . ? C2 C3 1.418(13) . ? C2 C7 1.506(12) . ? C3 C4 1.467(13) . ? C3 C8 1.514(12) . ? C4 C5 1.446(12) . ? C4 C9 1.499(13) . ? C5 C10 1.485(13) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C6 H6C 0.9700 . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C7 H7C 0.9700 . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C8 H8C 0.9700 . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C9 H9C 0.9700 . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C10 H10C 0.9700 . ? C11 C15 1.403(15) . ? C11 C12 1.437(14) . ? C11 C16 1.487(13) . ? C12 C13 1.421(15) . ? C12 C17 1.503(16) . ? C13 C14 1.391(14) . ? C13 C18 1.541(14) . ? C14 C15 1.433(14) . ? C14 C19 1.487(15) . ? C15 C20 1.512(14) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C16 H16C 0.9700 . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C17 H17C 0.9700 . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C18 H18C 0.9700 . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C19 H19C 0.9700 . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C20 H20C 0.9700 . ? C21 C25 1.413(12) . ? C21 C22 1.474(12) . ? C21 C26 1.478(13) . ? C22 C23 1.422(13) . ? C22 C27 1.486(12) . ? C23 C24 1.415(12) . ? C23 C28 1.524(14) . ? C24 C25 1.378(13) . ? C24 C29 1.505(13) . ? C25 C30 1.516(12) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C26 H26C 0.9700 . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C27 H27C 0.9700 . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? C28 H28C 0.9700 . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C29 H29C 0.9700 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C30 H30C 0.9700 . ? C31 C32 1.445(12) . ? C31 C35 1.448(13) . ? C31 C36 1.534(12) . ? C32 C33 1.437(13) . ? C32 C37 1.502(13) . ? C33 C34 1.384(13) . ? C33 C38 1.490(13) . ? C34 C35 1.418(12) . ? C34 C39 1.517(13) . ? C35 C40 1.504(13) . ? C36 H36A 0.9700 . ? C36 H36B 0.9700 . ? C36 H36C 0.9700 . ? C37 H37A 0.9700 . ? C37 H37B 0.9700 . ? C37 H37C 0.9700 . ? C38 H38A 0.9700 . ? C38 H38B 0.9700 . ? C38 H38C 0.9700 . ? C39 H39A 0.9700 . ? C39 H39B 0.9700 . ? C39 H39C 0.9700 . ? C40 H40A 0.9700 . ? C40 H40B 0.9700 . ? C40 H40C 0.9700 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Ru1 C3 64.0(3) . . ? C1 Ru1 C4 64.6(3) . . ? C3 Ru1 C4 39.1(3) . . ? C1 Ru1 C5 39.0(3) . . ? C3 Ru1 C5 64.8(3) . . ? C4 Ru1 C5 38.5(3) . . ? C1 Ru1 C2 37.9(3) . . ? C3 Ru1 C2 37.8(3) . . ? C4 Ru1 C2 64.2(3) . . ? C5 Ru1 C2 64.2(3) . . ? C1 Ru1 In1 109.0(2) . . ? C3 Ru1 In1 113.7(3) . . ? C4 Ru1 In1 152.8(2) . . ? C5 Ru1 In1 147.2(2) . . ? C2 Ru1 In1 94.1(2) . . ? C1 Ru1 In3 107.0(2) . . ? C3 Ru1 In3 162.2(3) . . ? C4 Ru1 In3 123.7(2) . . ? C5 Ru1 In3 98.3(2) . . ? C2 Ru1 In3 141.6(2) . . ? In1 Ru1 In3 83.50(3) . . ? C1 Ru1 In2 163.0(2) . . ? C3 Ru1 In2 103.3(2) . . ? C4 Ru1 In2 98.3(2) . . ? C5 Ru1 In2 126.6(2) . . ? C2 Ru1 In2 136.5(2) . . ? In1 Ru1 In2 86.13(4) . . ? In3 Ru1 In2 81.75(3) . . ? C11 In1 C12 33.4(3) . . ? C11 In1 C13 54.6(3) . . ? C12 In1 C13 32.8(3) . . ? C11 In1 C15 32.5(3) . . ? C12 In1 C15 54.2(3) . . ? C13 In1 C15 53.9(3) . . ? C11 In1 C14 54.5(3) . . ? C12 In1 C14 54.1(3) . . ? C13 In1 C14 32.0(3) . . ? C15 In1 C14 33.0(3) . . ? C11 In1 Ru1 158.1(2) . . ? C12 In1 Ru1 146.3(2) . . ? C13 In1 Ru1 141.3(2) . . ? C15 In1 Ru1 159.4(2) . . ? C14 In1 Ru1 147.3(2) . . ? C21 In2 C22 35.6(3) . . ? C21 In2 Ru1 160.9(2) . . ? C22 In2 Ru1 158.3(2) . . ? C21 In2 Cl1 92.7(2) . . ? C22 In2 Cl1 91.5(2) . . ? Ru1 In2 Cl1 97.75(6) . . ? C31 In3 C32 34.7(3) . . ? C31 In3 Ru1 166.2(2) . . ? C32 In3 Ru1 149.5(2) . . ? C31 In3 Cl1 92.7(2) . . ? C32 In3 Cl1 92.3(2) . . ? Ru1 In3 Cl1 99.41(5) . . ? In3 Cl1 In2 73.40(6) . . ? C2 C1 C5 108.4(7) . . ? C2 C1 C6 125.2(8) . . ? C5 C1 C6 126.0(8) . . ? C2 C1 Ru1 71.7(5) . . ? C5 C1 Ru1 71.1(5) . . ? C6 C1 Ru1 128.7(6) . . ? C1 C2 C3 109.3(8) . . ? C1 C2 C7 126.1(8) . . ? C3 C2 C7 124.2(8) . . ? C1 C2 Ru1 70.4(5) . . ? C3 C2 Ru1 71.0(5) . . ? C7 C2 Ru1 130.4(7) . . ? C2 C3 C4 107.8(7) . . ? C2 C3 C8 127.3(9) . . ? C4 C3 C8 124.5(9) . . ? C2 C3 Ru1 71.3(4) . . ? C4 C3 Ru1 70.5(5) . . ? C8 C3 Ru1 130.2(7) . . ? C5 C4 C3 107.4(7) . . ? C5 C4 C9 125.4(9) . . ? C3 C4 C9 126.9(8) . . ? C5 C4 Ru1 70.8(5) . . ? C3 C4 Ru1 70.4(5) . . ? C9 C4 Ru1 129.4(6) . . ? C4 C5 C1 107.1(7) . . ? C4 C5 C10 125.9(9) . . ? C1 C5 C10 126.7(9) . . ? C4 C5 Ru1 70.7(5) . . ? C1 C5 Ru1 69.9(5) . . ? C10 C5 Ru1 129.2(7) . . ? C1 C6 H6A 109.5 . . ? C1 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C1 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C2 C7 H7A 109.5 . . ? C2 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C2 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? C3 C8 H8A 109.5 . . ? C3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C4 C9 H9A 109.5 . . ? C4 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C4 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C5 C10 H10A 109.5 . . ? C5 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C5 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C15 C11 C12 107.7(9) . . ? C15 C11 C16 124.4(11) . . ? C12 C11 C16 127.5(12) . . ? C15 C11 In1 74.9(6) . . ? C12 C11 In1 73.9(6) . . ? C16 C11 In1 122.4(7) . . ? C13 C12 C11 107.1(9) . . ? C13 C12 C17 126.6(11) . . ? C11 C12 C17 126.2(12) . . ? C13 C12 In1 73.9(6) . . ? C11 C12 In1 72.7(5) . . ? C17 C12 In1 120.5(8) . . ? C14 C13 C12 109.0(9) . . ? C14 C13 C18 127.9(12) . . ? C12 C13 C18 122.8(11) . . ? C14 C13 In1 74.3(6) . . ? C12 C13 In1 73.2(5) . . ? C18 C13 In1 123.6(7) . . ? C13 C14 C15 107.9(9) . . ? C13 C14 C19 124.8(11) . . ? C15 C14 C19 126.9(11) . . ? C13 C14 In1 73.7(6) . . ? C15 C14 In1 73.4(5) . . ? C19 C14 In1 123.9(7) . . ? C11 C15 C14 108.2(9) . . ? C11 C15 C20 125.0(11) . . ? C14 C15 C20 126.3(11) . . ? C11 C15 In1 72.6(6) . . ? C14 C15 In1 73.6(5) . . ? C20 C15 In1 125.8(7) . . ? C11 C16 H16A 109.5 . . ? C11 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C11 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C12 C17 H17A 109.5 . . ? C12 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C12 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C13 C18 H18A 109.5 . . ? C13 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C13 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C14 C19 H19A 109.5 . . ? C14 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C14 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C15 C20 H20A 109.5 . . ? C15 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C15 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C25 C21 C22 107.0(8) . . ? C25 C21 C26 127.3(8) . . ? C22 C21 C26 124.0(8) . . ? C25 C21 In2 89.0(5) . . ? C22 C21 In2 72.3(5) . . ? C26 C21 In2 116.5(6) . . ? C23 C22 C21 105.6(7) . . ? C23 C22 C27 127.4(9) . . ? C21 C22 C27 125.3(9) . . ? C23 C22 In2 89.0(5) . . ? C21 C22 In2 72.1(5) . . ? C27 C22 In2 116.7(6) . . ? C24 C23 C22 109.0(8) . . ? C24 C23 C28 125.8(9) . . ? C22 C23 C28 125.2(8) . . ? C25 C24 C23 108.8(8) . . ? C25 C24 C29 125.9(9) . . ? C23 C24 C29 125.3(9) . . ? C24 C25 C21 109.6(8) . . ? C24 C25 C30 125.7(8) . . ? C21 C25 C30 124.7(8) . . ? C21 C26 H26A 109.5 . . ? C21 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C21 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C22 C27 H27A 109.5 . . ? C22 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C22 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C23 C28 H28A 109.5 . . ? C23 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C23 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C24 C29 H29A 109.5 . . ? C24 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C24 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C25 C30 H30A 109.5 . . ? C25 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C25 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 C35 108.5(7) . . ? C32 C31 C36 124.8(8) . . ? C35 C31 C36 124.4(8) . . ? C32 C31 In3 76.7(4) . . ? C35 C31 In3 88.7(5) . . ? C36 C31 In3 116.1(6) . . ? C33 C32 C31 106.7(8) . . ? C33 C32 C37 126.7(9) . . ? C31 C32 C37 125.7(8) . . ? C33 C32 In3 90.5(5) . . ? C31 C32 In3 68.5(4) . . ? C37 C32 In3 115.2(5) . . ? C34 C33 C32 108.0(8) . . ? C34 C33 C38 127.1(9) . . ? C32 C33 C38 124.9(9) . . ? C33 C34 C35 111.5(9) . . ? C33 C34 C39 125.1(9) . . ? C35 C34 C39 123.3(9) . . ? C34 C35 C31 105.4(8) . . ? C34 C35 C40 126.6(9) . . ? C31 C35 C40 127.8(8) . . ? C31 C36 H36A 109.5 . . ? C31 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C31 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C32 C37 H37A 109.5 . . ? C32 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? C32 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C33 C38 H38A 109.5 . . ? C33 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? C33 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C34 C39 H39A 109.5 . . ? C34 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C34 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? C35 C40 H40A 109.5 . . ? C35 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? C35 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? 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 C1 Ru1 In1 C11 -150.8(8) . . . . ? C3 Ru1 In1 C11 140.0(8) . . . . ? C4 Ru1 In1 C11 137.8(9) . . . . ? C5 Ru1 In1 C11 -140.3(8) . . . . ? C2 Ru1 In1 C11 173.5(8) . . . . ? In3 Ru1 In1 C11 -45.0(7) . . . . ? In2 Ru1 In1 C11 37.1(7) . . . . ? C1 Ru1 In1 C12 137.0(5) . . . . ? C3 Ru1 In1 C12 67.8(5) . . . . ? C4 Ru1 In1 C12 65.6(7) . . . . ? C5 Ru1 In1 C12 147.5(6) . . . . ? C2 Ru1 In1 C12 101.3(5) . . . . ? In3 Ru1 In1 C12 -117.2(5) . . . . ? In2 Ru1 In1 C12 -35.1(5) . . . . ? C1 Ru1 In1 C13 80.3(5) . . . . ? C3 Ru1 In1 C13 11.1(5) . . . . ? C4 Ru1 In1 C13 9.0(7) . . . . ? C5 Ru1 In1 C13 90.8(6) . . . . ? C2 Ru1 In1 C13 44.7(5) . . . . ? In3 Ru1 In1 C13 -173.9(4) . . . . ? In2 Ru1 In1 C13 -91.7(4) . . . . ? C1 Ru1 In1 C15 -49.7(8) . . . . ? C3 Ru1 In1 C15 -118.9(8) . . . . ? C4 Ru1 In1 C15 -121.1(9) . . . . ? C5 Ru1 In1 C15 -39.2(8) . . . . ? C2 Ru1 In1 C15 -85.4(8) . . . . ? In3 Ru1 In1 C15 56.1(7) . . . . ? In2 Ru1 In1 C15 138.2(7) . . . . ? C1 Ru1 In1 C14 24.8(5) . . . . ? C3 Ru1 In1 C14 -44.4(5) . . . . ? C4 Ru1 In1 C14 -46.6(7) . . . . ? C5 Ru1 In1 C14 35.3(6) . . . . ? C2 Ru1 In1 C14 -10.9(5) . . . . ? In3 Ru1 In1 C14 130.6(5) . . . . ? In2 Ru1 In1 C14 -147.3(5) . . . . ? C1 Ru1 In2 C21 -93.6(11) . . . . ? C3 Ru1 In2 C21 -53.4(8) . . . . ? C4 Ru1 In2 C21 -92.9(7) . . . . ? C5 Ru1 In2 C21 -121.7(8) . . . . ? C2 Ru1 In2 C21 -31.9(8) . . . . ? In1 Ru1 In2 C21 60.0(7) . . . . ? In3 Ru1 In2 C21 144.0(7) . . . . ? C1 Ru1 In2 C22 29.2(9) . . . . ? C3 Ru1 In2 C22 69.4(6) . . . . ? C4 Ru1 In2 C22 29.8(6) . . . . ? C5 Ru1 In2 C22 1.0(6) . . . . ? C2 Ru1 In2 C22 90.8(6) . . . . ? In1 Ru1 In2 C22 -177.2(5) . . . . ? In3 Ru1 In2 C22 -93.2(5) . . . . ? C1 Ru1 In2 Cl1 143.7(8) . . . . ? C3 Ru1 In2 Cl1 -176.1(3) . . . . ? C4 Ru1 In2 Cl1 144.4(2) . . . . ? C5 Ru1 In2 Cl1 115.6(3) . . . . ? C2 Ru1 In2 Cl1 -154.6(4) . . . . ? In1 Ru1 In2 Cl1 -62.69(7) . . . . ? In3 Ru1 In2 Cl1 21.29(6) . . . . ? C1 Ru1 In3 C31 -35.4(10) . . . . ? C3 Ru1 In3 C31 21.5(12) . . . . ? C4 Ru1 In3 C31 35.1(10) . . . . ? C5 Ru1 In3 C31 3.6(10) . . . . ? C2 Ru1 In3 C31 -54.9(10) . . . . ? In1 Ru1 In3 C31 -143.4(9) . . . . ? In2 Ru1 In3 C31 129.6(9) . . . . ? C1 Ru1 In3 C32 61.8(5) . . . . ? C3 Ru1 In3 C32 118.7(9) . . . . ? C4 Ru1 In3 C32 132.3(5) . . . . ? C5 Ru1 In3 C32 100.8(5) . . . . ? C2 Ru1 In3 C32 42.3(6) . . . . ? In1 Ru1 In3 C32 -46.2(4) . . . . ? In2 Ru1 In3 C32 -133.2(4) . . . . ? C1 Ru1 In3 Cl1 173.1(3) . . . . ? C3 Ru1 In3 Cl1 -130.0(8) . . . . ? C4 Ru1 In3 Cl1 -116.4(3) . . . . ? C5 Ru1 In3 Cl1 -147.9(2) . . . . ? C2 Ru1 In3 Cl1 153.6(4) . . . . ? In1 Ru1 In3 Cl1 65.11(7) . . . . ? In2 Ru1 In3 Cl1 -21.90(6) . . . . ? C31 In3 Cl1 In2 -153.1(2) . . . . ? C32 In3 Cl1 In2 172.1(2) . . . . ? Ru1 In3 Cl1 In2 20.37(6) . . . . ? C21 In2 Cl1 In3 175.7(2) . . . . ? C22 In2 Cl1 In3 140.1(2) . . . . ? Ru1 In2 Cl1 In3 -20.25(6) . . . . ? C3 Ru1 C1 C2 36.3(5) . . . . ? C4 Ru1 C1 C2 79.9(5) . . . . ? C5 Ru1 C1 C2 117.7(7) . . . . ? In1 Ru1 C1 C2 -71.4(5) . . . . ? In3 Ru1 C1 C2 -160.2(4) . . . . ? In2 Ru1 C1 C2 80.6(9) . . . . ? C3 Ru1 C1 C5 -81.4(5) . . . . ? C4 Ru1 C1 C5 -37.7(5) . . . . ? C2 Ru1 C1 C5 -117.7(7) . . . . ? In1 Ru1 C1 C5 171.0(4) . . . . ? In3 Ru1 C1 C5 82.1(5) . . . . ? In2 Ru1 C1 C5 -37.0(10) . . . . ? C3 Ru1 C1 C6 157.2(9) . . . . ? C4 Ru1 C1 C6 -159.2(9) . . . . ? C5 Ru1 C1 C6 -121.4(10) . . . . ? C2 Ru1 C1 C6 120.9(11) . . . . ? In1 Ru1 C1 C6 49.5(8) . . . . ? In3 Ru1 C1 C6 -39.3(9) . . . . ? In2 Ru1 C1 C6 -158.5(6) . . . . ? C5 C1 C2 C3 1.4(10) . . . . ? C6 C1 C2 C3 174.4(8) . . . . ? Ru1 C1 C2 C3 -60.6(6) . . . . ? C5 C1 C2 C7 -171.6(8) . . . . ? C6 C1 C2 C7 1.4(14) . . . . ? Ru1 C1 C2 C7 126.4(9) . . . . ? C5 C1 C2 Ru1 62.0(6) . . . . ? C6 C1 C2 Ru1 -125.0(9) . . . . ? C3 Ru1 C2 C1 -119.6(8) . . . . ? C4 Ru1 C2 C1 -81.2(6) . . . . ? C5 Ru1 C2 C1 -38.2(5) . . . . ? In1 Ru1 C2 C1 116.1(5) . . . . ? In3 Ru1 C2 C1 31.3(7) . . . . ? In2 Ru1 C2 C1 -155.2(4) . . . . ? C1 Ru1 C2 C3 119.6(8) . . . . ? C4 Ru1 C2 C3 38.4(5) . . . . ? C5 Ru1 C2 C3 81.4(6) . . . . ? In1 Ru1 C2 C3 -124.3(5) . . . . ? In3 Ru1 C2 C3 150.9(4) . . . . ? In2 Ru1 C2 C3 -35.6(7) . . . . ? C1 Ru1 C2 C7 -121.3(11) . . . . ? C3 Ru1 C2 C7 119.1(11) . . . . ? C4 Ru1 C2 C7 157.6(10) . . . . ? C5 Ru1 C2 C7 -159.5(10) . . . . ? In1 Ru1 C2 C7 -5.2(9) . . . . ? In3 Ru1 C2 C7 -89.9(9) . . . . ? In2 Ru1 C2 C7 83.6(9) . . . . ? C1 C2 C3 C4 -1.2(10) . . . . ? C7 C2 C3 C4 172.1(8) . . . . ? Ru1 C2 C3 C4 -61.4(6) . . . . ? C1 C2 C3 C8 -173.1(9) . . . . ? C7 C2 C3 C8 0.2(15) . . . . ? Ru1 C2 C3 C8 126.7(10) . . . . ? C1 C2 C3 Ru1 60.3(6) . . . . ? C7 C2 C3 Ru1 -126.5(9) . . . . ? C1 Ru1 C3 C2 -36.4(5) . . . . ? C4 Ru1 C3 C2 -117.5(8) . . . . ? C5 Ru1 C3 C2 -79.8(6) . . . . ? In1 Ru1 C3 C2 64.1(5) . . . . ? In3 Ru1 C3 C2 -99.4(9) . . . . ? In2 Ru1 C3 C2 155.7(5) . . . . ? C1 Ru1 C3 C4 81.1(5) . . . . ? C5 Ru1 C3 C4 37.7(5) . . . . ? C2 Ru1 C3 C4 117.5(8) . . . . ? In1 Ru1 C3 C4 -178.4(4) . . . . ? In3 Ru1 C3 C4 18.1(11) . . . . ? In2 Ru1 C3 C4 -86.8(5) . . . . ? C1 Ru1 C3 C8 -159.8(10) . . . . ? C4 Ru1 C3 C8 119.1(11) . . . . ? C5 Ru1 C3 C8 156.8(10) . . . . ? C2 Ru1 C3 C8 -123.4(12) . . . . ? In1 Ru1 C3 C8 -59.3(10) . . . . ? In3 Ru1 C3 C8 137.2(8) . . . . ? In2 Ru1 C3 C8 32.3(10) . . . . ? C2 C3 C4 C5 0.5(10) . . . . ? C8 C3 C4 C5 172.6(8) . . . . ? Ru1 C3 C4 C5 -61.4(6) . . . . ? C2 C3 C4 C9 -173.0(8) . . . . ? C8 C3 C4 C9 -0.9(15) . . . . ? Ru1 C3 C4 C9 125.1(9) . . . . ? C2 C3 C4 Ru1 61.9(6) . . . . ? C8 C3 C4 Ru1 -125.9(9) . . . . ? C1 Ru1 C4 C5 38.2(5) . . . . ? C3 Ru1 C4 C5 117.4(7) . . . . ? C2 Ru1 C4 C5 80.3(5) . . . . ? In1 Ru1 C4 C5 120.6(5) . . . . ? In3 Ru1 C4 C5 -56.0(5) . . . . ? In2 Ru1 C4 C5 -141.6(5) . . . . ? C1 Ru1 C4 C3 -79.3(5) . . . . ? C5 Ru1 C4 C3 -117.4(7) . . . . ? C2 Ru1 C4 C3 -37.1(5) . . . . ? In1 Ru1 C4 C3 3.2(8) . . . . ? In3 Ru1 C4 C3 -173.5(4) . . . . ? In2 Ru1 C4 C3 100.9(5) . . . . ? C1 Ru1 C4 C9 158.7(10) . . . . ? C3 Ru1 C4 C9 -122.1(11) . . . . ? C5 Ru1 C4 C9 120.5(11) . . . . ? C2 Ru1 C4 C9 -159.2(10) . . . . ? In1 Ru1 C4 C9 -118.9(8) . . . . ? In3 Ru1 C4 C9 64.5(9) . . . . ? In2 Ru1 C4 C9 -21.1(9) . . . . ? C3 C4 C5 C1 0.4(9) . . . . ? C9 C4 C5 C1 174.0(8) . . . . ? Ru1 C4 C5 C1 -60.8(6) . . . . ? C3 C4 C5 C10 -173.9(9) . . . . ? C9 C4 C5 C10 -0.3(15) . . . . ? Ru1 C4 C5 C10 125.0(9) . . . . ? C3 C4 C5 Ru1 61.2(6) . . . . ? C9 C4 C5 Ru1 -125.2(9) . . . . ? C2 C1 C5 C4 -1.1(9) . . . . ? C6 C1 C5 C4 -174.1(9) . . . . ? Ru1 C1 C5 C4 61.3(6) . . . . ? C2 C1 C5 C10 173.1(9) . . . . ? C6 C1 C5 C10 0.1(14) . . . . ? Ru1 C1 C5 C10 -124.5(9) . . . . ? C2 C1 C5 Ru1 -62.4(6) . . . . ? C6 C1 C5 Ru1 124.7(9) . . . . ? C1 Ru1 C5 C4 -117.4(7) . . . . ? C3 Ru1 C5 C4 -38.3(5) . . . . ? C2 Ru1 C5 C4 -80.3(5) . . . . ? In1 Ru1 C5 C4 -133.3(5) . . . . ? In3 Ru1 C5 C4 135.8(5) . . . . ? In2 Ru1 C5 C4 49.9(6) . . . . ? C3 Ru1 C5 C1 79.1(5) . . . . ? C4 Ru1 C5 C1 117.4(7) . . . . ? C2 Ru1 C5 C1 37.1(5) . . . . ? In1 Ru1 C5 C1 -15.9(7) . . . . ? In3 Ru1 C5 C1 -106.8(4) . . . . ? In2 Ru1 C5 C1 167.3(4) . . . . ? C1 Ru1 C5 C10 121.5(11) . . . . ? C3 Ru1 C5 C10 -159.3(10) . . . . ? C4 Ru1 C5 C10 -121.1(11) . . . . ? C2 Ru1 C5 C10 158.7(10) . . . . ? In1 Ru1 C5 C10 105.6(9) . . . . ? In3 Ru1 C5 C10 14.7(9) . . . . ? In2 Ru1 C5 C10 -71.2(10) . . . . ? C12 In1 C11 C15 -113.9(8) . . . . ? C13 In1 C11 C15 -76.6(6) . . . . ? C14 In1 C11 C15 -37.1(6) . . . . ? Ru1 In1 C11 C15 140.0(6) . . . . ? C13 In1 C11 C12 37.3(6) . . . . ? C15 In1 C11 C12 113.9(8) . . . . ? C14 In1 C11 C12 76.9(6) . . . . ? Ru1 In1 C11 C12 -106.1(7) . . . . ? C12 In1 C11 C16 124.6(14) . . . . ? C13 In1 C11 C16 161.9(13) . . . . ? C15 In1 C11 C16 -121.4(13) . . . . ? C14 In1 C11 C16 -158.5(12) . . . . ? Ru1 In1 C11 C16 18.6(16) . . . . ? C15 C11 C12 C13 1.5(11) . . . . ? C16 C11 C12 C13 174.8(10) . . . . ? In1 C11 C12 C13 -66.4(7) . . . . ? C15 C11 C12 C17 -176.6(10) . . . . ? C16 C11 C12 C17 -3.3(17) . . . . ? In1 C11 C12 C17 115.5(11) . . . . ? C15 C11 C12 In1 67.9(7) . . . . ? C16 C11 C12 In1 -118.8(10) . . . . ? C11 In1 C12 C13 114.3(9) . . . . ? C15 In1 C12 C13 77.1(6) . . . . ? C14 In1 C12 C13 36.1(6) . . . . ? Ru1 In1 C12 C13 -105.8(6) . . . . ? C13 In1 C12 C11 -114.3(9) . . . . ? C15 In1 C12 C11 -37.2(6) . . . . ? C14 In1 C12 C11 -78.2(6) . . . . ? Ru1 In1 C12 C11 139.9(5) . . . . ? C11 In1 C12 C17 -122.3(13) . . . . ? C13 In1 C12 C17 123.4(13) . . . . ? C15 In1 C12 C17 -159.5(12) . . . . ? C14 In1 C12 C17 159.5(12) . . . . ? Ru1 In1 C12 C17 17.6(13) . . . . ? C11 C12 C13 C14 -0.6(11) . . . . ? C17 C12 C13 C14 177.4(10) . . . . ? In1 C12 C13 C14 -66.2(7) . . . . ? C11 C12 C13 C18 -174.9(9) . . . . ? C17 C12 C13 C18 3.2(17) . . . . ? In1 C12 C13 C18 119.5(10) . . . . ? C11 C12 C13 In1 65.6(6) . . . . ? C17 C12 C13 In1 -116.3(11) . . . . ? C11 In1 C13 C14 78.0(7) . . . . ? C12 In1 C13 C14 115.9(8) . . . . ? C15 In1 C13 C14 37.7(6) . . . . ? Ru1 In1 C13 C14 -122.8(5) . . . . ? C11 In1 C13 C12 -38.0(6) . . . . ? C15 In1 C13 C12 -78.3(6) . . . . ? C14 In1 C13 C12 -115.9(8) . . . . ? Ru1 In1 C13 C12 121.2(5) . . . . ? C11 In1 C13 C18 -156.6(13) . . . . ? C12 In1 C13 C18 -118.6(13) . . . . ? C15 In1 C13 C18 163.1(13) . . . . ? C14 In1 C13 C18 125.4(14) . . . . ? Ru1 In1 C13 C18 2.6(13) . . . . ? C12 C13 C14 C15 -0.4(11) . . . . ? C18 C13 C14 C15 173.4(10) . . . . ? In1 C13 C14 C15 -66.0(6) . . . . ? C12 C13 C14 C19 -174.2(10) . . . . ? C18 C13 C14 C19 -0.3(17) . . . . ? In1 C13 C14 C19 120.3(10) . . . . ? C12 C13 C14 In1 65.6(7) . . . . ? C18 C13 C14 In1 -120.6(11) . . . . ? C11 In1 C14 C13 -78.5(7) . . . . ? C12 In1 C14 C13 -37.0(6) . . . . ? C15 In1 C14 C13 -114.9(8) . . . . ? Ru1 In1 C14 C13 103.6(6) . . . . ? C11 In1 C14 C15 36.5(6) . . . . ? C12 In1 C14 C15 77.9(6) . . . . ? C13 In1 C14 C15 114.9(8) . . . . ? Ru1 In1 C14 C15 -141.5(5) . . . . ? C11 In1 C14 C19 160.2(12) . . . . ? C12 In1 C14 C19 -158.4(11) . . . . ? C13 In1 C14 C19 -121.4(13) . . . . ? C15 In1 C14 C19 123.7(13) . . . . ? Ru1 In1 C14 C19 -17.8(13) . . . . ? C12 C11 C15 C14 -1.7(10) . . . . ? C16 C11 C15 C14 -175.3(9) . . . . ? In1 C11 C15 C14 65.5(6) . . . . ? C12 C11 C15 C20 170.9(9) . . . . ? C16 C11 C15 C20 -2.7(16) . . . . ? In1 C11 C15 C20 -121.9(10) . . . . ? C12 C11 C15 In1 -67.2(7) . . . . ? C16 C11 C15 In1 119.2(10) . . . . ? C13 C14 C15 C11 1.4(11) . . . . ? C19 C14 C15 C11 175.0(10) . . . . ? In1 C14 C15 C11 -64.8(7) . . . . ? C13 C14 C15 C20 -171.2(10) . . . . ? C19 C14 C15 C20 2.4(16) . . . . ? In1 C14 C15 C20 122.6(10) . . . . ? C13 C14 C15 In1 66.2(7) . . . . ? C19 C14 C15 In1 -120.2(10) . . . . ? C12 In1 C15 C11 38.3(6) . . . . ? C13 In1 C15 C11 79.2(6) . . . . ? C14 In1 C15 C11 115.7(8) . . . . ? Ru1 In1 C15 C11 -137.1(6) . . . . ? C11 In1 C15 C14 -115.7(8) . . . . ? C12 In1 C15 C14 -77.4(6) . . . . ? C13 In1 C15 C14 -36.5(6) . . . . ? Ru1 In1 C15 C14 107.2(7) . . . . ? C11 In1 C15 C20 121.0(13) . . . . ? C12 In1 C15 C20 159.3(13) . . . . ? C13 In1 C15 C20 -159.8(13) . . . . ? C14 In1 C15 C20 -123.3(14) . . . . ? Ru1 In1 C15 C20 -16.1(16) . . . . ? C22 In2 C21 C25 -108.2(8) . . . . ? Ru1 In2 C21 C25 39.6(11) . . . . ? Cl1 In2 C21 C25 163.0(5) . . . . ? Ru1 In2 C21 C22 147.8(6) . . . . ? Cl1 In2 C21 C22 -88.8(5) . . . . ? C22 In2 C21 C26 119.8(9) . . . . ? Ru1 In2 C21 C26 -92.4(9) . . . . ? Cl1 In2 C21 C26 31.0(7) . . . . ? C25 C21 C22 C23 -0.4(10) . . . . ? C26 C21 C22 C23 165.8(8) . . . . ? In2 C21 C22 C23 -83.7(6) . . . . ? C25 C21 C22 C27 -166.2(8) . . . . ? C26 C21 C22 C27 0.0(14) . . . . ? In2 C21 C22 C27 110.5(8) . . . . ? C25 C21 C22 In2 83.3(6) . . . . ? C26 C21 C22 In2 -110.5(8) . . . . ? C21 In2 C22 C23 106.8(7) . . . . ? Ru1 In2 C22 C23 -45.1(8) . . . . ? Cl1 In2 C22 C23 -160.7(5) . . . . ? Ru1 In2 C22 C21 -151.8(5) . . . . ? Cl1 In2 C22 C21 92.6(5) . . . . ? C21 In2 C22 C27 -121.1(10) . . . . ? Ru1 In2 C22 C27 87.1(10) . . . . ? Cl1 In2 C22 C27 -28.5(8) . . . . ? C21 C22 C23 C24 -0.1(10) . . . . ? C27 C22 C23 C24 165.2(9) . . . . ? In2 C22 C23 C24 -71.2(7) . . . . ? C21 C22 C23 C28 -177.5(8) . . . . ? C27 C22 C23 C28 -12.1(15) . . . . ? In2 C22 C23 C28 111.4(9) . . . . ? C22 C23 C24 C25 0.6(10) . . . . ? C28 C23 C24 C25 178.0(9) . . . . ? C22 C23 C24 C29 -176.4(9) . . . . ? C28 C23 C24 C29 0.9(15) . . . . ? C23 C24 C25 C21 -0.9(10) . . . . ? C29 C24 C25 C21 176.1(9) . . . . ? C23 C24 C25 C30 -177.9(9) . . . . ? C29 C24 C25 C30 -0.8(16) . . . . ? C22 C21 C25 C24 0.8(10) . . . . ? C26 C21 C25 C24 -164.8(9) . . . . ? In2 C21 C25 C24 72.0(7) . . . . ? C22 C21 C25 C30 177.8(9) . . . . ? C26 C21 C25 C30 12.2(15) . . . . ? In2 C21 C25 C30 -111.0(9) . . . . ? Ru1 In3 C31 C32 117.9(9) . . . . ? Cl1 In3 C31 C32 -90.2(5) . . . . ? C32 In3 C31 C35 -109.3(7) . . . . ? Ru1 In3 C31 C35 8.6(13) . . . . ? Cl1 In3 C31 C35 160.5(5) . . . . ? C32 In3 C31 C36 122.5(10) . . . . ? Ru1 In3 C31 C36 -119.6(9) . . . . ? Cl1 In3 C31 C36 32.3(7) . . . . ? C35 C31 C32 C33 0.3(9) . . . . ? C36 C31 C32 C33 163.5(8) . . . . ? In3 C31 C32 C33 -83.8(6) . . . . ? C35 C31 C32 C37 -169.7(7) . . . . ? C36 C31 C32 C37 -6.5(13) . . . . ? In3 C31 C32 C37 106.2(8) . . . . ? C35 C31 C32 In3 84.1(6) . . . . ? C36 C31 C32 In3 -112.7(8) . . . . ? C31 In3 C32 C33 107.7(8) . . . . ? Ru1 In3 C32 C33 -47.8(8) . . . . ? Cl1 In3 C32 C33 -160.8(5) . . . . ? Ru1 In3 C32 C31 -155.5(4) . . . . ? Cl1 In3 C32 C31 91.4(5) . . . . ? C31 In3 C32 C37 -120.6(9) . . . . ? Ru1 In3 C32 C37 83.9(8) . . . . ? Cl1 In3 C32 C37 -29.2(7) . . . . ? C31 C32 C33 C34 0.1(9) . . . . ? C37 C32 C33 C34 169.9(8) . . . . ? In3 C32 C33 C34 -67.7(6) . . . . ? C31 C32 C33 C38 -179.2(8) . . . . ? C37 C32 C33 C38 -9.3(13) . . . . ? In3 C32 C33 C38 113.1(8) . . . . ? C32 C33 C34 C35 -0.4(10) . . . . ? C38 C33 C34 C35 178.8(8) . . . . ? C32 C33 C34 C39 -177.3(7) . . . . ? C38 C33 C34 C39 1.9(14) . . . . ? C33 C34 C35 C31 0.5(9) . . . . ? C39 C34 C35 C31 177.5(7) . . . . ? C33 C34 C35 C40 -174.3(8) . . . . ? C39 C34 C35 C40 2.7(13) . . . . ? C32 C31 C35 C34 -0.5(9) . . . . ? C36 C31 C35 C34 -163.8(8) . . . . ? In3 C31 C35 C34 75.1(6) . . . . ? C32 C31 C35 C40 174.2(8) . . . . ? C36 C31 C35 C40 10.9(14) . . . . ? In3 C31 C35 C40 -110.2(8) . . . . ? _diffrn_measured_fraction_theta_max 0.976 _diffrn_reflns_theta_full 25.22 _diffrn_measured_fraction_theta_full 0.976 _refine_diff_density_max 1.427 _refine_diff_density_min -1.483 _refine_diff_density_rms 0.188 loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons 1 0.000 0.000 0.000 13.4 1.4 2 0.000 0.500 0.000 217.1 88.6 3 0.500 0.000 0.500 217.0 92.0 4 0.500 0.500 0.500 13.4 1.4 #=================================================END data_7 _database_code_depnum_ccdc_archive 'CCDC 246344' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H96 Cl In3 Ru Si9' _chemical_formula_weight 1310.96 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 14.971(3) _cell_length_b 18.608(4) _cell_length_c 21.868(4) _cell_angle_alpha 90.00 _cell_angle_beta 92.57(3) _cell_angle_gamma 90.00 _cell_volume 6086(2) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 7761 _cell_measurement_theta_min 1.44 _cell_measurement_theta_max 25.06 _exptl_crystal_description prisms _exptl_crystal_colour orange _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.431 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2680 _exptl_absorpt_coefficient_mu 1.612 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.218 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD 1000' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 29655 _diffrn_reflns_av_R_equivalents 0.0480 _diffrn_reflns_av_sigmaI/netI 0.0596 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.44 _diffrn_reflns_theta_max 25.06 _reflns_number_total 10670 _reflns_number_gt 7761 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+0.0398P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10670 _refine_ls_number_parameters 487 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0598 _refine_ls_R_factor_gt 0.0346 _refine_ls_wR_factor_ref 0.0728 _refine_ls_wR_factor_gt 0.0648 _refine_ls_goodness_of_fit_ref 1.021 _refine_ls_restrained_S_all 1.021 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.92889(2) 0.775550(19) 0.187272(15) 0.01862(9) Uani 1 1 d . . . In1 In 0.80366(2) 0.693779(17) 0.140611(14) 0.02059(8) Uani 1 1 d . . . In2 In 1.00048(2) 0.653756(17) 0.219082(14) 0.02167(8) Uani 1 1 d . . . In3 In 1.01118(2) 0.763294(17) 0.090324(13) 0.02251(8) Uani 1 1 d . . . Cl1 Cl 0.88987(9) 0.56754(7) 0.15284(7) 0.0443(4) Uani 1 1 d . . . Si1 Si 0.58681(10) 0.72974(9) 0.10524(9) 0.0485(4) Uani 1 1 d . . . Si2 Si 0.63477(10) 0.57655(8) 0.15158(6) 0.0358(3) Uani 1 1 d . . . Si3 Si 0.68482(10) 0.62568(8) 0.02058(6) 0.0358(4) Uani 1 1 d . . . Si4 Si 1.02977(10) 0.56033(8) 0.34411(6) 0.0331(3) Uani 1 1 d . . . Si5 Si 1.20267(9) 0.60551(8) 0.27763(7) 0.0369(4) Uani 1 1 d . . . Si6 Si 1.08486(10) 0.48144(7) 0.22564(6) 0.0325(3) Uani 1 1 d . . . Si7 Si 1.18508(10) 0.83102(8) 0.02254(7) 0.0383(4) Uani 1 1 d . . . Si8 Si 1.00383(11) 0.80903(9) -0.05324(6) 0.0408(4) Uani 1 1 d . . . Si9 Si 1.12265(9) 0.67620(7) -0.01434(6) 0.0281(3) Uani 1 1 d . . . C1 C 0.8347(3) 0.8467(2) 0.2347(2) 0.0277(11) Uani 1 1 d . . . C2 C 0.9023(3) 0.8228(2) 0.2775(2) 0.0283(11) Uani 1 1 d . . . C3 C 0.9857(3) 0.8502(3) 0.2597(2) 0.0298(11) Uani 1 1 d . . . C4 C 0.9698(3) 0.8897(3) 0.2048(2) 0.0319(12) Uani 1 1 d . . . C5 C 0.8771(3) 0.8884(2) 0.1889(2) 0.0282(11) Uani 1 1 d . . . C6 C 0.7362(3) 0.8422(3) 0.2431(3) 0.0494(15) Uani 1 1 d . . . H6A H 0.7173 0.8833 0.2666 0.074 Uiso 1 1 calc R . . H6B H 0.7229 0.7983 0.2648 0.074 Uiso 1 1 calc R . . H6C H 0.7046 0.8420 0.2034 0.074 Uiso 1 1 calc R . . C7 C 0.8843(4) 0.7868(3) 0.3377(2) 0.0503(16) Uani 1 1 d . . . H7A H 0.8758 0.8231 0.3686 0.075 Uiso 1 1 calc R . . H7B H 0.9348 0.7566 0.3501 0.075 Uiso 1 1 calc R . . H7C H 0.8309 0.7575 0.3329 0.075 Uiso 1 1 calc R . . C8 C 1.0703(4) 0.8511(3) 0.2990(3) 0.0547(17) Uani 1 1 d . . . H8A H 1.0709 0.8933 0.3251 0.082 Uiso 1 1 calc R . . H8B H 1.1213 0.8526 0.2731 0.082 Uiso 1 1 calc R . . H8C H 1.0734 0.8082 0.3241 0.082 Uiso 1 1 calc R . . C9 C 1.0370(4) 0.9375(3) 0.1770(3) 0.0575(17) Uani 1 1 d . . . H9A H 1.0360 0.9843 0.1965 0.086 Uiso 1 1 calc R . . H9B H 1.0225 0.9427 0.1336 0.086 Uiso 1 1 calc R . . H9C H 1.0960 0.9165 0.1829 0.086 Uiso 1 1 calc R . . C10 C 0.8299(4) 0.9343(3) 0.1407(2) 0.0487(15) Uani 1 1 d . . . H10A H 0.8172 0.9811 0.1578 0.073 Uiso 1 1 calc R . . H10B H 0.7743 0.9113 0.1271 0.073 Uiso 1 1 calc R . . H10C H 0.8678 0.9400 0.1062 0.073 Uiso 1 1 calc R . . C11 C 0.6698(3) 0.6538(2) 0.1029(2) 0.0245(10) Uani 1 1 d . . . C12 C 1.0853(3) 0.5698(2) 0.26871(19) 0.0241(10) Uani 1 1 d . . . C13 C 1.0863(3) 0.7703(2) 0.00580(18) 0.0242(10) Uani 1 1 d . . . C14 C 0.5425(4) 0.7440(4) 0.1840(4) 0.083(3) Uani 1 1 d . . . H14A H 0.5162 0.6996 0.1980 0.124 Uiso 1 1 calc R . . H14B H 0.4975 0.7815 0.1821 0.124 Uiso 1 1 calc R . . H14C H 0.5912 0.7581 0.2122 0.124 Uiso 1 1 calc R . . C15 C 0.6358(4) 0.8177(3) 0.0798(3) 0.067(2) Uani 1 1 d . . . H15A H 0.6592 0.8120 0.0395 0.101 Uiso 1 1 calc R . . H15B H 0.6838 0.8320 0.1086 0.101 Uiso 1 1 calc R . . H15C H 0.5897 0.8544 0.0784 0.101 Uiso 1 1 calc R . . C16 C 0.4836(4) 0.7171(3) 0.0537(4) 0.076(2) Uani 1 1 d . . . H16A H 0.4541 0.6727 0.0643 0.115 Uiso 1 1 calc R . . H16B H 0.5004 0.7150 0.0114 0.115 Uiso 1 1 calc R . . H16C H 0.4432 0.7572 0.0589 0.115 Uiso 1 1 calc R . . C17 C 0.5108(4) 0.5607(3) 0.1491(3) 0.0576(17) Uani 1 1 d . . . H17A H 0.4897 0.5517 0.1072 0.086 Uiso 1 1 calc R . . H17B H 0.4809 0.6028 0.1646 0.086 Uiso 1 1 calc R . . H17C H 0.4976 0.5194 0.1742 0.086 Uiso 1 1 calc R . . C18 C 0.6800(4) 0.4864(3) 0.1314(3) 0.0550(17) Uani 1 1 d . . . H18A H 0.7447 0.4886 0.1314 0.083 Uiso 1 1 calc R . . H18B H 0.6565 0.4725 0.0910 0.083 Uiso 1 1 calc R . . H18C H 0.6622 0.4512 0.1612 0.083 Uiso 1 1 calc R . . C19 C 0.6707(4) 0.5925(4) 0.2339(2) 0.0628(19) Uani 1 1 d . . . H19A H 0.7347 0.6009 0.2370 0.094 Uiso 1 1 calc R . . H19B H 0.6563 0.5507 0.2580 0.094 Uiso 1 1 calc R . . H19C H 0.6398 0.6342 0.2490 0.094 Uiso 1 1 calc R . . C20 C 0.6926(4) 0.7051(4) -0.0324(3) 0.068(2) Uani 1 1 d . . . H20A H 0.7403 0.7367 -0.0175 0.102 Uiso 1 1 calc R . . H20B H 0.6364 0.7311 -0.0338 0.102 Uiso 1 1 calc R . . H20C H 0.7052 0.6884 -0.0731 0.102 Uiso 1 1 calc R . . C21 C 0.7881(4) 0.5731(3) 0.0104(2) 0.0547(17) Uani 1 1 d . . . H21A H 0.7878 0.5308 0.0363 0.082 Uiso 1 1 calc R . . H21B H 0.8398 0.6025 0.0217 0.082 Uiso 1 1 calc R . . H21C H 0.7908 0.5586 -0.0321 0.082 Uiso 1 1 calc R . . C22 C 0.5909(4) 0.5680(4) -0.0120(3) 0.0618(18) Uani 1 1 d . . . H22A H 0.5843 0.5260 0.0136 0.093 Uiso 1 1 calc R . . H22B H 0.6043 0.5530 -0.0531 0.093 Uiso 1 1 calc R . . H22C H 0.5357 0.5954 -0.0135 0.093 Uiso 1 1 calc R . . C23 C 0.9047(3) 0.5601(3) 0.3334(2) 0.0480(15) Uani 1 1 d . . . H23A H 0.8856 0.6022 0.3102 0.072 Uiso 1 1 calc R . . H23B H 0.8783 0.5608 0.3731 0.072 Uiso 1 1 calc R . . H23C H 0.8857 0.5171 0.3114 0.072 Uiso 1 1 calc R . . C24 C 1.0633(4) 0.4782(3) 0.3894(2) 0.0567(17) Uani 1 1 d . . . H24A H 1.1279 0.4770 0.3956 0.085 Uiso 1 1 calc R . . H24B H 1.0434 0.4355 0.3673 0.085 Uiso 1 1 calc R . . H24C H 1.0361 0.4796 0.4288 0.085 Uiso 1 1 calc R . . C25 C 1.0545(4) 0.6374(3) 0.3975(2) 0.0543(16) Uani 1 1 d . . . H25A H 1.0389 0.6822 0.3771 0.081 Uiso 1 1 calc R . . H25B H 1.1177 0.6376 0.4095 0.081 Uiso 1 1 calc R . . H25C H 1.0198 0.6322 0.4337 0.081 Uiso 1 1 calc R . . C26 C 1.2701(4) 0.5924(4) 0.2088(3) 0.070(2) Uani 1 1 d . . . H26A H 1.2713 0.5418 0.1984 0.105 Uiso 1 1 calc R . . H26B H 1.3307 0.6092 0.2176 0.105 Uiso 1 1 calc R . . H26C H 1.2435 0.6194 0.1747 0.105 Uiso 1 1 calc R . . C27 C 1.2090(4) 0.7053(3) 0.2893(3) 0.0631(19) Uani 1 1 d . . . H27A H 1.1752 0.7185 0.3244 0.095 Uiso 1 1 calc R . . H27B H 1.1842 0.7295 0.2531 0.095 Uiso 1 1 calc R . . H27C H 1.2710 0.7195 0.2964 0.095 Uiso 1 1 calc R . . C28 C 1.2694(4) 0.5649(3) 0.3437(3) 0.0542(17) Uani 1 1 d . . . H28A H 1.2691 0.5130 0.3398 0.081 Uiso 1 1 calc R . . H28B H 1.2431 0.5785 0.3817 0.081 Uiso 1 1 calc R . . H28C H 1.3305 0.5823 0.3436 0.081 Uiso 1 1 calc R . . C29 C 1.1785(4) 0.4196(3) 0.2529(3) 0.0621(19) Uani 1 1 d . . . H29A H 1.1754 0.3753 0.2295 0.093 Uiso 1 1 calc R . . H29B H 1.1728 0.4090 0.2959 0.093 Uiso 1 1 calc R . . H29C H 1.2356 0.4429 0.2472 0.093 Uiso 1 1 calc R . . C30 C 0.9830(4) 0.4254(3) 0.2346(3) 0.0492(15) Uani 1 1 d . . . H30A H 0.9304 0.4527 0.2215 0.074 Uiso 1 1 calc R . . H30B H 0.9789 0.4119 0.2772 0.074 Uiso 1 1 calc R . . H30C H 0.9869 0.3824 0.2097 0.074 Uiso 1 1 calc R . . C31 C 1.0986(4) 0.4924(3) 0.1415(2) 0.0548(17) Uani 1 1 d . . . H31A H 1.0519 0.5236 0.1245 0.082 Uiso 1 1 calc R . . H31B H 1.0945 0.4458 0.1217 0.082 Uiso 1 1 calc R . . H31C H 1.1566 0.5135 0.1347 0.082 Uiso 1 1 calc R . . C32 C 1.2355(4) 0.8134(3) 0.1013(2) 0.0528(16) Uani 1 1 d . . . H32A H 1.2862 0.8451 0.1091 0.079 Uiso 1 1 calc R . . H32B H 1.2553 0.7639 0.1042 0.079 Uiso 1 1 calc R . . H32C H 1.1911 0.8222 0.1314 0.079 Uiso 1 1 calc R . . C33 C 1.2754(4) 0.8224(3) -0.0334(3) 0.0560(17) Uani 1 1 d . . . H33A H 1.2508 0.8314 -0.0744 0.084 Uiso 1 1 calc R . . H33B H 1.3001 0.7742 -0.0312 0.084 Uiso 1 1 calc R . . H33C H 1.3223 0.8570 -0.0234 0.084 Uiso 1 1 calc R . . C34 C 1.1563(5) 0.9290(3) 0.0212(3) 0.069(2) Uani 1 1 d . . . H34A H 1.1299 0.9416 -0.0186 0.103 Uiso 1 1 calc R . . H34B H 1.2102 0.9571 0.0292 0.103 Uiso 1 1 calc R . . H34C H 1.1140 0.9391 0.0525 0.103 Uiso 1 1 calc R . . C35 C 1.0566(4) 0.8502(3) -0.1209(2) 0.0620(19) Uani 1 1 d . . . H35A H 1.0933 0.8147 -0.1403 0.093 Uiso 1 1 calc R . . H35B H 1.0936 0.8905 -0.1075 0.093 Uiso 1 1 calc R . . H35C H 1.0103 0.8668 -0.1499 0.093 Uiso 1 1 calc R . . C36 C 0.9230(4) 0.7408(4) -0.0857(3) 0.0625(18) Uani 1 1 d . . . H36A H 0.9556 0.7026 -0.1051 0.094 Uiso 1 1 calc R . . H36B H 0.8828 0.7636 -0.1159 0.094 Uiso 1 1 calc R . . H36C H 0.8888 0.7209 -0.0531 0.094 Uiso 1 1 calc R . . C37 C 0.9327(4) 0.8800(4) -0.0173(3) 0.069(2) Uani 1 1 d . . . H37A H 0.9709 0.9173 0.0004 0.104 Uiso 1 1 calc R . . H37B H 0.8985 0.8583 0.0145 0.104 Uiso 1 1 calc R . . H37C H 0.8922 0.9007 -0.0484 0.104 Uiso 1 1 calc R . . C38 C 1.1492(4) 0.6675(3) -0.0969(2) 0.0479(15) Uani 1 1 d . . . H38A H 1.1947 0.7023 -0.1066 0.072 Uiso 1 1 calc R . . H38B H 1.0956 0.6762 -0.1224 0.072 Uiso 1 1 calc R . . H38C H 1.1711 0.6194 -0.1045 0.072 Uiso 1 1 calc R . . C39 C 1.2233(4) 0.6461(3) 0.0314(3) 0.0512(16) Uani 1 1 d . . . H39A H 1.2719 0.6795 0.0258 0.077 Uiso 1 1 calc R . . H39B H 1.2407 0.5986 0.0179 0.077 Uiso 1 1 calc R . . H39C H 1.2099 0.6443 0.0743 0.077 Uiso 1 1 calc R . . C40 C 1.0346(3) 0.6074(3) 0.0011(2) 0.0427(14) Uani 1 1 d . . . H40A H 1.0196 0.6099 0.0437 0.064 Uiso 1 1 calc R . . H40B H 1.0570 0.5598 -0.0078 0.064 Uiso 1 1 calc R . . H40C H 0.9815 0.6169 -0.0248 0.064 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.02020(19) 0.0179(2) 0.01788(17) -0.00251(15) 0.00192(14) 0.00024(16) In1 0.01957(17) 0.01966(18) 0.02234(16) -0.00214(14) -0.00115(13) -0.00002(14) In2 0.02361(18) 0.02046(18) 0.02059(16) -0.00039(14) -0.00289(13) 0.00270(14) In3 0.02611(18) 0.02330(18) 0.01851(16) -0.00311(14) 0.00535(13) -0.00079(15) Cl1 0.0407(8) 0.0246(7) 0.0650(9) -0.0097(6) -0.0268(7) 0.0075(6) Si1 0.0294(8) 0.0333(9) 0.0814(12) -0.0078(9) -0.0125(8) 0.0068(7) Si2 0.0367(8) 0.0361(9) 0.0352(8) 0.0040(7) 0.0076(7) -0.0074(7) Si3 0.0338(8) 0.0483(10) 0.0247(7) -0.0010(7) -0.0027(6) -0.0094(7) Si4 0.0375(8) 0.0383(9) 0.0234(7) 0.0022(6) -0.0003(6) 0.0046(7) Si5 0.0257(8) 0.0425(9) 0.0414(8) 0.0022(7) -0.0097(6) 0.0022(7) Si6 0.0403(9) 0.0271(8) 0.0294(7) -0.0040(6) -0.0070(6) 0.0111(7) Si7 0.0456(9) 0.0339(9) 0.0363(8) -0.0070(7) 0.0119(7) -0.0128(7) Si8 0.0506(10) 0.0467(10) 0.0254(7) 0.0065(7) 0.0035(7) 0.0139(8) Si9 0.0290(7) 0.0285(8) 0.0271(7) -0.0077(6) 0.0049(6) -0.0009(6) C1 0.027(3) 0.024(3) 0.033(3) -0.013(2) 0.006(2) 0.005(2) C2 0.042(3) 0.020(3) 0.023(2) -0.010(2) 0.004(2) 0.005(2) C3 0.030(3) 0.026(3) 0.033(3) -0.015(2) -0.003(2) 0.002(2) C4 0.033(3) 0.022(3) 0.042(3) -0.010(2) 0.013(2) -0.004(2) C5 0.037(3) 0.021(3) 0.027(3) -0.010(2) 0.002(2) 0.006(2) C6 0.038(3) 0.057(4) 0.054(4) -0.020(3) 0.008(3) 0.004(3) C7 0.084(5) 0.044(4) 0.024(3) 0.001(2) 0.018(3) 0.023(3) C8 0.051(4) 0.045(4) 0.065(4) -0.030(3) -0.020(3) 0.008(3) C9 0.066(4) 0.031(3) 0.078(5) -0.012(3) 0.029(4) -0.014(3) C10 0.075(4) 0.035(3) 0.035(3) -0.004(3) -0.008(3) 0.016(3) C11 0.022(2) 0.022(3) 0.029(2) 0.002(2) -0.004(2) -0.002(2) C12 0.024(2) 0.029(3) 0.019(2) 0.000(2) -0.0032(19) 0.005(2) C13 0.027(3) 0.029(3) 0.017(2) 0.000(2) 0.0068(19) 0.000(2) C14 0.047(4) 0.069(5) 0.136(7) -0.052(5) 0.035(4) -0.002(4) C15 0.070(5) 0.029(3) 0.099(5) 0.007(3) -0.035(4) 0.005(3) C16 0.034(4) 0.065(5) 0.127(6) -0.003(4) -0.032(4) 0.016(3) C17 0.045(4) 0.059(4) 0.071(4) -0.003(3) 0.022(3) -0.020(3) C18 0.062(4) 0.023(3) 0.080(5) 0.009(3) -0.009(3) -0.006(3) C19 0.076(5) 0.083(5) 0.030(3) 0.013(3) 0.010(3) -0.014(4) C20 0.067(4) 0.088(5) 0.048(4) 0.033(4) -0.012(3) -0.010(4) C21 0.051(4) 0.072(4) 0.042(3) -0.023(3) 0.015(3) -0.011(3) C22 0.055(4) 0.083(5) 0.047(4) -0.013(3) -0.009(3) -0.028(4) C23 0.040(3) 0.065(4) 0.040(3) 0.002(3) 0.009(3) -0.001(3) C24 0.065(4) 0.066(4) 0.038(3) 0.019(3) 0.002(3) 0.012(4) C25 0.059(4) 0.065(4) 0.038(3) -0.012(3) -0.011(3) 0.009(3) C26 0.041(4) 0.106(6) 0.065(4) -0.003(4) 0.012(3) -0.014(4) C27 0.053(4) 0.049(4) 0.085(5) 0.006(4) -0.027(4) -0.013(3) C28 0.040(3) 0.062(4) 0.059(4) -0.004(3) -0.022(3) 0.011(3) C29 0.079(5) 0.045(4) 0.059(4) -0.007(3) -0.020(4) 0.028(3) C30 0.064(4) 0.029(3) 0.053(4) 0.001(3) -0.013(3) -0.005(3) C31 0.059(4) 0.071(4) 0.034(3) -0.012(3) 0.000(3) 0.014(3) C32 0.050(4) 0.061(4) 0.047(3) -0.014(3) -0.004(3) -0.012(3) C33 0.041(3) 0.069(4) 0.059(4) -0.011(3) 0.022(3) -0.028(3) C34 0.107(6) 0.038(4) 0.061(4) -0.009(3) 0.016(4) -0.014(4) C35 0.091(5) 0.065(4) 0.031(3) 0.020(3) 0.006(3) 0.011(4) C36 0.045(4) 0.094(5) 0.048(4) 0.005(4) -0.012(3) 0.002(4) C37 0.079(5) 0.077(5) 0.052(4) 0.015(4) 0.002(3) 0.047(4) C38 0.050(4) 0.053(4) 0.041(3) -0.023(3) 0.013(3) -0.006(3) C39 0.043(3) 0.045(4) 0.065(4) -0.005(3) -0.005(3) 0.005(3) C40 0.047(3) 0.033(3) 0.048(3) -0.008(3) 0.004(3) -0.007(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C2 2.212(4) . ? Ru1 C1 2.225(4) . ? Ru1 C5 2.238(5) . ? Ru1 C4 2.239(5) . ? Ru1 C3 2.244(4) . ? Ru1 In3 2.5097(8) . ? Ru1 In1 2.5884(7) . ? Ru1 In2 2.5888(6) . ? In1 C11 2.258(4) . ? In1 Cl1 2.6877(13) . ? In2 C12 2.261(4) . ? In2 Cl1 2.6831(14) . ? In3 C13 2.210(4) . ? Si1 C11 1.884(5) . ? Si1 C16 1.886(6) . ? Si1 C15 1.888(6) . ? Si1 C14 1.891(7) . ? Si2 C18 1.870(6) . ? Si2 C11 1.877(5) . ? Si2 C17 1.878(5) . ? Si2 C19 1.879(6) . ? Si3 C21 1.852(6) . ? Si3 C22 1.883(5) . ? Si3 C20 1.884(6) . ? Si3 C11 1.898(5) . ? Si4 C23 1.876(5) . ? Si4 C25 1.876(5) . ? Si4 C24 1.878(5) . ? Si4 C12 1.888(5) . ? Si5 C26 1.865(6) . ? Si5 C27 1.876(6) . ? Si5 C28 1.878(5) . ? Si5 C12 1.880(5) . ? Si6 C30 1.865(6) . ? Si6 C31 1.872(5) . ? Si6 C29 1.889(5) . ? Si6 C12 1.894(5) . ? Si7 C33 1.870(5) . ? Si7 C34 1.874(6) . ? Si7 C32 1.879(5) . ? Si7 C13 1.884(5) . ? Si8 C36 1.872(6) . ? Si8 C35 1.872(5) . ? Si8 C13 1.889(5) . ? Si8 C37 1.889(6) . ? Si9 C39 1.857(5) . ? Si9 C38 1.873(5) . ? Si9 C40 1.880(5) . ? Si9 C13 1.892(5) . ? C1 C2 1.421(6) . ? C1 C5 1.437(7) . ? C1 C6 1.497(7) . ? C2 C3 1.419(7) . ? C2 C7 1.511(6) . ? C3 C4 1.419(7) . ? C3 C8 1.498(7) . ? C4 C5 1.416(7) . ? C4 C9 1.492(7) . ? C5 C10 1.507(6) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C2 Ru1 C1 37.34(17) . . ? C2 Ru1 C5 62.45(17) . . ? C1 Ru1 C5 37.55(17) . . ? C2 Ru1 C4 61.92(17) . . ? C1 Ru1 C4 61.95(17) . . ? C5 Ru1 C4 36.86(17) . . ? C2 Ru1 C3 37.12(17) . . ? C1 Ru1 C3 62.05(17) . . ? C5 Ru1 C3 61.94(17) . . ? C4 Ru1 C3 36.91(17) . . ? C2 Ru1 In3 154.72(13) . . ? C1 Ru1 In3 142.47(13) . . ? C5 Ru1 In3 106.36(12) . . ? C4 Ru1 In3 95.15(12) . . ? C3 Ru1 In3 117.86(13) . . ? C2 Ru1 In1 115.42(13) . . ? C1 Ru1 In1 94.04(12) . . ? C5 Ru1 In1 108.19(12) . . ? C4 Ru1 In1 144.38(13) . . ? C3 Ru1 In1 152.45(13) . . ? In3 Ru1 In1 89.31(2) . . ? C2 Ru1 In2 101.35(12) . . ? C1 Ru1 In2 131.27(13) . . ? C5 Ru1 In2 162.99(12) . . ? C4 Ru1 In2 132.67(13) . . ? C3 Ru1 In2 102.28(13) . . ? In3 Ru1 In2 86.241(17) . . ? In1 Ru1 In2 82.83(2) . . ? C11 In1 Ru1 162.32(11) . . ? C11 In1 Cl1 99.35(12) . . ? Ru1 In1 Cl1 97.96(3) . . ? C12 In2 Ru1 162.03(11) . . ? C12 In2 Cl1 99.54(12) . . ? Ru1 In2 Cl1 98.07(3) . . ? C13 In3 Ru1 171.33(12) . . ? In2 Cl1 In1 79.23(4) . . ? C11 Si1 C16 114.5(3) . . ? C11 Si1 C15 112.2(3) . . ? C16 Si1 C15 104.5(3) . . ? C11 Si1 C14 112.8(3) . . ? C16 Si1 C14 104.5(3) . . ? C15 Si1 C14 107.6(3) . . ? C18 Si2 C11 116.1(2) . . ? C18 Si2 C17 102.7(3) . . ? C11 Si2 C17 113.9(2) . . ? C18 Si2 C19 106.1(3) . . ? C11 Si2 C19 110.3(2) . . ? C17 Si2 C19 107.1(3) . . ? C21 Si3 C22 105.5(3) . . ? C21 Si3 C20 105.4(3) . . ? C22 Si3 C20 106.2(3) . . ? C21 Si3 C11 113.2(2) . . ? C22 Si3 C11 113.5(2) . . ? C20 Si3 C11 112.4(3) . . ? C23 Si4 C25 104.3(3) . . ? C23 Si4 C24 107.8(3) . . ? C25 Si4 C24 104.6(3) . . ? C23 Si4 C12 111.6(2) . . ? C25 Si4 C12 113.0(3) . . ? C24 Si4 C12 114.7(2) . . ? C26 Si5 C27 102.3(3) . . ? C26 Si5 C28 106.2(3) . . ? C27 Si5 C28 105.8(3) . . ? C26 Si5 C12 114.0(2) . . ? C27 Si5 C12 113.9(2) . . ? C28 Si5 C12 113.6(2) . . ? C30 Si6 C31 106.9(3) . . ? C30 Si6 C29 103.0(3) . . ? C31 Si6 C29 105.3(3) . . ? C30 Si6 C12 114.7(2) . . ? C31 Si6 C12 113.4(2) . . ? C29 Si6 C12 112.7(2) . . ? C33 Si7 C34 104.3(3) . . ? C33 Si7 C32 108.2(3) . . ? C34 Si7 C32 105.4(3) . . ? C33 Si7 C13 113.9(2) . . ? C34 Si7 C13 113.8(3) . . ? C32 Si7 C13 110.7(2) . . ? C36 Si8 C35 105.4(3) . . ? C36 Si8 C13 113.1(3) . . ? C35 Si8 C13 114.2(2) . . ? C36 Si8 C37 105.4(3) . . ? C35 Si8 C37 108.0(3) . . ? C13 Si8 C37 110.2(2) . . ? C39 Si9 C38 106.9(3) . . ? C39 Si9 C40 104.9(3) . . ? C38 Si9 C40 107.1(2) . . ? C39 Si9 C13 112.9(2) . . ? C38 Si9 C13 112.4(2) . . ? C40 Si9 C13 112.2(2) . . ? C2 C1 C5 107.7(4) . . ? C2 C1 C6 125.3(5) . . ? C5 C1 C6 125.9(5) . . ? C2 C1 Ru1 70.8(2) . . ? C5 C1 Ru1 71.7(2) . . ? C6 C1 Ru1 132.3(3) . . ? C3 C2 C1 108.4(4) . . ? C3 C2 C7 126.3(5) . . ? C1 C2 C7 124.3(5) . . ? C3 C2 Ru1 72.7(3) . . ? C1 C2 Ru1 71.8(2) . . ? C7 C2 Ru1 130.3(3) . . ? C2 C3 C4 107.6(4) . . ? C2 C3 C8 125.3(5) . . ? C4 C3 C8 125.8(5) . . ? C2 C3 Ru1 70.2(2) . . ? C4 C3 Ru1 71.3(3) . . ? C8 C3 Ru1 134.1(3) . . ? C5 C4 C3 108.9(4) . . ? C5 C4 C9 125.6(5) . . ? C3 C4 C9 124.3(5) . . ? C5 C4 Ru1 71.6(3) . . ? C3 C4 Ru1 71.8(3) . . ? C9 C4 Ru1 132.9(3) . . ? C4 C5 C1 107.3(4) . . ? C4 C5 C10 125.9(5) . . ? C1 C5 C10 125.8(5) . . ? C4 C5 Ru1 71.6(3) . . ? C1 C5 Ru1 70.7(3) . . ? C10 C5 Ru1 132.3(3) . . ? Si2 C11 Si1 110.9(2) . . ? Si2 C11 Si3 112.0(2) . . ? Si1 C11 Si3 109.8(2) . . ? Si2 C11 In1 108.1(2) . . ? Si1 C11 In1 108.6(2) . . ? Si3 C11 In1 107.2(2) . . ? Si5 C12 Si4 112.9(2) . . ? Si5 C12 Si6 109.9(2) . . ? Si4 C12 Si6 111.2(2) . . ? Si5 C12 In2 107.9(2) . . ? Si4 C12 In2 102.9(2) . . ? Si6 C12 In2 111.8(2) . . ? Si7 C13 Si8 112.8(2) . . ? Si7 C13 Si9 111.7(2) . . ? Si8 C13 Si9 112.3(2) . . ? Si7 C13 In3 107.3(2) . . ? Si8 C13 In3 104.6(2) . . ? Si9 C13 In3 107.6(2) . . ? 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 C2 Ru1 In1 C11 58.3(4) . . . . ? C1 Ru1 In1 C11 26.3(4) . . . . ? C5 Ru1 In1 C11 -9.2(4) . . . . ? C4 Ru1 In1 C11 -18.4(4) . . . . ? C3 Ru1 In1 C11 54.6(5) . . . . ? In3 Ru1 In1 C11 -116.2(4) . . . . ? In2 Ru1 In1 C11 157.5(4) . . . . ? C2 Ru1 In1 Cl1 -109.85(14) . . . . ? C1 Ru1 In1 Cl1 -141.76(13) . . . . ? C5 Ru1 In1 Cl1 -177.34(13) . . . . ? C4 Ru1 In1 Cl1 173.5(2) . . . . ? C3 Ru1 In1 Cl1 -113.5(3) . . . . ? In3 Ru1 In1 Cl1 75.65(4) . . . . ? In2 Ru1 In1 Cl1 -10.65(4) . . . . ? C2 Ru1 In2 C12 -43.0(4) . . . . ? C1 Ru1 In2 C12 -68.5(4) . . . . ? C5 Ru1 In2 C12 -26.0(6) . . . . ? C4 Ru1 In2 C12 19.1(4) . . . . ? C3 Ru1 In2 C12 -5.1(4) . . . . ? In3 Ru1 In2 C12 112.6(4) . . . . ? In1 Ru1 In2 C12 -157.6(4) . . . . ? C2 Ru1 In2 Cl1 125.25(14) . . . . ? C1 Ru1 In2 Cl1 99.76(16) . . . . ? C5 Ru1 In2 Cl1 142.3(4) . . . . ? C4 Ru1 In2 Cl1 -172.65(17) . . . . ? C3 Ru1 In2 Cl1 163.19(13) . . . . ? In3 Ru1 In2 Cl1 -79.10(4) . . . . ? In1 Ru1 In2 Cl1 10.67(4) . . . . ? C2 Ru1 In3 C13 -34.8(8) . . . . ? C1 Ru1 In3 C13 37.8(8) . . . . ? C5 Ru1 In3 C13 24.7(8) . . . . ? C4 Ru1 In3 C13 -11.1(8) . . . . ? C3 Ru1 In3 C13 -41.7(8) . . . . ? In1 Ru1 In3 C13 133.5(8) . . . . ? In2 Ru1 In3 C13 -143.6(8) . . . . ? C12 In2 Cl1 In1 165.98(12) . . . . ? Ru1 In2 Cl1 In1 -10.37(3) . . . . ? C11 In1 Cl1 In2 -165.99(12) . . . . ? Ru1 In1 Cl1 In2 10.37(3) . . . . ? C5 Ru1 C1 C2 -117.0(4) . . . . ? C4 Ru1 C1 C2 -79.6(3) . . . . ? C3 Ru1 C1 C2 -37.6(3) . . . . ? In3 Ru1 C1 C2 -137.8(2) . . . . ? In1 Ru1 C1 C2 128.1(3) . . . . ? In2 Ru1 C1 C2 44.1(3) . . . . ? C2 Ru1 C1 C5 117.0(4) . . . . ? C4 Ru1 C1 C5 37.4(3) . . . . ? C3 Ru1 C1 C5 79.4(3) . . . . ? In3 Ru1 C1 C5 -20.8(4) . . . . ? In1 Ru1 C1 C5 -114.9(2) . . . . ? In2 Ru1 C1 C5 161.1(2) . . . . ? C2 Ru1 C1 C6 -120.8(6) . . . . ? C5 Ru1 C1 C6 122.3(6) . . . . ? C4 Ru1 C1 C6 159.7(6) . . . . ? C3 Ru1 C1 C6 -158.3(6) . . . . ? In3 Ru1 C1 C6 101.4(5) . . . . ? In1 Ru1 C1 C6 7.3(5) . . . . ? In2 Ru1 C1 C6 -76.7(5) . . . . ? C5 C1 C2 C3 1.2(5) . . . . ? C6 C1 C2 C3 -167.3(4) . . . . ? Ru1 C1 C2 C3 63.9(3) . . . . ? C5 C1 C2 C7 170.5(4) . . . . ? C6 C1 C2 C7 1.9(7) . . . . ? Ru1 C1 C2 C7 -126.9(4) . . . . ? C5 C1 C2 Ru1 -62.7(3) . . . . ? C6 C1 C2 Ru1 128.8(5) . . . . ? C1 Ru1 C2 C3 -116.8(4) . . . . ? C5 Ru1 C2 C3 -79.1(3) . . . . ? C4 Ru1 C2 C3 -37.2(3) . . . . ? In3 Ru1 C2 C3 -10.2(5) . . . . ? In1 Ru1 C2 C3 -177.2(2) . . . . ? In2 Ru1 C2 C3 95.4(3) . . . . ? C5 Ru1 C2 C1 37.8(3) . . . . ? C4 Ru1 C2 C1 79.7(3) . . . . ? C3 Ru1 C2 C1 116.8(4) . . . . ? In3 Ru1 C2 C1 106.6(3) . . . . ? In1 Ru1 C2 C1 -60.4(3) . . . . ? In2 Ru1 C2 C1 -147.8(3) . . . . ? C1 Ru1 C2 C7 119.9(6) . . . . ? C5 Ru1 C2 C7 157.7(5) . . . . ? C4 Ru1 C2 C7 -160.4(6) . . . . ? C3 Ru1 C2 C7 -123.2(6) . . . . ? In3 Ru1 C2 C7 -133.4(4) . . . . ? In1 Ru1 C2 C7 59.5(5) . . . . ? In2 Ru1 C2 C7 -27.8(5) . . . . ? C1 C2 C3 C4 -1.4(5) . . . . ? C7 C2 C3 C4 -170.4(4) . . . . ? Ru1 C2 C3 C4 61.9(3) . . . . ? C1 C2 C3 C8 166.0(4) . . . . ? C7 C2 C3 C8 -3.0(7) . . . . ? Ru1 C2 C3 C8 -130.7(5) . . . . ? C1 C2 C3 Ru1 -63.3(3) . . . . ? C7 C2 C3 Ru1 127.7(5) . . . . ? C1 Ru1 C3 C2 37.8(3) . . . . ? C5 Ru1 C3 C2 80.6(3) . . . . ? C4 Ru1 C3 C2 117.4(4) . . . . ? In3 Ru1 C3 C2 175.1(2) . . . . ? In1 Ru1 C3 C2 5.4(5) . . . . ? In2 Ru1 C3 C2 -92.7(3) . . . . ? C2 Ru1 C3 C4 -117.4(4) . . . . ? C1 Ru1 C3 C4 -79.6(3) . . . . ? C5 Ru1 C3 C4 -36.9(3) . . . . ? In3 Ru1 C3 C4 57.7(3) . . . . ? In1 Ru1 C3 C4 -112.0(3) . . . . ? In2 Ru1 C3 C4 149.9(2) . . . . ? C2 Ru1 C3 C8 120.5(7) . . . . ? C1 Ru1 C3 C8 158.3(6) . . . . ? C5 Ru1 C3 C8 -159.0(6) . . . . ? C4 Ru1 C3 C8 -122.1(7) . . . . ? In3 Ru1 C3 C8 -64.4(6) . . . . ? In1 Ru1 C3 C8 125.9(5) . . . . ? In2 Ru1 C3 C8 27.8(6) . . . . ? C2 C3 C4 C5 1.1(5) . . . . ? C8 C3 C4 C5 -166.3(4) . . . . ? Ru1 C3 C4 C5 62.3(3) . . . . ? C2 C3 C4 C9 168.9(4) . . . . ? C8 C3 C4 C9 1.5(8) . . . . ? Ru1 C3 C4 C9 -130.0(5) . . . . ? C2 C3 C4 Ru1 -61.2(3) . . . . ? C8 C3 C4 Ru1 131.5(5) . . . . ? C2 Ru1 C4 C5 -80.7(3) . . . . ? C1 Ru1 C4 C5 -38.1(3) . . . . ? C3 Ru1 C4 C5 -118.0(4) . . . . ? In3 Ru1 C4 C5 110.6(3) . . . . ? In1 Ru1 C4 C5 14.5(4) . . . . ? In2 Ru1 C4 C5 -159.8(2) . . . . ? C2 Ru1 C4 C3 37.4(3) . . . . ? C1 Ru1 C4 C3 79.9(3) . . . . ? C5 Ru1 C4 C3 118.0(4) . . . . ? In3 Ru1 C4 C3 -131.4(3) . . . . ? In1 Ru1 C4 C3 132.6(3) . . . . ? In2 Ru1 C4 C3 -41.8(3) . . . . ? C2 Ru1 C4 C9 157.6(6) . . . . ? C1 Ru1 C4 C9 -159.9(6) . . . . ? C5 Ru1 C4 C9 -121.8(7) . . . . ? C3 Ru1 C4 C9 120.2(6) . . . . ? In3 Ru1 C4 C9 -11.2(5) . . . . ? In1 Ru1 C4 C9 -107.2(5) . . . . ? In2 Ru1 C4 C9 78.4(6) . . . . ? C3 C4 C5 C1 -0.3(5) . . . . ? C9 C4 C5 C1 -167.9(4) . . . . ? Ru1 C4 C5 C1 62.1(3) . . . . ? C3 C4 C5 C10 168.3(4) . . . . ? C9 C4 C5 C10 0.7(8) . . . . ? Ru1 C4 C5 C10 -129.3(5) . . . . ? C3 C4 C5 Ru1 -62.4(3) . . . . ? C9 C4 C5 Ru1 130.0(5) . . . . ? C2 C1 C5 C4 -0.5(5) . . . . ? C6 C1 C5 C4 167.9(4) . . . . ? Ru1 C1 C5 C4 -62.6(3) . . . . ? C2 C1 C5 C10 -169.2(4) . . . . ? C6 C1 C5 C10 -0.7(7) . . . . ? Ru1 C1 C5 C10 128.8(5) . . . . ? C2 C1 C5 Ru1 62.1(3) . . . . ? C6 C1 C5 Ru1 -129.4(5) . . . . ? C2 Ru1 C5 C4 79.1(3) . . . . ? C1 Ru1 C5 C4 116.7(4) . . . . ? C3 Ru1 C5 C4 36.9(3) . . . . ? In3 Ru1 C5 C4 -76.4(3) . . . . ? In1 Ru1 C5 C4 -171.1(2) . . . . ? In2 Ru1 C5 C4 60.2(6) . . . . ? C2 Ru1 C5 C1 -37.6(3) . . . . ? C4 Ru1 C5 C1 -116.7(4) . . . . ? C3 Ru1 C5 C1 -79.7(3) . . . . ? In3 Ru1 C5 C1 167.0(2) . . . . ? In1 Ru1 C5 C1 72.2(3) . . . . ? In2 Ru1 C5 C1 -56.5(6) . . . . ? C2 Ru1 C5 C10 -158.8(6) . . . . ? C1 Ru1 C5 C10 -121.2(6) . . . . ? C4 Ru1 C5 C10 122.1(6) . . . . ? C3 Ru1 C5 C10 159.0(6) . . . . ? In3 Ru1 C5 C10 45.7(5) . . . . ? In1 Ru1 C5 C10 -49.0(5) . . . . ? In2 Ru1 C5 C10 -177.7(3) . . . . ? C18 Si2 C11 Si1 156.4(3) . . . . ? C17 Si2 C11 Si1 37.4(3) . . . . ? C19 Si2 C11 Si1 -83.0(3) . . . . ? C18 Si2 C11 Si3 33.3(3) . . . . ? C17 Si2 C11 Si3 -85.7(3) . . . . ? C19 Si2 C11 Si3 153.9(3) . . . . ? C18 Si2 C11 In1 -84.6(3) . . . . ? C17 Si2 C11 In1 156.3(2) . . . . ? C19 Si2 C11 In1 36.0(3) . . . . ? C16 Si1 C11 Si2 -80.1(4) . . . . ? C15 Si1 C11 Si2 161.1(3) . . . . ? C14 Si1 C11 Si2 39.3(3) . . . . ? C16 Si1 C11 Si3 44.3(4) . . . . ? C15 Si1 C11 Si3 -74.6(3) . . . . ? C14 Si1 C11 Si3 163.6(3) . . . . ? C16 Si1 C11 In1 161.2(3) . . . . ? C15 Si1 C11 In1 42.4(3) . . . . ? C14 Si1 C11 In1 -79.4(3) . . . . ? C21 Si3 C11 Si2 -74.5(3) . . . . ? C22 Si3 C11 Si2 45.7(3) . . . . ? C20 Si3 C11 Si2 166.3(3) . . . . ? C21 Si3 C11 Si1 161.8(3) . . . . ? C22 Si3 C11 Si1 -78.0(3) . . . . ? C20 Si3 C11 Si1 42.5(3) . . . . ? C21 Si3 C11 In1 44.0(3) . . . . ? C22 Si3 C11 In1 164.2(3) . . . . ? C20 Si3 C11 In1 -75.2(3) . . . . ? Ru1 In1 C11 Si2 -120.3(3) . . . . ? Cl1 In1 C11 Si2 47.7(2) . . . . ? Ru1 In1 C11 Si1 0.1(5) . . . . ? Cl1 In1 C11 Si1 168.17(18) . . . . ? Ru1 In1 C11 Si3 118.7(3) . . . . ? Cl1 In1 C11 Si3 -73.28(19) . . . . ? C26 Si5 C12 Si4 164.2(3) . . . . ? C27 Si5 C12 Si4 -78.9(3) . . . . ? C28 Si5 C12 Si4 42.3(3) . . . . ? C26 Si5 C12 Si6 39.4(4) . . . . ? C27 Si5 C12 Si6 156.3(3) . . . . ? C28 Si5 C12 Si6 -82.4(3) . . . . ? C26 Si5 C12 In2 -82.8(3) . . . . ? C27 Si5 C12 In2 34.1(3) . . . . ? C28 Si5 C12 In2 155.4(2) . . . . ? C23 Si4 C12 Si5 157.8(3) . . . . ? C25 Si4 C12 Si5 40.6(3) . . . . ? C24 Si4 C12 Si5 -79.3(3) . . . . ? C23 Si4 C12 Si6 -78.1(3) . . . . ? C25 Si4 C12 Si6 164.7(2) . . . . ? C24 Si4 C12 Si6 44.8(3) . . . . ? C23 Si4 C12 In2 41.7(3) . . . . ? C25 Si4 C12 In2 -75.4(3) . . . . ? C24 Si4 C12 In2 164.7(2) . . . . ? C30 Si6 C12 Si5 161.3(2) . . . . ? C31 Si6 C12 Si5 -75.6(3) . . . . ? C29 Si6 C12 Si5 43.9(3) . . . . ? C30 Si6 C12 Si4 35.5(3) . . . . ? C31 Si6 C12 Si4 158.7(3) . . . . ? C29 Si6 C12 Si4 -81.9(3) . . . . ? C30 Si6 C12 In2 -78.9(3) . . . . ? C31 Si6 C12 In2 44.3(3) . . . . ? C29 Si6 C12 In2 163.7(3) . . . . ? Ru1 In2 C12 Si5 -46.9(5) . . . . ? Cl1 In2 C12 Si5 144.89(17) . . . . ? Ru1 In2 C12 Si4 72.6(4) . . . . ? Cl1 In2 C12 Si4 -95.59(17) . . . . ? Ru1 In2 C12 Si6 -167.93(18) . . . . ? Cl1 In2 C12 Si6 23.9(2) . . . . ? C33 Si7 C13 Si8 -83.1(3) . . . . ? C34 Si7 C13 Si8 36.2(3) . . . . ? C32 Si7 C13 Si8 154.8(3) . . . . ? C33 Si7 C13 Si9 44.5(3) . . . . ? C34 Si7 C13 Si9 163.9(3) . . . . ? C32 Si7 C13 Si9 -77.6(3) . . . . ? C33 Si7 C13 In3 162.2(3) . . . . ? C34 Si7 C13 In3 -78.5(3) . . . . ? C32 Si7 C13 In3 40.1(3) . . . . ? C36 Si8 C13 Si7 164.5(3) . . . . ? C35 Si8 C13 Si7 43.8(3) . . . . ? C37 Si8 C13 Si7 -77.9(3) . . . . ? C36 Si8 C13 Si9 37.2(3) . . . . ? C35 Si8 C13 Si9 -83.4(3) . . . . ? C37 Si8 C13 Si9 154.9(3) . . . . ? C36 Si8 C13 In3 -79.2(3) . . . . ? C35 Si8 C13 In3 160.1(2) . . . . ? C37 Si8 C13 In3 38.4(3) . . . . ? C39 Si9 C13 Si7 37.6(3) . . . . ? C38 Si9 C13 Si7 -83.3(3) . . . . ? C40 Si9 C13 Si7 155.9(2) . . . . ? C39 Si9 C13 Si8 165.5(3) . . . . ? C38 Si9 C13 Si8 44.5(3) . . . . ? C40 Si9 C13 Si8 -76.3(3) . . . . ? C39 Si9 C13 In3 -79.9(3) . . . . ? C38 Si9 C13 In3 159.2(2) . . . . ? C40 Si9 C13 In3 38.4(3) . . . . ? Ru1 In3 C13 Si7 44.9(9) . . . . ? Ru1 In3 C13 Si8 -75.1(8) . . . . ? Ru1 In3 C13 Si9 165.2(6) . . . . ? _diffrn_measured_fraction_theta_max 0.989 _diffrn_reflns_theta_full 25.06 _diffrn_measured_fraction_theta_full 0.989 _refine_diff_density_max 0.898 _refine_diff_density_min -0.486 _refine_diff_density_rms 0.108 #=================================================END data_8 _database_code_depnum_ccdc_archive 'CCDC 246345' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C40 H48 Cl Ga3 Ru' _chemical_formula_weight 874.46 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 11.390(3) _cell_length_b 16.605(4) _cell_length_c 21.418(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4050.9(17) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 5767 _cell_measurement_theta_min 2.63 _cell_measurement_theta_max 25.07 _exptl_crystal_description plates _exptl_crystal_colour yellow _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.434 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1768 _exptl_absorpt_coefficient_mu 2.430 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.218 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 213(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker CCD 1000' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 18102 _diffrn_reflns_av_R_equivalents 0.0519 _diffrn_reflns_av_sigmaI/netI 0.0715 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 2.63 _diffrn_reflns_theta_max 25.07 _reflns_number_total 6996 _reflns_number_gt 5767 _reflns_threshold_expression >2sigma(I) _computing_data_collection SMART _computing_cell_refinement SMART _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0127P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.007(11) _refine_ls_number_reflns 6996 _refine_ls_number_parameters 406 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0508 _refine_ls_R_factor_gt 0.0344 _refine_ls_wR_factor_ref 0.0712 _refine_ls_wR_factor_gt 0.0656 _refine_ls_goodness_of_fit_ref 0.987 _refine_ls_restrained_S_all 0.987 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru -0.08458(3) -0.52492(2) -0.120963(18) 0.01752(9) Uani 1 1 d . . . Ga1 Ga -0.05266(5) -0.48702(3) -0.01619(3) 0.02663(14) Uani 1 1 d . . . Ga2 Ga -0.04752(5) -0.38990(3) -0.15054(3) 0.02844(15) Uani 1 1 d . . . Ga3 Ga -0.27837(4) -0.47326(3) -0.10159(3) 0.02225(14) Uani 1 1 d . . . Cl1 Cl -0.27721(12) -0.34032(8) -0.06029(7) 0.0362(4) Uani 1 1 d . . . C1 C 0.0705(5) -0.4562(3) 0.0676(2) 0.0277(13) Uani 1 1 d . . . C2 C 0.0392(5) -0.5381(3) 0.0772(3) 0.0355(14) Uani 1 1 d . . . C3 C -0.0850(5) -0.5427(3) 0.0840(3) 0.0326(13) Uani 1 1 d . . . C4 C -0.1309(5) -0.4629(3) 0.0797(3) 0.0313(14) Uani 1 1 d . . . C5 C -0.0352(5) -0.4096(3) 0.0689(3) 0.0291(13) Uani 1 1 d . . . C6 C 0.1916(5) -0.4234(4) 0.0621(3) 0.0525(19) Uani 1 1 d . . . H6A H 0.2244 -0.4156 0.1035 0.079 Uiso 1 1 calc R . . H6B H 0.1893 -0.3722 0.0403 0.079 Uiso 1 1 calc R . . H6C H 0.2401 -0.4610 0.0390 0.079 Uiso 1 1 calc R . . C7 C 0.1252(6) -0.6047(4) 0.0884(3) 0.0518(18) Uani 1 1 d . . . H7A H 0.1431 -0.6078 0.1326 0.078 Uiso 1 1 calc R . . H7B H 0.1967 -0.5940 0.0652 0.078 Uiso 1 1 calc R . . H7C H 0.0916 -0.6553 0.0746 0.078 Uiso 1 1 calc R . . C8 C -0.1563(6) -0.6174(4) 0.0980(3) 0.0556(19) Uani 1 1 d . . . H8A H -0.1560 -0.6273 0.1427 0.083 Uiso 1 1 calc R . . H8B H -0.1221 -0.6632 0.0766 0.083 Uiso 1 1 calc R . . H8C H -0.2363 -0.6097 0.0838 0.083 Uiso 1 1 calc R . . C9 C -0.2567(5) -0.4409(4) 0.0886(3) 0.0501(18) Uani 1 1 d . . . H9A H -0.2725 -0.4336 0.1327 0.075 Uiso 1 1 calc R . . H9B H -0.3062 -0.4835 0.0723 0.075 Uiso 1 1 calc R . . H9C H -0.2732 -0.3912 0.0665 0.075 Uiso 1 1 calc R . . C10 C -0.0419(6) -0.3202(3) 0.0670(3) 0.0465(16) Uani 1 1 d . . . H10A H -0.0322 -0.2989 0.1088 0.070 Uiso 1 1 calc R . . H10B H -0.1177 -0.3039 0.0506 0.070 Uiso 1 1 calc R . . H10C H 0.0199 -0.2994 0.0403 0.070 Uiso 1 1 calc R . . C11 C 0.1037(4) -0.2958(3) -0.1563(3) 0.0349(14) Uani 1 1 d . . . C12 C -0.0056(5) -0.2581(3) -0.1413(3) 0.0316(14) Uani 1 1 d . . . C13 C -0.0805(5) -0.2681(3) -0.1945(3) 0.0326(14) Uani 1 1 d . . . C14 C -0.0176(5) -0.3093(3) -0.2409(3) 0.0369(15) Uani 1 1 d . . . C15 C 0.0961(5) -0.3267(3) -0.2184(3) 0.0330(13) Uani 1 1 d . . . C16 C 0.2086(5) -0.3014(4) -0.1148(3) 0.0549(19) Uani 1 1 d . . . H16A H 0.2622 -0.2577 -0.1242 0.082 Uiso 1 1 calc R . . H16B H 0.2478 -0.3525 -0.1216 0.082 Uiso 1 1 calc R . . H16C H 0.1840 -0.2976 -0.0715 0.082 Uiso 1 1 calc R . . C17 C -0.0317(5) -0.2088(3) -0.0845(3) 0.0402(15) Uani 1 1 d . . . H17A H -0.0060 -0.1538 -0.0913 0.060 Uiso 1 1 calc R . . H17B H 0.0096 -0.2312 -0.0489 0.060 Uiso 1 1 calc R . . H17C H -0.1155 -0.2094 -0.0765 0.060 Uiso 1 1 calc R . . C18 C -0.2009(5) -0.2330(3) -0.2014(3) 0.0463(17) Uani 1 1 d . . . H18A H -0.1955 -0.1808 -0.2214 0.069 Uiso 1 1 calc R . . H18B H -0.2364 -0.2270 -0.1605 0.069 Uiso 1 1 calc R . . H18C H -0.2488 -0.2686 -0.2267 0.069 Uiso 1 1 calc R . . C19 C -0.0618(7) -0.3301(4) -0.3057(3) 0.0572(19) Uani 1 1 d . . . H19A H -0.0379 -0.2884 -0.3348 0.086 Uiso 1 1 calc R . . H19B H -0.1468 -0.3338 -0.3051 0.086 Uiso 1 1 calc R . . H19C H -0.0289 -0.3813 -0.3187 0.086 Uiso 1 1 calc R . . C20 C 0.1986(6) -0.3648(4) -0.2522(3) 0.0533(19) Uani 1 1 d . . . H20A H 0.2400 -0.3240 -0.2760 0.080 Uiso 1 1 calc R . . H20B H 0.1699 -0.4062 -0.2803 0.080 Uiso 1 1 calc R . . H20C H 0.2517 -0.3888 -0.2220 0.080 Uiso 1 1 calc R . . C21 C -0.4594(4) -0.4884(3) -0.1038(3) 0.0271(12) Uani 1 1 d . . . C22 C -0.4782(4) -0.5763(3) -0.0993(3) 0.0331(14) Uani 1 1 d . . . C23 C -0.4998(4) -0.6061(3) -0.1566(3) 0.0338(14) Uani 1 1 d . . . C24 C -0.4998(5) -0.5410(3) -0.2017(3) 0.0335(14) Uani 1 1 d . . . C25 C -0.4781(4) -0.4714(3) -0.1711(3) 0.0299(13) Uani 1 1 d . . . C26 C -0.5256(5) -0.4366(4) -0.0559(3) 0.0457(17) Uani 1 1 d . . . H26A H -0.6092 -0.4468 -0.0593 0.069 Uiso 1 1 calc R . . H26B H -0.5101 -0.3801 -0.0639 0.069 Uiso 1 1 calc R . . H26C H -0.4993 -0.4503 -0.0141 0.069 Uiso 1 1 calc R . . C27 C -0.4793(6) -0.6216(4) -0.0370(4) 0.062(2) Uani 1 1 d . . . C28 C -0.5209(5) -0.6937(4) -0.1745(4) 0.057(2) Uani 1 1 d . . . C29 C -0.5204(6) -0.5526(4) -0.2711(3) 0.056(2) Uani 1 1 d . . . C30 C -0.4752(5) -0.3861(4) -0.1983(4) 0.0517(19) Uani 1 1 d . . . C31 C -0.1115(4) -0.6557(3) -0.1324(2) 0.0222(12) Uani 1 1 d . . . C32 C 0.0070(5) -0.6411(3) -0.1112(3) 0.0302(13) Uani 1 1 d . . . C33 C 0.0661(4) -0.5951(3) -0.1568(3) 0.0283(12) Uani 1 1 d . . . C34 C -0.0149(4) -0.5807(3) -0.2064(3) 0.0257(13) Uani 1 1 d . . . C35 C -0.1239(4) -0.6181(3) -0.1919(3) 0.0238(12) Uani 1 1 d . . . C36 C -0.1985(5) -0.7097(3) -0.1010(3) 0.0432(16) Uani 1 1 d . . . H36A H -0.1885 -0.7644 -0.1161 0.065 Uiso 1 1 calc R . . H36B H -0.2774 -0.6914 -0.1102 0.065 Uiso 1 1 calc R . . H36C H -0.1858 -0.7085 -0.0562 0.065 Uiso 1 1 calc R . . C37 C 0.0622(6) -0.6793(3) -0.0548(3) 0.0490(18) Uani 1 1 d . . . H37A H 0.0961 -0.7308 -0.0664 0.074 Uiso 1 1 calc R . . H37B H 0.0029 -0.6875 -0.0229 0.074 Uiso 1 1 calc R . . H37C H 0.1233 -0.6443 -0.0387 0.074 Uiso 1 1 calc R . . C38 C 0.1952(5) -0.5737(4) -0.1576(4) 0.0503(19) Uani 1 1 d . . . H38A H 0.2393 -0.6172 -0.1767 0.075 Uiso 1 1 calc R . . H38B H 0.2226 -0.5655 -0.1152 0.075 Uiso 1 1 calc R . . H38C H 0.2066 -0.5246 -0.1815 0.075 Uiso 1 1 calc R . . C39 C 0.0109(5) -0.5445(3) -0.2694(3) 0.0388(15) Uani 1 1 d . . . H39A H 0.0405 -0.5860 -0.2972 0.058 Uiso 1 1 calc R . . H39B H 0.0694 -0.5024 -0.2650 0.058 Uiso 1 1 calc R . . H39C H -0.0605 -0.5218 -0.2867 0.058 Uiso 1 1 calc R . . C40 C -0.2263(5) -0.6267(3) -0.2350(3) 0.0379(15) Uani 1 1 d . . . H40A H -0.2161 -0.6745 -0.2605 0.057 Uiso 1 1 calc R . . H40B H -0.2313 -0.5797 -0.2618 0.057 Uiso 1 1 calc R . . H40C H -0.2979 -0.6316 -0.2108 0.057 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.01646(19) 0.01641(17) 0.0197(2) -0.00068(18) 0.00053(18) 0.00146(17) Ga1 0.0293(3) 0.0296(3) 0.0210(3) -0.0031(3) -0.0016(3) 0.0024(3) Ga2 0.0318(3) 0.0201(3) 0.0334(4) 0.0052(3) -0.0012(3) -0.0032(2) Ga3 0.0168(3) 0.0241(3) 0.0258(3) -0.0003(3) 0.0007(2) 0.0024(3) Cl1 0.0314(7) 0.0274(7) 0.0497(10) -0.0108(6) 0.0011(8) 0.0032(6) C1 0.024(3) 0.040(3) 0.019(3) 0.000(2) -0.002(3) 0.006(2) C2 0.041(3) 0.037(3) 0.028(3) -0.003(3) -0.013(3) 0.004(3) C3 0.038(3) 0.039(3) 0.021(3) 0.008(2) 0.003(3) 0.004(3) C4 0.028(3) 0.044(4) 0.021(3) -0.004(3) -0.001(3) 0.007(3) C5 0.032(3) 0.031(3) 0.025(3) -0.004(2) -0.002(3) 0.003(2) C6 0.038(4) 0.061(4) 0.058(5) -0.015(4) -0.013(4) -0.003(3) C7 0.057(4) 0.055(4) 0.043(4) -0.004(3) -0.021(4) 0.020(3) C8 0.053(4) 0.057(4) 0.056(5) 0.021(4) 0.001(4) -0.003(3) C9 0.039(4) 0.067(4) 0.044(5) -0.005(3) 0.005(3) 0.011(3) C10 0.057(4) 0.036(3) 0.046(4) -0.011(3) -0.003(4) 0.005(3) C11 0.022(3) 0.028(3) 0.055(4) 0.005(3) 0.005(3) -0.008(2) C12 0.037(3) 0.019(3) 0.039(4) 0.003(2) 0.004(3) -0.006(2) C13 0.031(3) 0.025(3) 0.042(4) 0.011(3) -0.005(3) -0.005(3) C14 0.046(4) 0.033(3) 0.032(4) 0.011(3) -0.003(3) -0.015(3) C15 0.033(3) 0.031(3) 0.035(4) 0.005(3) 0.000(3) -0.010(3) C16 0.038(4) 0.058(4) 0.069(5) -0.009(4) -0.016(4) -0.009(3) C17 0.049(4) 0.026(3) 0.046(4) -0.002(3) 0.001(3) -0.005(3) C18 0.044(4) 0.038(3) 0.057(5) 0.014(3) -0.011(4) 0.000(3) C19 0.077(5) 0.055(4) 0.040(4) 0.013(3) -0.015(4) -0.021(4) C20 0.048(4) 0.051(4) 0.060(5) -0.006(4) 0.031(4) -0.010(3) C21 0.015(2) 0.033(3) 0.034(3) -0.001(2) 0.001(2) -0.001(2) C22 0.014(3) 0.043(3) 0.042(4) 0.011(3) 0.007(3) -0.002(2) C23 0.018(3) 0.034(3) 0.050(4) -0.001(3) 0.000(3) 0.002(2) C24 0.020(3) 0.052(4) 0.028(3) 0.005(3) 0.002(3) 0.002(3) C25 0.012(2) 0.034(3) 0.043(4) 0.007(3) 0.005(2) 0.001(2) C26 0.019(3) 0.058(4) 0.060(5) -0.013(3) 0.004(3) -0.002(3) C27 0.059(5) 0.070(4) 0.058(5) 0.040(4) 0.006(4) 0.001(4) C28 0.041(4) 0.034(3) 0.097(6) -0.010(4) -0.018(4) -0.012(3) C29 0.049(4) 0.088(5) 0.032(4) -0.012(3) -0.010(4) 0.002(4) C30 0.038(4) 0.048(4) 0.070(5) 0.028(4) -0.018(4) -0.003(3) C31 0.027(3) 0.015(2) 0.025(3) -0.006(2) 0.004(2) 0.0044(19) C32 0.040(3) 0.021(2) 0.030(4) -0.009(2) -0.003(3) 0.011(2) C33 0.025(3) 0.026(3) 0.034(3) -0.009(2) -0.002(3) 0.011(2) C34 0.031(3) 0.021(3) 0.025(3) -0.007(2) 0.008(3) 0.008(2) C35 0.022(3) 0.019(2) 0.030(3) -0.004(2) 0.002(2) 0.006(2) C36 0.052(4) 0.026(3) 0.051(4) 0.000(3) 0.007(3) -0.005(3) C37 0.071(5) 0.034(3) 0.042(4) -0.004(3) -0.015(4) 0.019(3) C38 0.025(3) 0.049(4) 0.077(6) -0.017(4) -0.006(4) 0.005(3) C39 0.050(4) 0.035(3) 0.031(4) -0.005(3) 0.011(3) 0.003(3) C40 0.034(3) 0.036(3) 0.044(4) -0.015(3) -0.011(3) 0.003(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C34 2.199(5) . ? Ru1 C32 2.203(5) . ? Ru1 C31 2.206(4) . ? Ru1 C33 2.212(5) . ? Ru1 C35 2.214(5) . ? Ru1 Ga1 2.3588(9) . ? Ru1 Ga2 2.3678(8) . ? Ru1 Ga3 2.4043(8) . ? Ga1 C5 2.238(5) . ? Ga1 C4 2.274(6) . ? Ga1 C1 2.335(5) . ? Ga1 C3 2.365(5) . ? Ga1 C2 2.412(6) . ? Ga2 C12 2.249(5) . ? Ga2 C13 2.262(5) . ? Ga2 C11 2.328(5) . ? Ga2 C14 2.377(6) . ? Ga2 C15 2.427(5) . ? Ga3 C21 2.078(5) . ? Ga3 Cl1 2.3781(15) . ? C1 C2 1.422(7) . ? C1 C5 1.431(7) . ? C1 C6 1.487(7) . ? C2 C3 1.424(8) . ? C2 C7 1.496(8) . ? C3 C4 1.426(8) . ? C3 C8 1.513(8) . ? C4 C5 1.423(7) . ? C4 C9 1.491(8) . ? C5 C10 1.488(7) . ? C11 C15 1.427(9) . ? C11 C12 1.430(7) . ? C11 C16 1.493(8) . ? C12 C13 1.434(8) . ? C12 C17 1.496(8) . ? C13 C14 1.403(8) . ? C13 C18 1.498(8) . ? C14 C15 1.411(8) . ? C14 C19 1.516(8) . ? C15 C20 1.514(8) . ? C21 C22 1.479(7) . ? C21 C25 1.484(8) . ? C21 C26 1.537(7) . ? C22 C23 1.344(8) . ? C22 C27 1.533(8) . ? C23 C24 1.450(8) . ? C23 C28 1.525(8) . ? C24 C25 1.351(8) . ? C24 C29 1.518(9) . ? C25 C30 1.533(8) . ? C31 C35 1.425(7) . ? C31 C32 1.445(7) . ? C31 C36 1.497(7) . ? C32 C33 1.411(7) . ? C32 C37 1.502(7) . ? C33 C34 1.428(7) . ? C33 C38 1.513(7) . ? C34 C35 1.422(7) . ? C34 C39 1.508(8) . ? C35 C40 1.495(7) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C34 Ru1 C32 62.6(2) . . ? C34 Ru1 C31 62.81(19) . . ? C32 Ru1 C31 38.26(18) . . ? C34 Ru1 C33 37.77(19) . . ? C32 Ru1 C33 37.27(19) . . ? C31 Ru1 C33 63.31(18) . . ? C34 Ru1 C35 37.59(18) . . ? C32 Ru1 C35 63.21(19) . . ? C31 Ru1 C35 37.62(19) . . ? C33 Ru1 C35 63.32(19) . . ? C34 Ru1 Ga1 148.03(14) . . ? C32 Ru1 Ga1 94.01(15) . . ? C31 Ru1 Ga1 112.94(14) . . ? C33 Ru1 Ga1 110.53(14) . . ? C35 Ru1 Ga1 150.50(14) . . ? C34 Ru1 Ga2 96.43(13) . . ? C32 Ru1 Ga2 140.37(15) . . ? C31 Ru1 Ga2 157.94(14) . . ? C33 Ru1 Ga2 105.53(14) . . ? C35 Ru1 Ga2 120.94(14) . . ? Ga1 Ru1 Ga2 88.54(3) . . ? C34 Ru1 Ga3 128.70(14) . . ? C32 Ru1 Ga3 136.95(15) . . ? C31 Ru1 Ga3 104.05(12) . . ? C33 Ru1 Ga3 163.81(13) . . ? C35 Ru1 Ga3 100.50(12) . . ? Ga1 Ru1 Ga3 83.23(2) . . ? Ga2 Ru1 Ga3 82.64(3) . . ? C5 Ga1 C4 36.77(19) . . ? C5 Ga1 C1 36.38(18) . . ? C4 Ga1 C1 60.18(18) . . ? C5 Ga1 Ru1 160.25(14) . . ? C4 Ga1 Ru1 147.75(14) . . ? C1 Ga1 Ru1 151.93(13) . . ? C5 Ga1 C3 59.99(19) . . ? C4 Ga1 C3 35.74(19) . . ? C1 Ga1 C3 58.81(19) . . ? Ru1 Ga1 C3 137.29(14) . . ? C5 Ga1 C2 59.22(18) . . ? C4 Ga1 C2 58.86(19) . . ? C1 Ga1 C2 34.81(18) . . ? Ru1 Ga1 C2 139.65(13) . . ? C3 Ga1 C2 34.7(2) . . ? C12 Ga2 C13 37.1(2) . . ? C12 Ga2 C11 36.36(19) . . ? C13 Ga2 C11 60.1(2) . . ? C12 Ga2 Ru1 159.34(16) . . ? C13 Ga2 Ru1 158.17(14) . . ? C11 Ga2 Ru1 141.38(14) . . ? C12 Ga2 C14 59.6(2) . . ? C13 Ga2 C14 35.1(2) . . ? C11 Ga2 C14 58.2(2) . . ? Ru1 Ga2 C14 140.93(15) . . ? C12 Ga2 C15 59.2(2) . . ? C13 Ga2 C15 58.4(2) . . ? C11 Ga2 C15 34.9(2) . . ? Ru1 Ga2 C15 133.64(13) . . ? C14 Ga2 C15 34.15(19) . . ? C21 Ga3 Cl1 97.25(14) . . ? C21 Ga3 Ru1 149.78(14) . . ? Cl1 Ga3 Ru1 112.97(4) . . ? C2 C1 C5 107.6(5) . . ? C2 C1 C6 126.4(5) . . ? C5 C1 C6 125.8(5) . . ? C2 C1 Ga1 75.5(3) . . ? C5 C1 Ga1 68.1(3) . . ? C6 C1 Ga1 125.2(4) . . ? C1 C2 C3 108.3(5) . . ? C1 C2 C7 124.5(5) . . ? C3 C2 C7 126.5(5) . . ? C1 C2 Ga1 69.7(3) . . ? C3 C2 Ga1 70.8(3) . . ? C7 C2 Ga1 132.6(4) . . ? C2 C3 C4 108.0(5) . . ? C2 C3 C8 126.6(5) . . ? C4 C3 C8 125.3(5) . . ? C2 C3 Ga1 74.5(3) . . ? C4 C3 Ga1 68.7(3) . . ? C8 C3 Ga1 125.8(4) . . ? C5 C4 C3 107.9(5) . . ? C5 C4 C9 127.1(5) . . ? C3 C4 C9 124.9(5) . . ? C5 C4 Ga1 70.2(3) . . ? C3 C4 Ga1 75.6(3) . . ? C9 C4 Ga1 122.3(4) . . ? C4 C5 C1 108.2(4) . . ? C4 C5 C10 125.9(5) . . ? C1 C5 C10 125.6(5) . . ? C4 C5 Ga1 73.0(3) . . ? C1 C5 Ga1 75.5(3) . . ? C10 C5 Ga1 123.1(4) . . ? C15 C11 C12 108.3(5) . . ? C15 C11 C16 125.6(5) . . ? C12 C11 C16 126.1(6) . . ? C15 C11 Ga2 76.3(3) . . ? C12 C11 Ga2 68.8(3) . . ? C16 C11 Ga2 121.3(4) . . ? C11 C12 C13 106.7(5) . . ? C11 C12 C17 126.6(5) . . ? C13 C12 C17 126.3(5) . . ? C11 C12 Ga2 74.8(3) . . ? C13 C12 Ga2 72.0(3) . . ? C17 C12 Ga2 124.2(4) . . ? C14 C13 C12 108.4(5) . . ? C14 C13 C18 126.0(6) . . ? C12 C13 C18 125.3(6) . . ? C14 C13 Ga2 76.9(3) . . ? C12 C13 Ga2 71.0(3) . . ? C18 C13 Ga2 122.7(4) . . ? C13 C14 C15 109.0(5) . . ? C13 C14 C19 126.1(6) . . ? C15 C14 C19 124.8(6) . . ? C13 C14 Ga2 68.0(3) . . ? C15 C14 Ga2 74.9(3) . . ? C19 C14 Ga2 124.7(4) . . ? C14 C15 C11 107.5(5) . . ? C14 C15 C20 129.0(6) . . ? C11 C15 C20 123.3(5) . . ? C14 C15 Ga2 71.0(3) . . ? C11 C15 Ga2 68.8(3) . . ? C20 C15 Ga2 128.7(4) . . ? C22 C21 C25 103.3(5) . . ? C22 C21 C26 116.0(5) . . ? C25 C21 C26 118.2(5) . . ? C22 C21 Ga3 105.2(3) . . ? C25 C21 Ga3 98.1(3) . . ? C26 C21 Ga3 113.8(4) . . ? C23 C22 C21 109.3(5) . . ? C23 C22 C27 127.8(6) . . ? C21 C22 C27 122.8(6) . . ? C22 C23 C24 109.5(5) . . ? C22 C23 C28 127.5(6) . . ? C24 C23 C28 122.9(6) . . ? C25 C24 C23 108.3(5) . . ? C25 C24 C29 127.8(6) . . ? C23 C24 C29 123.9(5) . . ? C24 C25 C21 109.6(5) . . ? C24 C25 C30 127.6(5) . . ? C21 C25 C30 122.8(5) . . ? C35 C31 C32 107.5(4) . . ? C35 C31 C36 126.8(5) . . ? C32 C31 C36 125.2(5) . . ? C35 C31 Ru1 71.5(3) . . ? C32 C31 Ru1 70.8(3) . . ? C36 C31 Ru1 129.2(3) . . ? C33 C32 C31 108.6(5) . . ? C33 C32 C37 125.8(5) . . ? C31 C32 C37 125.0(5) . . ? C33 C32 Ru1 71.7(3) . . ? C31 C32 Ru1 71.0(3) . . ? C37 C32 Ru1 130.1(4) . . ? C32 C33 C34 107.3(4) . . ? C32 C33 C38 126.8(5) . . ? C34 C33 C38 125.4(5) . . ? C32 C33 Ru1 71.0(3) . . ? C34 C33 Ru1 70.6(3) . . ? C38 C33 Ru1 129.4(4) . . ? C35 C34 C33 109.2(5) . . ? C35 C34 C39 122.7(5) . . ? C33 C34 C39 127.4(5) . . ? C35 C34 Ru1 71.8(3) . . ? C33 C34 Ru1 71.6(3) . . ? C39 C34 Ru1 130.4(3) . . ? C34 C35 C31 107.4(4) . . ? C34 C35 C40 126.0(5) . . ? C31 C35 C40 126.0(5) . . ? C34 C35 Ru1 70.6(3) . . ? C31 C35 Ru1 70.9(3) . . ? C40 C35 Ru1 130.5(3) . . ? 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 C34 Ru1 Ga1 C5 119.6(5) . . . . ? C32 Ru1 Ga1 C5 160.2(4) . . . . ? C31 Ru1 Ga1 C5 -165.4(4) . . . . ? C33 Ru1 Ga1 C5 125.9(4) . . . . ? C35 Ru1 Ga1 C5 -162.3(5) . . . . ? Ga2 Ru1 Ga1 C5 19.8(4) . . . . ? Ga3 Ru1 Ga1 C5 -62.9(4) . . . . ? C34 Ru1 Ga1 C4 -152.0(4) . . . . ? C32 Ru1 Ga1 C4 -111.4(3) . . . . ? C31 Ru1 Ga1 C4 -77.0(3) . . . . ? C33 Ru1 Ga1 C4 -145.7(3) . . . . ? C35 Ru1 Ga1 C4 -73.9(4) . . . . ? Ga2 Ru1 Ga1 C4 108.2(3) . . . . ? Ga3 Ru1 Ga1 C4 25.4(3) . . . . ? C34 Ru1 Ga1 C1 20.5(4) . . . . ? C32 Ru1 Ga1 C1 61.0(3) . . . . ? C31 Ru1 Ga1 C1 95.4(3) . . . . ? C33 Ru1 Ga1 C1 26.7(3) . . . . ? C35 Ru1 Ga1 C1 98.5(4) . . . . ? Ga2 Ru1 Ga1 C1 -79.4(3) . . . . ? Ga3 Ru1 Ga1 C1 -162.1(3) . . . . ? C34 Ru1 Ga1 C3 -93.7(3) . . . . ? C32 Ru1 Ga1 C3 -53.1(2) . . . . ? C31 Ru1 Ga1 C3 -18.7(2) . . . . ? C33 Ru1 Ga1 C3 -87.5(2) . . . . ? C35 Ru1 Ga1 C3 -15.6(3) . . . . ? Ga2 Ru1 Ga1 C3 166.5(2) . . . . ? Ga3 Ru1 Ga1 C3 83.7(2) . . . . ? C34 Ru1 Ga1 C2 -40.4(3) . . . . ? C32 Ru1 Ga1 C2 0.2(3) . . . . ? C31 Ru1 Ga1 C2 34.6(3) . . . . ? C33 Ru1 Ga1 C2 -34.1(3) . . . . ? C35 Ru1 Ga1 C2 37.7(3) . . . . ? Ga2 Ru1 Ga1 C2 -140.2(2) . . . . ? Ga3 Ru1 Ga1 C2 137.1(2) . . . . ? C34 Ru1 Ga2 C12 -149.5(4) . . . . ? C32 Ru1 Ga2 C12 -95.7(5) . . . . ? C31 Ru1 Ga2 C12 -168.4(5) . . . . ? C33 Ru1 Ga2 C12 -112.1(4) . . . . ? C35 Ru1 Ga2 C12 -180.0(4) . . . . ? Ga1 Ru1 Ga2 C12 -1.2(4) . . . . ? Ga3 Ru1 Ga2 C12 82.2(4) . . . . ? C34 Ru1 Ga2 C13 87.9(5) . . . . ? C32 Ru1 Ga2 C13 141.7(5) . . . . ? C31 Ru1 Ga2 C13 69.1(6) . . . . ? C33 Ru1 Ga2 C13 125.3(5) . . . . ? C35 Ru1 Ga2 C13 57.4(5) . . . . ? Ga1 Ru1 Ga2 C13 -123.8(4) . . . . ? Ga3 Ru1 Ga2 C13 -40.4(4) . . . . ? C34 Ru1 Ga2 C11 -79.2(3) . . . . ? C32 Ru1 Ga2 C11 -25.4(4) . . . . ? C31 Ru1 Ga2 C11 -98.1(4) . . . . ? C33 Ru1 Ga2 C11 -41.8(3) . . . . ? C35 Ru1 Ga2 C11 -109.7(3) . . . . ? Ga1 Ru1 Ga2 C11 69.1(3) . . . . ? Ga3 Ru1 Ga2 C11 152.5(3) . . . . ? C34 Ru1 Ga2 C14 22.5(3) . . . . ? C32 Ru1 Ga2 C14 76.3(3) . . . . ? C31 Ru1 Ga2 C14 3.6(4) . . . . ? C33 Ru1 Ga2 C14 59.9(3) . . . . ? C35 Ru1 Ga2 C14 -8.0(3) . . . . ? Ga1 Ru1 Ga2 C14 170.8(2) . . . . ? Ga3 Ru1 Ga2 C14 -105.8(2) . . . . ? C34 Ru1 Ga2 C15 -27.8(2) . . . . ? C32 Ru1 Ga2 C15 26.0(3) . . . . ? C31 Ru1 Ga2 C15 -46.6(4) . . . . ? C33 Ru1 Ga2 C15 9.6(2) . . . . ? C35 Ru1 Ga2 C15 -58.2(2) . . . . ? Ga1 Ru1 Ga2 C15 120.6(2) . . . . ? Ga3 Ru1 Ga2 C15 -156.1(2) . . . . ? C34 Ru1 Ga3 C21 50.1(3) . . . . ? C32 Ru1 Ga3 C21 -39.5(4) . . . . ? C31 Ru1 Ga3 C21 -16.1(3) . . . . ? C33 Ru1 Ga3 C21 20.9(6) . . . . ? C35 Ru1 Ga3 C21 22.3(3) . . . . ? Ga1 Ru1 Ga3 C21 -128.1(3) . . . . ? Ga2 Ru1 Ga3 C21 142.5(3) . . . . ? C34 Ru1 Ga3 Cl1 -129.24(17) . . . . ? C32 Ru1 Ga3 Cl1 141.1(2) . . . . ? C31 Ru1 Ga3 Cl1 164.53(15) . . . . ? C33 Ru1 Ga3 Cl1 -158.5(5) . . . . ? C35 Ru1 Ga3 Cl1 -157.09(15) . . . . ? Ga1 Ru1 Ga3 Cl1 52.51(5) . . . . ? Ga2 Ru1 Ga3 Cl1 -36.88(5) . . . . ? C5 Ga1 C1 C2 116.2(4) . . . . ? C4 Ga1 C1 C2 77.3(3) . . . . ? Ru1 Ga1 C1 C2 -98.0(4) . . . . ? C3 Ga1 C1 C2 35.6(3) . . . . ? C4 Ga1 C1 C5 -38.9(3) . . . . ? Ru1 Ga1 C1 C5 145.8(3) . . . . ? C3 Ga1 C1 C5 -80.6(3) . . . . ? C2 Ga1 C1 C5 -116.2(4) . . . . ? C5 Ga1 C1 C6 -119.2(6) . . . . ? C4 Ga1 C1 C6 -158.0(5) . . . . ? Ru1 Ga1 C1 C6 26.6(6) . . . . ? C3 Ga1 C1 C6 160.3(5) . . . . ? C2 Ga1 C1 C6 124.7(6) . . . . ? C5 C1 C2 C3 0.4(6) . . . . ? C6 C1 C2 C3 176.1(6) . . . . ? Ga1 C1 C2 C3 -60.6(4) . . . . ? C5 C1 C2 C7 -170.7(6) . . . . ? C6 C1 C2 C7 5.0(9) . . . . ? Ga1 C1 C2 C7 128.4(6) . . . . ? C5 C1 C2 Ga1 60.9(4) . . . . ? C6 C1 C2 Ga1 -123.4(6) . . . . ? C5 Ga1 C2 C1 -38.3(3) . . . . ? C4 Ga1 C2 C1 -81.4(3) . . . . ? Ru1 Ga1 C2 C1 134.0(3) . . . . ? C3 Ga1 C2 C1 -118.9(5) . . . . ? C5 Ga1 C2 C3 80.7(4) . . . . ? C4 Ga1 C2 C3 37.5(3) . . . . ? C1 Ga1 C2 C3 118.9(5) . . . . ? Ru1 Ga1 C2 C3 -107.1(3) . . . . ? C5 Ga1 C2 C7 -156.9(6) . . . . ? C4 Ga1 C2 C7 159.9(6) . . . . ? C1 Ga1 C2 C7 -118.6(7) . . . . ? Ru1 Ga1 C2 C7 15.4(7) . . . . ? C3 Ga1 C2 C7 122.4(7) . . . . ? C1 C2 C3 C4 -1.1(6) . . . . ? C7 C2 C3 C4 169.8(5) . . . . ? Ga1 C2 C3 C4 -60.9(4) . . . . ? C1 C2 C3 C8 -176.9(6) . . . . ? C7 C2 C3 C8 -6.0(10) . . . . ? Ga1 C2 C3 C8 123.3(6) . . . . ? C1 C2 C3 Ga1 59.8(4) . . . . ? C7 C2 C3 Ga1 -129.4(6) . . . . ? C5 Ga1 C3 C2 -78.2(3) . . . . ? C4 Ga1 C3 C2 -116.9(5) . . . . ? C1 Ga1 C3 C2 -35.7(3) . . . . ? Ru1 Ga1 C3 C2 114.1(3) . . . . ? C5 Ga1 C3 C4 38.6(3) . . . . ? C1 Ga1 C3 C4 81.1(3) . . . . ? Ru1 Ga1 C3 C4 -129.0(3) . . . . ? C2 Ga1 C3 C4 116.9(5) . . . . ? C5 Ga1 C3 C8 157.5(6) . . . . ? C4 Ga1 C3 C8 118.9(6) . . . . ? C1 Ga1 C3 C8 -160.0(6) . . . . ? Ru1 Ga1 C3 C8 -10.1(6) . . . . ? C2 Ga1 C3 C8 -124.2(6) . . . . ? C2 C3 C4 C5 1.3(6) . . . . ? C8 C3 C4 C5 177.2(6) . . . . ? Ga1 C3 C4 C5 -63.3(4) . . . . ? C2 C3 C4 C9 -175.8(6) . . . . ? C8 C3 C4 C9 0.1(9) . . . . ? Ga1 C3 C4 C9 119.6(6) . . . . ? C2 C3 C4 Ga1 64.6(4) . . . . ? C8 C3 C4 Ga1 -119.5(6) . . . . ? C1 Ga1 C4 C5 38.4(3) . . . . ? Ru1 Ga1 C4 C5 -145.7(3) . . . . ? C3 Ga1 C4 C5 115.4(5) . . . . ? C2 Ga1 C4 C5 79.0(3) . . . . ? C5 Ga1 C4 C3 -115.4(5) . . . . ? C1 Ga1 C4 C3 -77.0(3) . . . . ? Ru1 Ga1 C4 C3 98.9(4) . . . . ? C2 Ga1 C4 C3 -36.4(3) . . . . ? C5 Ga1 C4 C9 122.1(6) . . . . ? C1 Ga1 C4 C9 160.6(6) . . . . ? Ru1 Ga1 C4 C9 -23.5(7) . . . . ? C3 Ga1 C4 C9 -122.4(6) . . . . ? C2 Ga1 C4 C9 -158.8(5) . . . . ? C3 C4 C5 C1 -1.1(6) . . . . ? C9 C4 C5 C1 175.9(6) . . . . ? Ga1 C4 C5 C1 -67.9(4) . . . . ? C3 C4 C5 C10 -174.2(5) . . . . ? C9 C4 C5 C10 2.8(10) . . . . ? Ga1 C4 C5 C10 119.0(6) . . . . ? C3 C4 C5 Ga1 66.8(4) . . . . ? C9 C4 C5 Ga1 -116.2(6) . . . . ? C2 C1 C5 C4 0.5(6) . . . . ? C6 C1 C5 C4 -175.3(6) . . . . ? Ga1 C1 C5 C4 66.2(4) . . . . ? C2 C1 C5 C10 173.6(5) . . . . ? C6 C1 C5 C10 -2.1(9) . . . . ? Ga1 C1 C5 C10 -120.6(6) . . . . ? C2 C1 C5 Ga1 -65.8(4) . . . . ? C6 C1 C5 Ga1 118.5(6) . . . . ? C1 Ga1 C5 C4 -114.6(4) . . . . ? Ru1 Ga1 C5 C4 117.0(4) . . . . ? C3 Ga1 C5 C4 -37.5(3) . . . . ? C2 Ga1 C5 C4 -78.0(3) . . . . ? C4 Ga1 C5 C1 114.6(4) . . . . ? Ru1 Ga1 C5 C1 -128.5(4) . . . . ? C3 Ga1 C5 C1 77.0(3) . . . . ? C2 Ga1 C5 C1 36.6(3) . . . . ? C4 Ga1 C5 C10 -122.2(6) . . . . ? C1 Ga1 C5 C10 123.3(6) . . . . ? Ru1 Ga1 C5 C10 -5.2(8) . . . . ? C3 Ga1 C5 C10 -159.7(5) . . . . ? C2 Ga1 C5 C10 159.9(5) . . . . ? C12 Ga2 C11 C15 -116.2(5) . . . . ? C13 Ga2 C11 C15 -76.6(4) . . . . ? Ru1 Ga2 C11 C15 97.9(4) . . . . ? C14 Ga2 C11 C15 -35.5(3) . . . . ? C13 Ga2 C11 C12 39.6(4) . . . . ? Ru1 Ga2 C11 C12 -145.9(3) . . . . ? C14 Ga2 C11 C12 80.6(4) . . . . ? C15 Ga2 C11 C12 116.2(5) . . . . ? C12 Ga2 C11 C16 120.3(7) . . . . ? C13 Ga2 C11 C16 159.8(6) . . . . ? Ru1 Ga2 C11 C16 -25.7(6) . . . . ? C14 Ga2 C11 C16 -159.1(6) . . . . ? C15 Ga2 C11 C16 -123.5(6) . . . . ? C15 C11 C12 C13 1.3(5) . . . . ? C16 C11 C12 C13 -179.4(5) . . . . ? Ga2 C11 C12 C13 -65.4(3) . . . . ? C15 C11 C12 C17 -171.6(5) . . . . ? C16 C11 C12 C17 7.6(9) . . . . ? Ga2 C11 C12 C17 121.6(5) . . . . ? C15 C11 C12 Ga2 66.7(4) . . . . ? C16 C11 C12 Ga2 -114.0(6) . . . . ? C13 Ga2 C12 C11 -113.7(5) . . . . ? Ru1 Ga2 C12 C11 97.6(5) . . . . ? C14 Ga2 C12 C11 -76.5(4) . . . . ? C15 Ga2 C12 C11 -36.6(4) . . . . ? C11 Ga2 C12 C13 113.7(5) . . . . ? Ru1 Ga2 C12 C13 -148.7(4) . . . . ? C14 Ga2 C12 C13 37.2(3) . . . . ? C15 Ga2 C12 C13 77.1(4) . . . . ? C13 Ga2 C12 C17 122.1(6) . . . . ? C11 Ga2 C12 C17 -124.2(7) . . . . ? Ru1 Ga2 C12 C17 -26.6(8) . . . . ? C14 Ga2 C12 C17 159.3(5) . . . . ? C15 Ga2 C12 C17 -160.9(6) . . . . ? C11 C12 C13 C14 -1.1(5) . . . . ? C17 C12 C13 C14 171.9(5) . . . . ? Ga2 C12 C13 C14 -68.5(3) . . . . ? C11 C12 C13 C18 -175.5(5) . . . . ? C17 C12 C13 C18 -2.5(8) . . . . ? Ga2 C12 C13 C18 117.2(5) . . . . ? C11 C12 C13 Ga2 67.3(3) . . . . ? C17 C12 C13 Ga2 -119.7(5) . . . . ? C12 Ga2 C13 C14 115.0(5) . . . . ? C11 Ga2 C13 C14 76.2(4) . . . . ? Ru1 Ga2 C13 C14 -94.5(5) . . . . ? C15 Ga2 C13 C14 35.5(3) . . . . ? C11 Ga2 C13 C12 -38.8(3) . . . . ? Ru1 Ga2 C13 C12 150.4(3) . . . . ? C14 Ga2 C13 C12 -115.0(5) . . . . ? C15 Ga2 C13 C12 -79.6(3) . . . . ? C12 Ga2 C13 C18 -120.4(7) . . . . ? C11 Ga2 C13 C18 -159.2(6) . . . . ? Ru1 Ga2 C13 C18 30.1(8) . . . . ? C14 Ga2 C13 C18 124.6(7) . . . . ? C15 Ga2 C13 C18 160.1(6) . . . . ? C12 C13 C14 C15 0.5(6) . . . . ? C18 C13 C14 C15 174.8(5) . . . . ? Ga2 C13 C14 C15 -64.1(4) . . . . ? C12 C13 C14 C19 -177.7(5) . . . . ? C18 C13 C14 C19 -3.4(9) . . . . ? Ga2 C13 C14 C19 117.8(5) . . . . ? C12 C13 C14 Ga2 64.5(3) . . . . ? C18 C13 C14 Ga2 -121.1(5) . . . . ? C12 Ga2 C14 C13 -39.3(3) . . . . ? C11 Ga2 C14 C13 -82.0(4) . . . . ? Ru1 Ga2 C14 C13 144.0(3) . . . . ? C15 Ga2 C14 C13 -118.3(5) . . . . ? C12 Ga2 C14 C15 79.0(4) . . . . ? C13 Ga2 C14 C15 118.3(5) . . . . ? C11 Ga2 C14 C15 36.3(3) . . . . ? Ru1 Ga2 C14 C15 -97.7(3) . . . . ? C12 Ga2 C14 C19 -158.8(6) . . . . ? C13 Ga2 C14 C19 -119.6(7) . . . . ? C11 Ga2 C14 C19 158.4(6) . . . . ? Ru1 Ga2 C14 C19 24.4(7) . . . . ? C15 Ga2 C14 C19 122.2(7) . . . . ? C13 C14 C15 C11 0.4(6) . . . . ? C19 C14 C15 C11 178.6(5) . . . . ? Ga2 C14 C15 C11 -59.4(4) . . . . ? C13 C14 C15 C20 -175.4(5) . . . . ? C19 C14 C15 C20 2.8(9) . . . . ? Ga2 C14 C15 C20 124.9(6) . . . . ? C13 C14 C15 Ga2 59.7(4) . . . . ? C19 C14 C15 Ga2 -122.1(5) . . . . ? C12 C11 C15 C14 -1.1(6) . . . . ? C16 C11 C15 C14 179.7(5) . . . . ? Ga2 C11 C15 C14 60.7(4) . . . . ? C12 C11 C15 C20 175.0(5) . . . . ? C16 C11 C15 C20 -4.3(8) . . . . ? Ga2 C11 C15 C20 -123.2(5) . . . . ? C12 C11 C15 Ga2 -61.8(3) . . . . ? C16 C11 C15 Ga2 118.9(6) . . . . ? C12 Ga2 C15 C14 -80.1(4) . . . . ? C13 Ga2 C15 C14 -36.5(3) . . . . ? C11 Ga2 C15 C14 -118.3(5) . . . . ? Ru1 Ga2 C15 C14 120.3(3) . . . . ? C12 Ga2 C15 C11 38.3(3) . . . . ? C13 Ga2 C15 C11 81.9(3) . . . . ? Ru1 Ga2 C15 C11 -121.3(3) . . . . ? C14 Ga2 C15 C11 118.3(5) . . . . ? C12 Ga2 C15 C20 154.6(6) . . . . ? C13 Ga2 C15 C20 -161.8(6) . . . . ? C11 Ga2 C15 C20 116.4(7) . . . . ? Ru1 Ga2 C15 C20 -4.9(7) . . . . ? C14 Ga2 C15 C20 -125.3(7) . . . . ? Cl1 Ga3 C21 C22 -153.9(4) . . . . ? Ru1 Ga3 C21 C22 26.7(6) . . . . ? Cl1 Ga3 C21 C25 99.9(3) . . . . ? Ru1 Ga3 C21 C25 -79.5(4) . . . . ? Cl1 Ga3 C21 C26 -25.9(4) . . . . ? Ru1 Ga3 C21 C26 154.7(3) . . . . ? C25 C21 C22 C23 2.3(6) . . . . ? C26 C21 C22 C23 133.2(5) . . . . ? Ga3 C21 C22 C23 -100.1(4) . . . . ? C25 C21 C22 C27 -174.3(5) . . . . ? C26 C21 C22 C27 -43.4(7) . . . . ? Ga3 C21 C22 C27 83.3(6) . . . . ? C21 C22 C23 C24 -1.5(6) . . . . ? C27 C22 C23 C24 174.9(5) . . . . ? C21 C22 C23 C28 178.2(5) . . . . ? C27 C22 C23 C28 -5.4(10) . . . . ? C22 C23 C24 C25 -0.1(6) . . . . ? C28 C23 C24 C25 -179.8(5) . . . . ? C22 C23 C24 C29 179.6(5) . . . . ? C28 C23 C24 C29 -0.1(8) . . . . ? C23 C24 C25 C21 1.6(6) . . . . ? C29 C24 C25 C21 -178.1(5) . . . . ? C23 C24 C25 C30 -176.9(5) . . . . ? C29 C24 C25 C30 3.5(9) . . . . ? C22 C21 C25 C24 -2.3(6) . . . . ? C26 C21 C25 C24 -131.9(5) . . . . ? Ga3 C21 C25 C24 105.4(4) . . . . ? C22 C21 C25 C30 176.2(5) . . . . ? C26 C21 C25 C30 46.7(7) . . . . ? Ga3 C21 C25 C30 -76.0(5) . . . . ? C34 Ru1 C31 C35 -37.6(3) . . . . ? C32 Ru1 C31 C35 -116.9(4) . . . . ? C33 Ru1 C31 C35 -80.2(3) . . . . ? Ga1 Ru1 C31 C35 177.5(2) . . . . ? Ga2 Ru1 C31 C35 -16.4(5) . . . . ? Ga3 Ru1 C31 C35 89.0(3) . . . . ? C34 Ru1 C31 C32 79.4(3) . . . . ? C33 Ru1 C31 C32 36.8(3) . . . . ? C35 Ru1 C31 C32 116.9(4) . . . . ? Ga1 Ru1 C31 C32 -65.5(3) . . . . ? Ga2 Ru1 C31 C32 100.5(4) . . . . ? Ga3 Ru1 C31 C32 -154.0(3) . . . . ? C34 Ru1 C31 C36 -160.4(6) . . . . ? C32 Ru1 C31 C36 120.2(6) . . . . ? C33 Ru1 C31 C36 157.0(6) . . . . ? C35 Ru1 C31 C36 -122.8(6) . . . . ? Ga1 Ru1 C31 C36 54.7(5) . . . . ? Ga2 Ru1 C31 C36 -139.2(4) . . . . ? Ga3 Ru1 C31 C36 -33.8(5) . . . . ? C35 C31 C32 C33 0.2(5) . . . . ? C36 C31 C32 C33 172.8(4) . . . . ? Ru1 C31 C32 C33 -62.2(3) . . . . ? C35 C31 C32 C37 -171.3(5) . . . . ? C36 C31 C32 C37 1.3(8) . . . . ? Ru1 C31 C32 C37 126.2(5) . . . . ? C35 C31 C32 Ru1 62.4(3) . . . . ? C36 C31 C32 Ru1 -125.0(5) . . . . ? C34 Ru1 C32 C33 37.9(3) . . . . ? C31 Ru1 C32 C33 117.9(5) . . . . ? C35 Ru1 C32 C33 80.4(3) . . . . ? Ga1 Ru1 C32 C33 -119.2(3) . . . . ? Ga2 Ru1 C32 C33 -26.7(4) . . . . ? Ga3 Ru1 C32 C33 156.4(2) . . . . ? C34 Ru1 C32 C31 -80.0(3) . . . . ? C33 Ru1 C32 C31 -117.9(5) . . . . ? C35 Ru1 C32 C31 -37.6(3) . . . . ? Ga1 Ru1 C32 C31 122.8(3) . . . . ? Ga2 Ru1 C32 C31 -144.6(3) . . . . ? Ga3 Ru1 C32 C31 38.5(4) . . . . ? C34 Ru1 C32 C37 159.8(6) . . . . ? C31 Ru1 C32 C37 -120.2(7) . . . . ? C33 Ru1 C32 C37 121.8(7) . . . . ? C35 Ru1 C32 C37 -157.8(6) . . . . ? Ga1 Ru1 C32 C37 2.6(5) . . . . ? Ga2 Ru1 C32 C37 95.2(6) . . . . ? Ga3 Ru1 C32 C37 -81.8(6) . . . . ? C31 C32 C33 C34 0.1(5) . . . . ? C37 C32 C33 C34 171.6(4) . . . . ? Ru1 C32 C33 C34 -61.7(3) . . . . ? C31 C32 C33 C38 -172.7(5) . . . . ? C37 C32 C33 C38 -1.3(8) . . . . ? Ru1 C32 C33 C38 125.5(5) . . . . ? C31 C32 C33 Ru1 61.8(3) . . . . ? C37 C32 C33 Ru1 -126.8(5) . . . . ? C34 Ru1 C33 C32 -117.0(4) . . . . ? C31 Ru1 C33 C32 -37.8(3) . . . . ? C35 Ru1 C33 C32 -80.1(3) . . . . ? Ga1 Ru1 C33 C32 68.4(3) . . . . ? Ga2 Ru1 C33 C32 162.7(3) . . . . ? Ga3 Ru1 C33 C32 -78.6(6) . . . . ? C32 Ru1 C33 C34 117.0(4) . . . . ? C31 Ru1 C33 C34 79.3(3) . . . . ? C35 Ru1 C33 C34 36.9(3) . . . . ? Ga1 Ru1 C33 C34 -174.6(2) . . . . ? Ga2 Ru1 C33 C34 -80.3(3) . . . . ? Ga3 Ru1 C33 C34 38.4(7) . . . . ? C34 Ru1 C33 C38 120.4(7) . . . . ? C32 Ru1 C33 C38 -122.6(7) . . . . ? C31 Ru1 C33 C38 -160.3(6) . . . . ? C35 Ru1 C33 C38 157.4(6) . . . . ? Ga1 Ru1 C33 C38 -54.2(6) . . . . ? Ga2 Ru1 C33 C38 40.1(6) . . . . ? Ga3 Ru1 C33 C38 158.9(4) . . . . ? C32 C33 C34 C35 -0.4(5) . . . . ? C38 C33 C34 C35 172.6(5) . . . . ? Ru1 C33 C34 C35 -62.3(3) . . . . ? C32 C33 C34 C39 -170.8(5) . . . . ? C38 C33 C34 C39 2.1(8) . . . . ? Ru1 C33 C34 C39 127.3(5) . . . . ? C32 C33 C34 Ru1 61.9(3) . . . . ? C38 C33 C34 Ru1 -125.1(5) . . . . ? C32 Ru1 C34 C35 80.9(3) . . . . ? C31 Ru1 C34 C35 37.6(3) . . . . ? C33 Ru1 C34 C35 118.3(4) . . . . ? Ga1 Ru1 C34 C35 127.9(3) . . . . ? Ga2 Ru1 C34 C35 -134.6(3) . . . . ? Ga3 Ru1 C34 C35 -48.9(3) . . . . ? C32 Ru1 C34 C33 -37.4(3) . . . . ? C31 Ru1 C34 C33 -80.7(3) . . . . ? C35 Ru1 C34 C33 -118.3(4) . . . . ? Ga1 Ru1 C34 C33 9.5(4) . . . . ? Ga2 Ru1 C34 C33 107.1(3) . . . . ? Ga3 Ru1 C34 C33 -167.2(2) . . . . ? C32 Ru1 C34 C39 -161.3(6) . . . . ? C31 Ru1 C34 C39 155.4(6) . . . . ? C33 Ru1 C34 C39 -123.9(6) . . . . ? C35 Ru1 C34 C39 117.8(6) . . . . ? Ga1 Ru1 C34 C39 -114.3(5) . . . . ? Ga2 Ru1 C34 C39 -16.8(5) . . . . ? Ga3 Ru1 C34 C39 68.9(5) . . . . ? C33 C34 C35 C31 0.5(5) . . . . ? C39 C34 C35 C31 171.5(4) . . . . ? Ru1 C34 C35 C31 -61.7(3) . . . . ? C33 C34 C35 C40 -171.3(5) . . . . ? C39 C34 C35 C40 -0.3(7) . . . . ? Ru1 C34 C35 C40 126.5(5) . . . . ? C33 C34 C35 Ru1 62.2(3) . . . . ? C39 C34 C35 Ru1 -126.8(4) . . . . ? C32 C31 C35 C34 -0.4(5) . . . . ? C36 C31 C35 C34 -172.9(4) . . . . ? Ru1 C31 C35 C34 61.5(3) . . . . ? C32 C31 C35 C40 171.4(5) . . . . ? C36 C31 C35 C40 -1.1(8) . . . . ? Ru1 C31 C35 C40 -126.7(5) . . . . ? C32 C31 C35 Ru1 -62.0(3) . . . . ? C36 C31 C35 Ru1 125.6(5) . . . . ? C32 Ru1 C35 C34 -79.1(3) . . . . ? C31 Ru1 C35 C34 -117.3(4) . . . . ? C33 Ru1 C35 C34 -37.1(3) . . . . ? Ga1 Ru1 C35 C34 -121.9(3) . . . . ? Ga2 Ru1 C35 C34 55.6(3) . . . . ? Ga3 Ru1 C35 C34 143.3(3) . . . . ? C34 Ru1 C35 C31 117.3(4) . . . . ? C32 Ru1 C35 C31 38.2(3) . . . . ? C33 Ru1 C35 C31 80.1(3) . . . . ? Ga1 Ru1 C35 C31 -4.6(4) . . . . ? Ga2 Ru1 C35 C31 172.9(2) . . . . ? Ga3 Ru1 C35 C31 -99.4(3) . . . . ? C34 Ru1 C35 C40 -121.3(6) . . . . ? C32 Ru1 C35 C40 159.6(6) . . . . ? C31 Ru1 C35 C40 121.4(6) . . . . ? C33 Ru1 C35 C40 -158.4(6) . . . . ? Ga1 Ru1 C35 C40 116.8(5) . . . . ? Ga2 Ru1 C35 C40 -65.7(5) . . . . ? Ga3 Ru1 C35 C40 22.0(5) . . . . ? _diffrn_measured_fraction_theta_max 0.980 _diffrn_reflns_theta_full 25.07 _diffrn_measured_fraction_theta_full 0.980 _refine_diff_density_max 0.596 _refine_diff_density_min -0.595 _refine_diff_density_rms 0.094 #=================================================END data_9 _database_code_depnum_ccdc_archive 'CCDC 246346' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C128 H157 B2 Ga6 Ru2' _chemical_formula_weight 2337.62 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 17.208(5) _cell_length_b 18.071(2) _cell_length_c 22.538(6) _cell_angle_alpha 88.597(17) _cell_angle_beta 86.16(2) _cell_angle_gamma 88.048(16) _cell_volume 6987(3) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 14690 _cell_measurement_theta_min 3.17 _cell_measurement_theta_max 25.05 _exptl_crystal_description plates _exptl_crystal_colour yellow _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.111 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2418 _exptl_absorpt_coefficient_mu 1.387 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'multiwire proportional' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 28484 _diffrn_reflns_av_R_equivalents 0.0367 _diffrn_reflns_av_sigmaI/netI 0.0854 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 3.17 _diffrn_reflns_theta_max 25.05 _reflns_number_total 23084 _reflns_number_gt 14690 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker FRAMBO' _computing_cell_refinement 'Bruker FRAMBO' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0621P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 23084 _refine_ls_number_parameters 1243 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0732 _refine_ls_R_factor_gt 0.0493 _refine_ls_wR_factor_ref 0.1238 _refine_ls_wR_factor_gt 0.1143 _refine_ls_goodness_of_fit_ref 0.895 _refine_ls_restrained_S_all 0.895 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.76793(2) 0.49743(2) 0.842121(16) 0.01450(10) Uani 1 1 d . . . Ga1 Ga 0.67996(3) 0.55839(3) 0.77868(2) 0.02014(13) Uani 1 1 d . . . Ga2 Ga 0.81124(3) 0.41009(3) 0.76802(2) 0.02129(13) Uani 1 1 d . . . Ga3 Ga 0.86813(3) 0.57897(3) 0.80641(2) 0.01975(13) Uani 1 1 d . . . B1 B 0.7288(3) 0.5864(3) 1.1551(3) 0.0223(13) Uani 1 1 d . . . C1 C 0.6814(3) 0.5070(3) 0.9198(2) 0.0193(11) Uani 1 1 d . . . C2 C 0.7520(3) 0.5370(2) 0.9344(2) 0.0188(11) Uani 1 1 d . . . C3 C 0.8109(3) 0.4783(3) 0.9316(2) 0.0223(11) Uani 1 1 d . . . C4 C 0.7754(3) 0.4127(2) 0.91372(19) 0.0194(11) Uani 1 1 d . . . C5 C 0.6952(3) 0.4304(3) 0.9060(2) 0.0203(11) Uani 1 1 d . . . C6 C 0.6027(3) 0.5452(3) 0.9271(2) 0.0291(12) Uani 1 1 d . . . H6A H 0.5810 0.5380 0.9680 0.044 Uiso 1 1 calc R . . H6B H 0.5678 0.5244 0.8996 0.044 Uiso 1 1 calc R . . H6C H 0.6077 0.5983 0.9183 0.044 Uiso 1 1 calc R . . C7 C 0.7604(3) 0.6135(3) 0.9570(2) 0.0240(12) Uani 1 1 d . . . H7A H 0.7497 0.6131 1.0003 0.036 Uiso 1 1 calc R . . H7B H 0.7234 0.6477 0.9385 0.036 Uiso 1 1 calc R . . H7C H 0.8136 0.6295 0.9472 0.036 Uiso 1 1 calc R . . C8 C 0.8912(3) 0.4798(3) 0.9521(2) 0.0272(12) Uani 1 1 d . . . H8A H 0.8899 0.4680 0.9948 0.041 Uiso 1 1 calc R . . H8B H 0.9119 0.5292 0.9445 0.041 Uiso 1 1 calc R . . H8C H 0.9246 0.4431 0.9305 0.041 Uiso 1 1 calc R . . C9 C 0.8138(4) 0.3369(3) 0.9136(2) 0.0349(14) Uani 1 1 d . . . H9A H 0.8059 0.3136 0.9532 0.052 Uiso 1 1 calc R . . H9B H 0.8698 0.3410 0.9034 0.052 Uiso 1 1 calc R . . H9C H 0.7910 0.3066 0.8843 0.052 Uiso 1 1 calc R . . C10 C 0.6338(3) 0.3764(3) 0.8946(2) 0.0323(13) Uani 1 1 d . . . H10A H 0.6121 0.3559 0.9326 0.048 Uiso 1 1 calc R . . H10B H 0.6570 0.3361 0.8703 0.048 Uiso 1 1 calc R . . H10C H 0.5922 0.4018 0.8736 0.048 Uiso 1 1 calc R . . C11 C 0.5857(3) 0.6555(3) 0.7869(2) 0.0222(11) Uani 1 1 d . . . C12 C 0.5509(3) 0.5913(2) 0.7678(2) 0.0202(11) Uani 1 1 d . . . C13 C 0.5892(3) 0.5719(3) 0.7124(2) 0.0247(12) Uani 1 1 d . . . C14 C 0.6475(3) 0.6240(3) 0.6967(2) 0.0240(12) Uani 1 1 d . . . C15 C 0.6449(3) 0.6754(2) 0.7432(2) 0.0209(11) Uani 1 1 d . . . C16 C 0.5608(3) 0.7013(3) 0.8407(2) 0.0293(13) Uani 1 1 d . . . H16A H 0.5201 0.7376 0.8303 0.044 Uiso 1 1 calc R . . H16B H 0.6057 0.7271 0.8535 0.044 Uiso 1 1 calc R . . H16C H 0.5404 0.6687 0.8731 0.044 Uiso 1 1 calc R . . C17 C 0.4816(3) 0.5534(3) 0.7974(3) 0.0355(14) Uani 1 1 d . . . H17A H 0.4336 0.5780 0.7848 0.053 Uiso 1 1 calc R . . H17B H 0.4831 0.5561 0.8406 0.053 Uiso 1 1 calc R . . H17C H 0.4830 0.5014 0.7859 0.053 Uiso 1 1 calc R . . C18 C 0.5643(4) 0.5113(3) 0.6731(3) 0.0443(17) Uani 1 1 d . . . H18A H 0.5243 0.5312 0.6476 0.066 Uiso 1 1 calc R . . H18B H 0.5432 0.4706 0.6980 0.066 Uiso 1 1 calc R . . H18C H 0.6095 0.4929 0.6483 0.066 Uiso 1 1 calc R . . C19 C 0.6978(4) 0.6260(3) 0.6400(2) 0.0443(16) Uani 1 1 d . . . H19A H 0.6722 0.6573 0.6104 0.066 Uiso 1 1 calc R . . H19B H 0.7059 0.5757 0.6250 0.066 Uiso 1 1 calc R . . H19C H 0.7482 0.6464 0.6474 0.066 Uiso 1 1 calc R . . C20 C 0.6944(3) 0.7438(3) 0.7466(3) 0.0362(14) Uani 1 1 d . . . C21 C 0.8399(3) 0.3712(3) 0.6738(2) 0.0251(12) Uani 1 1 d . . . C22 C 0.7688(3) 0.3371(3) 0.6960(2) 0.0300(13) Uani 1 1 d . . . C23 C 0.7874(3) 0.2882(3) 0.7443(2) 0.0270(12) Uani 1 1 d . . . C24 C 0.8684(3) 0.2919(3) 0.7518(2) 0.0243(12) Uani 1 1 d . . . C25 C 0.9015(3) 0.3431(3) 0.7085(2) 0.0233(11) Uani 1 1 d . . . C26 C 0.8495(3) 0.4213(3) 0.6204(2) 0.0323(13) Uani 1 1 d . . . H26A H 0.8616 0.3916 0.5849 0.048 Uiso 1 1 calc R . . H26B H 0.8920 0.4548 0.6253 0.048 Uiso 1 1 calc R . . H26C H 0.8010 0.4503 0.6158 0.048 Uiso 1 1 calc R . . C27 C 0.6908(3) 0.3487(3) 0.6716(3) 0.0434(16) Uani 1 1 d . . . H27A H 0.6848 0.3125 0.6406 0.065 Uiso 1 1 calc R . . H27B H 0.6863 0.3989 0.6544 0.065 Uiso 1 1 calc R . . H27C H 0.6500 0.3422 0.7036 0.065 Uiso 1 1 calc R . . C28 C 0.7306(3) 0.2386(3) 0.7768(3) 0.0402(15) Uani 1 1 d . . . H28A H 0.7322 0.1905 0.7576 0.060 Uiso 1 1 calc R . . H28B H 0.6780 0.2610 0.7760 0.060 Uiso 1 1 calc R . . H28C H 0.7443 0.2318 0.8181 0.060 Uiso 1 1 calc R . . C29 C 0.9158(3) 0.2440(3) 0.7919(3) 0.0365(14) Uani 1 1 d . . . H29A H 0.9311 0.1976 0.7721 0.055 Uiso 1 1 calc R . . H29B H 0.8847 0.2331 0.8289 0.055 Uiso 1 1 calc R . . H29C H 0.9625 0.2699 0.8009 0.055 Uiso 1 1 calc R . . C30 C 0.9866(3) 0.3542(3) 0.6969(2) 0.0307(13) Uani 1 1 d . . . H30A H 1.0085 0.3172 0.6688 0.046 Uiso 1 1 calc R . . H30B H 1.0123 0.3486 0.7343 0.046 Uiso 1 1 calc R . . H30C H 0.9949 0.4040 0.6800 0.046 Uiso 1 1 calc R . . C31 C 0.9690(3) 0.6077(3) 0.7384(2) 0.0200(11) Uani 1 1 d . . . C32 C 1.0010(3) 0.5819(3) 0.7911(2) 0.0200(11) Uani 1 1 d . . . C33 C 0.9779(3) 0.6313(3) 0.8368(2) 0.0227(11) Uani 1 1 d . . . C34 C 0.9306(3) 0.6892(3) 0.8126(2) 0.0227(11) Uani 1 1 d . . . C35 C 0.9253(3) 0.6756(3) 0.7514(2) 0.0220(11) Uani 1 1 d . . . C36 C 0.9825(3) 0.5747(3) 0.6767(2) 0.0350(14) Uani 1 1 d . . . H36A H 1.0288 0.5960 0.6562 0.052 Uiso 1 1 calc R . . H36B H 0.9371 0.5860 0.6538 0.052 Uiso 1 1 calc R . . H36C H 0.9904 0.5209 0.6807 0.052 Uiso 1 1 calc R . . C37 C 1.0509(3) 0.5119(3) 0.7948(3) 0.0331(13) Uani 1 1 d . . . H37A H 1.1058 0.5237 0.7870 0.050 Uiso 1 1 calc R . . H37B H 1.0360 0.4771 0.7652 0.050 Uiso 1 1 calc R . . H37C H 1.0432 0.4894 0.8347 0.050 Uiso 1 1 calc R . . C38 C 1.0067(3) 0.6301(3) 0.8991(2) 0.0359(14) Uani 1 1 d . . . H38A H 1.0554 0.6567 0.8987 0.054 Uiso 1 1 calc R . . H38B H 1.0160 0.5787 0.9123 0.054 Uiso 1 1 calc R . . H38C H 0.9673 0.6540 0.9263 0.054 Uiso 1 1 calc R . . C39 C 0.8947(3) 0.7553(3) 0.8449(3) 0.0343(14) Uani 1 1 d . . . H39A H 0.9313 0.7958 0.8420 0.052 Uiso 1 1 calc R . . H39B H 0.8831 0.7418 0.8869 0.052 Uiso 1 1 calc R . . H39C H 0.8464 0.7713 0.8270 0.052 Uiso 1 1 calc R . . C40 C 0.8922(3) 0.7260(3) 0.7052(3) 0.0368(14) Uani 1 1 d . . . H40A H 0.9315 0.7613 0.6906 0.055 Uiso 1 1 calc R . . H40B H 0.8463 0.7531 0.7227 0.055 Uiso 1 1 calc R . . H40C H 0.8771 0.6968 0.6721 0.055 Uiso 1 1 calc R . . C41 C 0.7155(3) 0.5099(2) 1.1185(2) 0.0201(11) Uani 1 1 d . . . C42 C 0.6505(3) 0.5002(3) 1.0861(2) 0.0236(12) Uani 1 1 d . . . H42A H 0.6119 0.5389 1.0845 0.028 Uiso 1 1 calc R . . C43 C 0.6409(3) 0.4343(3) 1.0556(2) 0.0263(12) Uani 1 1 d . . . H43A H 0.5958 0.4291 1.0341 0.032 Uiso 1 1 calc R . . C44 C 0.6960(3) 0.3774(3) 1.0568(2) 0.0276(13) Uani 1 1 d . . . H44A H 0.6894 0.3332 1.0360 0.033 Uiso 1 1 calc R . . C45 C 0.7609(3) 0.3855(3) 1.0885(2) 0.0271(12) Uani 1 1 d . . . H45A H 0.7998 0.3469 1.0892 0.033 Uiso 1 1 calc R . . C46 C 0.7694(3) 0.4501(3) 1.1195(2) 0.0247(12) Uani 1 1 d . . . H46A H 0.8136 0.4538 1.1422 0.030 Uiso 1 1 calc R . . C47 C 0.7498(3) 0.5663(3) 1.2241(2) 0.0200(11) Uani 1 1 d . . . C48 C 0.7217(3) 0.5030(3) 1.2546(2) 0.0273(12) Uani 1 1 d . . . H48A H 0.6926 0.4696 1.2338 0.033 Uiso 1 1 calc R . . C49 C 0.7343(3) 0.4868(3) 1.3140(2) 0.0304(13) Uani 1 1 d . . . H49A H 0.7126 0.4441 1.3331 0.036 Uiso 1 1 calc R . . C50 C 0.7786(3) 0.5332(3) 1.3454(2) 0.0325(13) Uani 1 1 d . . . H50A H 0.7886 0.5222 1.3857 0.039 Uiso 1 1 calc R . . C51 C 0.8076(3) 0.5953(3) 1.3169(2) 0.0282(12) Uani 1 1 d . . . H51A H 0.8375 0.6280 1.3379 0.034 Uiso 1 1 calc R . . C52 C 0.7939(3) 0.6112(3) 1.2579(2) 0.0247(12) Uani 1 1 d . . . H52A H 0.8153 0.6545 1.2396 0.030 Uiso 1 1 calc R . . C53 C 0.6475(3) 0.6386(3) 1.1578(2) 0.0233(12) Uani 1 1 d . . . C54 C 0.6279(3) 0.6855(3) 1.1097(2) 0.0298(13) Uani 1 1 d . . . H54A H 0.6627 0.6877 1.0752 0.036 Uiso 1 1 calc R . . C55 C 0.5602(3) 0.7281(3) 1.1110(3) 0.0346(14) Uani 1 1 d . . . H55A H 0.5493 0.7585 1.0773 0.041 Uiso 1 1 calc R . . C56 C 0.5079(3) 0.7278(3) 1.1596(3) 0.0314(13) Uani 1 1 d . . . H56A H 0.4621 0.7587 1.1604 0.038 Uiso 1 1 calc R . . C57 C 0.5232(3) 0.6813(3) 1.2075(2) 0.0299(13) Uani 1 1 d . . . H57A H 0.4867 0.6787 1.2410 0.036 Uiso 1 1 calc R . . C58 C 0.5921(3) 0.6382(3) 1.2067(2) 0.0246(12) Uani 1 1 d . . . H58A H 0.6020 0.6075 1.2404 0.029 Uiso 1 1 calc R . . C59 C 0.8011(3) 0.6336(3) 1.1227(2) 0.0214(11) Uani 1 1 d . . . C60 C 0.8066(3) 0.7096(3) 1.1329(2) 0.0308(13) Uani 1 1 d . . . H60A H 0.7656 0.7345 1.1555 0.037 Uiso 1 1 calc R . . C61 C 0.8712(4) 0.7498(3) 1.1106(3) 0.0435(16) Uani 1 1 d . . . H61A H 0.8739 0.8008 1.1193 0.052 Uiso 1 1 calc R . . C62 C 0.9306(3) 0.7156(3) 1.0759(2) 0.0331(13) Uani 1 1 d . . . H62A H 0.9742 0.7427 1.0608 0.040 Uiso 1 1 calc R . . C63 C 0.9255(3) 0.6413(3) 1.0637(2) 0.0288(12) Uani 1 1 d . . . H63A H 0.9658 0.6169 1.0399 0.035 Uiso 1 1 calc R . . C64 C 0.8612(3) 0.6023(3) 1.0863(2) 0.0209(11) Uani 1 1 d . . . H64A H 0.8583 0.5518 1.0764 0.025 Uiso 1 1 calc R . . Ru1A Ru 0.28230(2) 0.944089(19) 0.653692(16) 0.01449(10) Uani 1 1 d . . . Ga1A Ga 0.36603(3) 0.86803(3) 0.71133(2) 0.02054(13) Uani 1 1 d . . . Ga2A Ga 0.17430(3) 0.86677(3) 0.67708(2) 0.02008(13) Uani 1 1 d . . . Ga3A Ga 0.24499(3) 1.01912(3) 0.73759(2) 0.02320(14) Uani 1 1 d . . . B1A B 0.2420(3) 0.9659(3) 0.3375(2) 0.0179(12) Uani 1 1 d . . . C1A C 0.3121(3) 1.0422(3) 0.5983(2) 0.0228(11) Uani 1 1 d . . . C2A C 0.2449(3) 1.0108(3) 0.5766(2) 0.0230(11) Uani 1 1 d . . . C3A C 0.2659(3) 0.9378(3) 0.5575(2) 0.0224(11) Uani 1 1 d . . . C4A C 0.3465(3) 0.9244(2) 0.5666(2) 0.0202(11) Uani 1 1 d . . . C5A C 0.3756(3) 0.9894(3) 0.5921(2) 0.0190(11) Uani 1 1 d . . . C6A C 0.3188(4) 1.1217(3) 0.6132(2) 0.0440(17) Uani 1 1 d . . . H6AA H 0.3331 1.1504 0.5769 0.066 Uiso 1 1 calc R . . H6AB H 0.3591 1.1261 0.6416 0.066 Uiso 1 1 calc R . . H6AC H 0.2688 1.1407 0.6310 0.066 Uiso 1 1 calc R . . C7A C 0.1681(3) 1.0503(3) 0.5675(2) 0.0413(15) Uani 1 1 d . . . H7AA H 0.1704 1.0752 0.5283 0.062 Uiso 1 1 calc R . . H7AB H 0.1573 1.0870 0.5985 0.062 Uiso 1 1 calc R . . H7AC H 0.1266 1.0143 0.5697 0.062 Uiso 1 1 calc R . . C8A C 0.2167(3) 0.8882(3) 0.5250(2) 0.0342(14) Uani 1 1 d . . . H8AA H 0.2223 0.9002 0.4824 0.051 Uiso 1 1 calc R . . H8AB H 0.1620 0.8952 0.5395 0.051 Uiso 1 1 calc R . . H8AC H 0.2336 0.8365 0.5319 0.051 Uiso 1 1 calc R . . C9A C 0.3964(3) 0.8594(3) 0.5433(2) 0.0274(12) Uani 1 1 d . . . H9AA H 0.4159 0.8702 0.5023 0.041 Uiso 1 1 calc R . . H9AB H 0.3651 0.8150 0.5444 0.041 Uiso 1 1 calc R . . H9AC H 0.4405 0.8509 0.5682 0.041 Uiso 1 1 calc R . . C10A C 0.4593(3) 1.0031(3) 0.6006(2) 0.0346(14) Uani 1 1 d . . . H10D H 0.4842 1.0232 0.5636 0.052 Uiso 1 1 calc R . . H10E H 0.4860 0.9564 0.6115 0.052 Uiso 1 1 calc R . . H10F H 0.4626 1.0386 0.6325 0.052 Uiso 1 1 calc R . . C11A C 0.3950(3) 0.7687(3) 0.7713(2) 0.0256(12) Uani 1 1 d . . . C12A C 0.4264(3) 0.8341(3) 0.7944(2) 0.0321(13) Uani 1 1 d . . . C13A C 0.4847(3) 0.8581(3) 0.7516(3) 0.0351(15) Uani 1 1 d . . . C14A C 0.4887(3) 0.8091(3) 0.7041(2) 0.0320(13) Uani 1 1 d . . . C15A C 0.4335(3) 0.7554(3) 0.7166(2) 0.0276(13) Uani 1 1 d . . . C16A C 0.3351(4) 0.7217(4) 0.8058(3) 0.063(2) Uani 1 1 d . . . H16D H 0.3619 0.6825 0.8282 0.095 Uiso 1 1 calc R . . H16E H 0.3017 0.6995 0.7780 0.095 Uiso 1 1 calc R . . H16F H 0.3031 0.7529 0.8335 0.095 Uiso 1 1 calc R . . C17A C 0.4080(5) 0.8619(4) 0.8563(3) 0.075(3) Uani 1 1 d . . . H17D H 0.4423 0.8362 0.8838 0.113 Uiso 1 1 calc R . . H17E H 0.3536 0.8523 0.8688 0.113 Uiso 1 1 calc R . . H17F H 0.4162 0.9153 0.8568 0.113 Uiso 1 1 calc R . . C18A C 0.5360(4) 0.9230(4) 0.7595(4) 0.083(3) Uani 1 1 d . . . H18D H 0.5845 0.9052 0.7762 0.124 Uiso 1 1 calc R . . H18E H 0.5087 0.9583 0.7866 0.124 Uiso 1 1 calc R . . H18F H 0.5479 0.9474 0.7208 0.124 Uiso 1 1 calc R . . C19A C 0.5489(4) 0.8085(4) 0.6516(3) 0.067(2) Uani 1 1 d . . . H19D H 0.5951 0.7791 0.6622 0.101 Uiso 1 1 calc R . . H19E H 0.5638 0.8593 0.6414 0.101 Uiso 1 1 calc R . . H19F H 0.5268 0.7867 0.6174 0.101 Uiso 1 1 calc R . . C20A C 0.4222(5) 0.6905(3) 0.6765(3) 0.060(2) Uani 1 1 d . . . H20D H 0.4571 0.6490 0.6872 0.090 Uiso 1 1 calc R . . H20E H 0.4344 0.7056 0.6349 0.090 Uiso 1 1 calc R . . H20F H 0.3681 0.6753 0.6816 0.090 Uiso 1 1 calc R . . C21A C 0.1066(3) 0.7687(3) 0.6417(2) 0.0266(12) Uani 1 1 d . . . C22A C 0.0565(3) 0.8334(2) 0.6430(2) 0.0189(11) Uani 1 1 d . . . C23A C 0.0451(3) 0.8560(2) 0.7032(2) 0.0209(11) Uani 1 1 d . . . C24A C 0.0884(3) 0.8062(3) 0.7397(2) 0.0301(13) Uani 1 1 d . . . C25A C 0.1271(3) 0.7517(3) 0.7012(2) 0.0272(12) Uani 1 1 d . . . C26A C 0.1319(3) 0.7229(3) 0.5886(3) 0.0413(15) Uani 1 1 d . . . H26D H 0.0929 0.6859 0.5831 0.062 Uiso 1 1 calc R . . H26E H 0.1822 0.6979 0.5950 0.062 Uiso 1 1 calc R . . H26F H 0.1372 0.7551 0.5530 0.062 Uiso 1 1 calc R . . C27A C 0.0141(3) 0.8663(3) 0.5924(2) 0.0291(12) Uani 1 1 d . . . H27D H -0.0346 0.8406 0.5893 0.044 Uiso 1 1 calc R . . H27E H 0.0467 0.8610 0.5553 0.044 Uiso 1 1 calc R . . H27F H 0.0024 0.9190 0.5994 0.044 Uiso 1 1 calc R . . C28A C -0.0108(3) 0.9179(3) 0.7232(2) 0.0325(13) Uani 1 1 d . . . H28D H -0.0628 0.8983 0.7321 0.049 Uiso 1 1 calc R . . H28E H -0.0130 0.9559 0.6916 0.049 Uiso 1 1 calc R . . H28F H 0.0071 0.9398 0.7591 0.049 Uiso 1 1 calc R . . C29A C 0.0914(4) 0.8085(4) 0.8052(2) 0.0463(17) Uani 1 1 d . . . H29D H 0.0493 0.7794 0.8243 0.069 Uiso 1 1 calc R . . H29E H 0.0852 0.8599 0.8179 0.069 Uiso 1 1 calc R . . H29F H 0.1418 0.7877 0.8166 0.069 Uiso 1 1 calc R . . C30A C 0.1732(4) 0.6853(3) 0.7195(3) 0.0554(19) Uani 1 1 d . . . H30D H 0.1385 0.6440 0.7280 0.083 Uiso 1 1 calc R . . H30E H 0.1998 0.6960 0.7553 0.083 Uiso 1 1 calc R . . H30F H 0.2120 0.6719 0.6874 0.083 Uiso 1 1 calc R . . C31A C 0.2852(3) 1.0768(3) 0.8204(2) 0.0285(13) Uani 1 1 d . . . C32A C 0.2679(3) 1.1341(3) 0.7772(2) 0.0247(12) Uani 1 1 d . . . C33A C 0.1887(3) 1.1316(3) 0.7665(2) 0.0233(11) Uani 1 1 d . . . C34A C 0.1548(3) 1.0732(3) 0.8027(2) 0.0271(12) Uani 1 1 d . . . C35A C 0.2148(3) 1.0400(3) 0.8365(2) 0.0320(13) Uani 1 1 d . . . C36A C 0.3640(3) 1.0642(3) 0.8459(3) 0.0411(15) Uani 1 1 d . . . H36D H 0.3667 1.0946 0.8810 0.062 Uiso 1 1 calc R . . H36E H 0.4052 1.0779 0.8159 0.062 Uiso 1 1 calc R . . H36F H 0.3710 1.0118 0.8572 0.062 Uiso 1 1 calc R . . C37A C 0.3259(3) 1.1895(3) 0.7536(2) 0.0342(14) Uani 1 1 d . . . H37D H 0.3228 1.2327 0.7793 0.051 Uiso 1 1 calc R . . H37E H 0.3143 1.2052 0.7132 0.051 Uiso 1 1 calc R . . H37F H 0.3785 1.1669 0.7531 0.051 Uiso 1 1 calc R . . C38A C 0.1428(3) 1.1838(3) 0.7275(3) 0.0385(15) Uani 1 1 d . . . H38D H 0.1247 1.2274 0.7501 0.058 Uiso 1 1 calc R . . H38E H 0.0977 1.1584 0.7143 0.058 Uiso 1 1 calc R . . H38F H 0.1761 1.1993 0.6927 0.058 Uiso 1 1 calc R . . C39A C 0.0699(3) 1.0586(3) 0.8104(3) 0.0399(15) Uani 1 1 d . . . H39D H 0.0454 1.0903 0.8415 0.060 Uiso 1 1 calc R . . H39E H 0.0628 1.0065 0.8219 0.060 Uiso 1 1 calc R . . H39F H 0.0458 1.0695 0.7728 0.060 Uiso 1 1 calc R . . C40A C 0.2038(4) 0.9790(3) 0.8838(3) 0.0452(16) Uani 1 1 d . . . H40D H 0.1911 1.0012 0.9226 0.068 Uiso 1 1 calc R . . H40E H 0.2521 0.9487 0.8853 0.068 Uiso 1 1 calc R . . H40F H 0.1613 0.9477 0.8739 0.068 Uiso 1 1 calc R . . C41A C 0.2157(3) 0.9917(2) 0.2703(2) 0.0188(11) Uani 1 1 d . . . C42A C 0.1651(3) 0.9492(3) 0.2393(2) 0.0238(12) Uani 1 1 d . . . H42B H 0.1428 0.9068 0.2584 0.029 Uiso 1 1 calc R . . C43A C 0.1469(3) 0.9679(3) 0.1814(2) 0.0281(12) Uani 1 1 d . . . H43B H 0.1129 0.9378 0.1616 0.034 Uiso 1 1 calc R . . C44A C 0.1771(3) 1.0288(3) 0.1526(2) 0.0296(13) Uani 1 1 d . . . H44B H 0.1640 1.0414 0.1132 0.035 Uiso 1 1 calc R . . C45A C 0.2275(3) 1.0723(3) 0.1818(2) 0.0290(13) Uani 1 1 d . . . H45B H 0.2490 1.1150 0.1625 0.035 Uiso 1 1 calc R . . C46A C 0.2457(3) 1.0528(3) 0.2388(2) 0.0244(12) Uani 1 1 d . . . H46B H 0.2807 1.0827 0.2577 0.029 Uiso 1 1 calc R . . C47A C 0.3215(3) 0.9128(2) 0.3300(2) 0.0190(11) Uani 1 1 d . . . C48A C 0.3737(3) 0.9143(3) 0.2788(2) 0.0221(11) Uani 1 1 d . . . H48B H 0.3619 0.9467 0.2466 0.026 Uiso 1 1 calc R . . C49A C 0.4415(3) 0.8704(3) 0.2737(2) 0.0255(12) Uani 1 1 d . . . H49B H 0.4744 0.8726 0.2381 0.031 Uiso 1 1 calc R . . C50A C 0.4616(3) 0.8232(3) 0.3202(2) 0.0264(12) Uani 1 1 d . . . H50B H 0.5081 0.7933 0.3169 0.032 Uiso 1 1 calc R . . C51A C 0.4124(3) 0.8206(3) 0.3712(2) 0.0245(12) Uani 1 1 d . . . H51B H 0.4255 0.7888 0.4035 0.029 Uiso 1 1 calc R . . C52A C 0.3445(3) 0.8637(3) 0.3760(2) 0.0237(11) Uani 1 1 d . . . H52B H 0.3119 0.8603 0.4116 0.028 Uiso 1 1 calc R . . C53A C 0.2601(3) 1.0392(3) 0.3763(2) 0.0190(11) Uani 1 1 d . . . C54A C 0.3173(3) 1.0393(3) 0.4171(2) 0.0186(11) Uani 1 1 d . . . H54B H 0.3498 0.9962 0.4211 0.022 Uiso 1 1 calc R . . C55A C 0.3290(3) 1.0991(3) 0.4522(2) 0.0214(11) Uani 1 1 d . . . H55B H 0.3687 1.0963 0.4796 0.026 Uiso 1 1 calc R . . C56A C 0.2833(3) 1.1626(3) 0.4476(2) 0.0251(12) Uani 1 1 d . . . H56B H 0.2912 1.2036 0.4719 0.030 Uiso 1 1 calc R . . C57A C 0.2258(3) 1.1666(3) 0.4076(2) 0.0245(12) Uani 1 1 d . . . H57B H 0.1941 1.2103 0.4038 0.029 Uiso 1 1 calc R . . C58A C 0.2150(3) 1.1055(2) 0.3728(2) 0.0220(11) Uani 1 1 d . . . H58B H 0.1753 1.1088 0.3454 0.026 Uiso 1 1 calc R . . C59A C 0.1697(3) 0.9218(3) 0.3719(2) 0.0210(11) Uani 1 1 d . . . C60A C 0.1088(3) 0.9579(3) 0.4057(2) 0.0209(11) Uani 1 1 d . . . H60B H 0.1116 1.0098 0.4109 0.025 Uiso 1 1 calc R . . C61A C 0.0452(3) 0.9223(3) 0.4317(2) 0.0235(11) Uani 1 1 d . . . H61B H 0.0056 0.9494 0.4541 0.028 Uiso 1 1 calc R . . C62A C 0.0393(3) 0.8454(3) 0.4249(2) 0.0305(13) Uani 1 1 d . . . H62B H -0.0043 0.8200 0.4423 0.037 Uiso 1 1 calc R . . C63A C 0.0977(3) 0.8078(3) 0.3925(2) 0.0289(13) Uani 1 1 d . . . H63B H 0.0945 0.7559 0.3878 0.035 Uiso 1 1 calc R . . C64A C 0.1620(3) 0.8447(3) 0.3664(2) 0.0272(12) Uani 1 1 d . . . H64B H 0.2016 0.8172 0.3444 0.033 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0148(2) 0.01421(19) 0.0147(2) 0.00065(15) -0.00205(16) -0.00302(15) Ga1 0.0173(3) 0.0249(3) 0.0183(3) 0.0048(2) -0.0038(2) -0.0005(2) Ga2 0.0242(3) 0.0186(3) 0.0211(3) -0.0041(2) 0.0008(2) -0.0038(2) Ga3 0.0188(3) 0.0194(3) 0.0216(3) 0.0017(2) -0.0027(2) -0.0076(2) B1 0.021(3) 0.019(3) 0.026(3) -0.001(2) 0.003(3) -0.001(2) C1 0.021(3) 0.024(3) 0.014(2) 0.005(2) -0.003(2) -0.001(2) C2 0.026(3) 0.014(2) 0.016(2) -0.0020(19) 0.001(2) -0.003(2) C3 0.028(3) 0.026(3) 0.012(2) 0.004(2) -0.001(2) -0.002(2) C4 0.027(3) 0.018(2) 0.012(2) 0.0042(19) 0.002(2) 0.002(2) C5 0.029(3) 0.019(3) 0.014(2) -0.001(2) -0.003(2) -0.011(2) C6 0.021(3) 0.043(3) 0.023(3) 0.011(2) 0.001(2) -0.004(2) C7 0.029(3) 0.025(3) 0.020(3) -0.003(2) -0.008(2) 0.000(2) C8 0.024(3) 0.037(3) 0.020(3) 0.002(2) -0.001(2) 0.004(2) C9 0.053(4) 0.024(3) 0.026(3) 0.000(2) 0.007(3) 0.003(3) C10 0.037(4) 0.037(3) 0.023(3) 0.003(2) 0.000(2) -0.020(3) C11 0.024(3) 0.023(3) 0.020(3) 0.002(2) -0.006(2) 0.003(2) C12 0.020(3) 0.015(2) 0.026(3) 0.007(2) -0.009(2) -0.003(2) C13 0.023(3) 0.029(3) 0.023(3) 0.002(2) -0.008(2) 0.002(2) C14 0.019(3) 0.032(3) 0.019(3) 0.012(2) 0.002(2) 0.007(2) C15 0.019(3) 0.017(2) 0.027(3) 0.013(2) -0.004(2) -0.004(2) C16 0.029(3) 0.029(3) 0.030(3) -0.001(2) -0.010(2) 0.008(2) C17 0.019(3) 0.043(3) 0.044(3) 0.015(3) -0.006(3) -0.007(3) C18 0.058(4) 0.033(3) 0.046(4) -0.018(3) -0.036(3) 0.009(3) C19 0.046(4) 0.054(4) 0.031(3) 0.014(3) 0.002(3) 0.013(3) C20 0.025(3) 0.027(3) 0.059(4) 0.006(3) -0.015(3) -0.012(2) C21 0.026(3) 0.027(3) 0.024(3) -0.013(2) -0.003(2) -0.006(2) C22 0.028(3) 0.031(3) 0.032(3) -0.021(3) -0.001(2) -0.005(2) C23 0.024(3) 0.020(3) 0.038(3) -0.012(2) 0.007(2) -0.007(2) C24 0.032(3) 0.017(3) 0.024(3) -0.008(2) 0.004(2) -0.001(2) C25 0.022(3) 0.022(3) 0.026(3) -0.010(2) 0.002(2) 0.001(2) C26 0.026(3) 0.049(3) 0.022(3) 0.008(2) -0.007(2) 0.000(3) C27 0.023(3) 0.043(4) 0.066(4) -0.029(3) -0.010(3) -0.002(3) C28 0.035(4) 0.031(3) 0.054(4) -0.012(3) 0.013(3) -0.017(3) C29 0.039(4) 0.026(3) 0.045(3) -0.003(3) 0.001(3) 0.002(3) C30 0.023(3) 0.030(3) 0.039(3) -0.009(2) 0.003(2) -0.003(2) C31 0.012(3) 0.027(3) 0.022(3) 0.005(2) -0.003(2) -0.008(2) C32 0.013(3) 0.025(3) 0.023(3) 0.006(2) -0.006(2) -0.006(2) C33 0.020(3) 0.025(3) 0.024(3) 0.000(2) -0.005(2) -0.007(2) C34 0.011(3) 0.020(3) 0.037(3) -0.003(2) 0.000(2) -0.007(2) C35 0.020(3) 0.018(3) 0.029(3) 0.007(2) -0.006(2) -0.008(2) C36 0.030(3) 0.049(4) 0.028(3) -0.001(3) -0.006(3) -0.018(3) C37 0.030(3) 0.026(3) 0.045(3) -0.002(3) -0.015(3) 0.002(2) C38 0.039(4) 0.042(3) 0.028(3) 0.005(3) -0.007(3) -0.018(3) C39 0.030(3) 0.024(3) 0.050(4) -0.011(3) -0.005(3) -0.002(2) C40 0.027(3) 0.034(3) 0.050(4) 0.015(3) -0.010(3) -0.010(3) C41 0.026(3) 0.016(2) 0.018(3) 0.000(2) 0.001(2) -0.009(2) C42 0.030(3) 0.025(3) 0.016(3) 0.005(2) 0.001(2) -0.006(2) C43 0.034(3) 0.026(3) 0.020(3) 0.000(2) -0.003(2) -0.013(2) C44 0.041(4) 0.026(3) 0.016(3) -0.002(2) 0.000(2) -0.015(3) C45 0.034(3) 0.016(3) 0.030(3) 0.000(2) 0.006(2) -0.003(2) C46 0.020(3) 0.023(3) 0.032(3) -0.004(2) -0.004(2) -0.005(2) C47 0.010(3) 0.023(3) 0.027(3) -0.005(2) -0.001(2) 0.000(2) C48 0.028(3) 0.022(3) 0.033(3) -0.003(2) -0.004(2) -0.008(2) C49 0.032(3) 0.028(3) 0.030(3) 0.005(2) 0.002(3) -0.001(2) C50 0.035(3) 0.035(3) 0.027(3) -0.006(2) 0.000(3) 0.000(3) C51 0.021(3) 0.038(3) 0.026(3) -0.008(2) -0.004(2) -0.007(2) C52 0.018(3) 0.026(3) 0.030(3) -0.004(2) 0.000(2) -0.004(2) C53 0.026(3) 0.018(3) 0.025(3) -0.007(2) 0.003(2) -0.008(2) C54 0.033(3) 0.026(3) 0.030(3) -0.002(2) 0.001(2) -0.001(2) C55 0.032(3) 0.031(3) 0.041(3) 0.001(3) -0.009(3) -0.004(3) C56 0.025(3) 0.023(3) 0.049(4) -0.007(3) -0.010(3) -0.004(2) C57 0.021(3) 0.032(3) 0.037(3) -0.008(3) 0.000(2) -0.007(2) C58 0.024(3) 0.021(3) 0.029(3) -0.003(2) 0.001(2) -0.006(2) C59 0.024(3) 0.025(3) 0.016(2) 0.001(2) -0.007(2) -0.006(2) C60 0.031(3) 0.030(3) 0.030(3) -0.010(2) 0.010(2) -0.012(3) C61 0.053(4) 0.037(3) 0.040(4) -0.012(3) 0.007(3) -0.016(3) C62 0.030(3) 0.042(3) 0.028(3) -0.001(3) 0.000(3) -0.017(3) C63 0.027(3) 0.040(3) 0.019(3) 0.005(2) 0.001(2) 0.003(3) C64 0.026(3) 0.018(2) 0.021(3) -0.003(2) -0.010(2) -0.001(2) Ru1A 0.0141(2) 0.01341(19) 0.0160(2) 0.00149(15) -0.00165(16) -0.00237(15) Ga1A 0.0175(3) 0.0235(3) 0.0204(3) 0.0069(2) -0.0026(2) -0.0007(2) Ga2A 0.0178(3) 0.0199(3) 0.0230(3) 0.0007(2) -0.0015(2) -0.0075(2) Ga3A 0.0273(3) 0.0189(3) 0.0232(3) -0.0043(2) 0.0036(2) -0.0056(2) B1A 0.017(3) 0.016(3) 0.021(3) -0.001(2) -0.001(2) -0.001(2) C1A 0.035(3) 0.019(3) 0.015(2) 0.003(2) 0.001(2) -0.005(2) C2A 0.023(3) 0.025(3) 0.020(3) 0.008(2) -0.001(2) 0.006(2) C3A 0.024(3) 0.030(3) 0.014(2) 0.008(2) -0.002(2) -0.006(2) C4A 0.025(3) 0.017(2) 0.017(2) 0.008(2) 0.002(2) 0.001(2) C5A 0.019(3) 0.025(3) 0.014(2) 0.005(2) 0.000(2) -0.009(2) C6A 0.087(5) 0.015(3) 0.029(3) 0.003(2) 0.011(3) -0.005(3) C7A 0.040(4) 0.048(4) 0.033(3) 0.016(3) -0.003(3) 0.014(3) C8A 0.032(3) 0.050(4) 0.022(3) -0.003(3) -0.005(2) -0.016(3) C9A 0.028(3) 0.030(3) 0.023(3) 0.003(2) 0.000(2) 0.004(2) C10A 0.027(3) 0.045(3) 0.033(3) 0.008(3) -0.006(3) -0.022(3) C11A 0.016(3) 0.029(3) 0.033(3) 0.017(2) -0.009(2) -0.004(2) C12A 0.037(4) 0.040(3) 0.020(3) -0.001(2) -0.014(3) 0.014(3) C13A 0.021(3) 0.019(3) 0.068(4) 0.014(3) -0.024(3) -0.008(2) C14A 0.025(3) 0.035(3) 0.034(3) 0.017(3) 0.003(2) 0.009(3) C15A 0.035(3) 0.026(3) 0.024(3) 0.003(2) -0.020(3) 0.005(2) C16A 0.034(4) 0.085(5) 0.069(5) 0.059(4) -0.010(3) -0.010(4) C17A 0.111(7) 0.083(5) 0.031(4) -0.021(4) -0.031(4) 0.061(5) C18A 0.045(5) 0.035(4) 0.175(9) 0.014(5) -0.064(5) -0.014(3) C19A 0.045(4) 0.092(5) 0.057(4) 0.046(4) 0.021(3) 0.037(4) C20A 0.093(6) 0.041(4) 0.050(4) -0.013(3) -0.044(4) 0.018(4) C21A 0.019(3) 0.018(3) 0.044(3) -0.003(2) 0.000(2) -0.008(2) C22A 0.013(3) 0.016(2) 0.028(3) -0.002(2) -0.001(2) -0.009(2) C23A 0.015(3) 0.014(2) 0.033(3) -0.001(2) 0.006(2) -0.007(2) C24A 0.020(3) 0.035(3) 0.036(3) 0.016(3) -0.004(2) -0.018(2) C25A 0.011(3) 0.018(3) 0.052(4) 0.007(2) -0.004(2) -0.004(2) C26A 0.033(4) 0.029(3) 0.063(4) -0.013(3) -0.003(3) -0.008(3) C27A 0.025(3) 0.035(3) 0.028(3) 0.002(2) -0.004(2) -0.003(2) C28A 0.029(3) 0.027(3) 0.041(3) -0.012(3) 0.008(3) -0.003(2) C29A 0.038(4) 0.067(4) 0.036(3) 0.018(3) -0.007(3) -0.032(3) C30A 0.029(4) 0.031(3) 0.107(6) 0.024(4) -0.019(4) -0.009(3) C31A 0.026(3) 0.028(3) 0.031(3) -0.018(2) 0.006(2) -0.002(2) C32A 0.026(3) 0.021(3) 0.027(3) -0.011(2) 0.006(2) -0.009(2) C33A 0.023(3) 0.020(3) 0.027(3) -0.009(2) 0.005(2) -0.006(2) C34A 0.025(3) 0.029(3) 0.027(3) -0.018(2) 0.009(2) -0.013(2) C35A 0.039(4) 0.032(3) 0.025(3) -0.017(2) 0.006(3) -0.015(3) C36A 0.043(4) 0.048(4) 0.033(3) -0.011(3) -0.004(3) 0.000(3) C37A 0.032(3) 0.031(3) 0.039(3) -0.009(3) 0.008(3) -0.015(3) C38A 0.035(4) 0.029(3) 0.053(4) -0.015(3) -0.006(3) 0.002(3) C39A 0.034(4) 0.036(3) 0.050(4) -0.017(3) 0.011(3) -0.015(3) C40A 0.063(5) 0.038(3) 0.034(3) -0.001(3) 0.010(3) -0.010(3) C41A 0.019(3) 0.018(2) 0.019(3) 0.000(2) 0.002(2) 0.000(2) C42A 0.021(3) 0.023(3) 0.027(3) 0.005(2) 0.004(2) -0.002(2) C43A 0.030(3) 0.038(3) 0.018(3) -0.004(2) -0.009(2) -0.002(3) C44A 0.038(3) 0.034(3) 0.016(3) 0.003(2) -0.006(2) 0.008(3) C45A 0.033(3) 0.024(3) 0.030(3) 0.007(2) -0.003(3) -0.003(2) C46A 0.022(3) 0.027(3) 0.025(3) 0.002(2) -0.003(2) -0.002(2) C47A 0.021(3) 0.016(2) 0.021(3) -0.001(2) -0.010(2) -0.005(2) C48A 0.020(3) 0.019(3) 0.029(3) 0.001(2) -0.007(2) -0.008(2) C49A 0.016(3) 0.027(3) 0.033(3) 0.000(2) 0.006(2) -0.010(2) C50A 0.021(3) 0.020(3) 0.039(3) -0.007(2) -0.008(2) 0.000(2) C51A 0.026(3) 0.018(3) 0.029(3) 0.003(2) -0.004(2) 0.000(2) C52A 0.023(3) 0.026(3) 0.022(3) -0.002(2) 0.000(2) -0.001(2) C53A 0.020(3) 0.020(3) 0.018(2) 0.001(2) 0.003(2) -0.007(2) C54A 0.018(3) 0.019(2) 0.020(3) 0.004(2) -0.002(2) -0.003(2) C55A 0.021(3) 0.029(3) 0.015(2) 0.001(2) -0.002(2) -0.007(2) C56A 0.035(3) 0.018(3) 0.023(3) -0.005(2) 0.000(2) -0.013(2) C57A 0.027(3) 0.019(3) 0.027(3) 0.004(2) -0.001(2) -0.001(2) C58A 0.023(3) 0.019(3) 0.025(3) 0.000(2) -0.003(2) -0.001(2) C59A 0.025(3) 0.023(3) 0.017(3) 0.002(2) -0.007(2) -0.006(2) C60A 0.024(3) 0.016(2) 0.024(3) 0.002(2) -0.009(2) -0.003(2) C61A 0.018(3) 0.028(3) 0.025(3) 0.001(2) -0.002(2) 0.001(2) C62A 0.032(3) 0.036(3) 0.023(3) 0.008(2) 0.002(2) -0.015(3) C63A 0.042(4) 0.019(3) 0.026(3) -0.008(2) 0.004(3) -0.012(2) C64A 0.033(3) 0.028(3) 0.020(3) -0.003(2) 0.004(2) -0.006(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C4 2.204(4) . ? Ru1 C5 2.210(5) . ? Ru1 C3 2.210(5) . ? Ru1 C2 2.212(4) . ? Ru1 C1 2.226(5) . ? Ru1 Ga1 2.3767(9) . ? Ru1 Ga2 2.3914(8) . ? Ru1 Ga3 2.3919(8) . ? Ga1 C13 2.236(5) . ? Ga1 C14 2.262(5) . ? Ga1 C12 2.307(5) . ? Ga1 C15 2.317(4) . ? Ga1 C11 2.351(5) . ? Ga2 C21 2.270(5) . ? Ga2 C22 2.288(5) . ? Ga2 C25 2.313(5) . ? Ga2 C23 2.336(5) . ? Ga2 C24 2.348(5) . ? Ga3 C32 2.291(5) . ? Ga3 C33 2.294(5) . ? Ga3 C31 2.302(5) . ? Ga3 C34 2.307(5) . ? Ga3 C35 2.325(5) . ? B1 C47 1.650(7) . ? B1 C59 1.652(7) . ? B1 C41 1.657(7) . ? B1 C53 1.659(7) . ? C1 C2 1.409(6) . ? C1 C5 1.435(6) . ? C1 C6 1.501(7) . ? C2 C3 1.442(7) . ? C2 C7 1.500(6) . ? C3 C4 1.431(7) . ? C3 C8 1.486(7) . ? C4 C5 1.426(7) . ? C4 C9 1.501(7) . ? C5 C10 1.502(6) . ? C11 C12 1.412(6) . ? C11 C15 1.418(7) . ? C11 C16 1.514(7) . ? C12 C13 1.418(7) . ? C12 C17 1.503(7) . ? C13 C14 1.421(7) . ? C13 C18 1.515(7) . ? C14 C15 1.416(7) . ? C14 C19 1.495(7) . ? C15 C20 1.531(7) . ? C21 C25 1.431(7) . ? C21 C22 1.442(7) . ? C21 C26 1.492(7) . ? C22 C23 1.431(7) . ? C22 C27 1.491(7) . ? C23 C24 1.421(7) . ? C23 C28 1.492(7) . ? C24 C25 1.433(7) . ? C24 C29 1.496(7) . ? C25 C30 1.489(7) . ? C31 C32 1.406(6) . ? C31 C35 1.443(7) . ? C31 C36 1.526(7) . ? C32 C33 1.407(7) . ? C32 C37 1.508(7) . ? C33 C34 1.424(7) . ? C33 C38 1.519(7) . ? C34 C35 1.416(7) . ? C34 C39 1.508(7) . ? C35 C40 1.495(7) . ? C41 C42 1.395(7) . ? C41 C46 1.400(7) . ? C42 C43 1.409(7) . ? C43 C44 1.376(7) . ? C44 C45 1.380(7) . ? C45 C46 1.393(7) . ? C47 C52 1.401(6) . ? C47 C48 1.403(7) . ? C48 C49 1.393(7) . ? C49 C50 1.389(7) . ? C50 C51 1.371(7) . ? C51 C52 1.388(7) . ? C53 C58 1.409(7) . ? C53 C54 1.411(7) . ? C54 C55 1.374(7) . ? C55 C56 1.370(8) . ? C56 C57 1.386(7) . ? C57 C58 1.396(7) . ? C59 C64 1.389(7) . ? C59 C60 1.406(7) . ? C60 C61 1.407(8) . ? C61 C62 1.382(8) . ? C62 C63 1.385(7) . ? C63 C64 1.393(7) . ? Ru1A C1A 2.199(5) . ? Ru1A C2A 2.209(5) . ? Ru1A C3A 2.211(5) . ? Ru1A C5A 2.216(5) . ? Ru1A C4A 2.217(5) . ? Ru1A Ga1A 2.3835(8) . ? Ru1A Ga2A 2.3860(8) . ? Ru1A Ga3A 2.3937(9) . ? Ga1A C12A 2.264(5) . ? Ga1A C11A 2.282(5) . ? Ga1A C13A 2.289(5) . ? Ga1A C15A 2.313(5) . ? Ga1A C14A 2.329(5) . ? Ga2A C24A 2.266(5) . ? Ga2A C23A 2.276(5) . ? Ga2A C25A 2.299(5) . ? Ga2A C22A 2.320(5) . ? Ga2A C21A 2.339(5) . ? Ga3A C34A 2.275(5) . ? Ga3A C35A 2.292(5) . ? Ga3A C33A 2.311(5) . ? Ga3A C31A 2.316(5) . ? Ga3A C32A 2.338(5) . ? B1A C59A 1.643(7) . ? B1A C47A 1.645(7) . ? B1A C53A 1.654(7) . ? B1A C41A 1.660(7) . ? C1A C2A 1.426(7) . ? C1A C5A 1.429(7) . ? C1A C6A 1.493(7) . ? C2A C3A 1.425(7) . ? C2A C7A 1.503(7) . ? C3A C4A 1.428(7) . ? C3A C8A 1.490(6) . ? C4A C5A 1.439(6) . ? C4A C9A 1.515(7) . ? C5A C10A 1.496(7) . ? C11A C15A 1.383(7) . ? C11A C12A 1.439(7) . ? C11A C16A 1.519(7) . ? C12A C13A 1.416(8) . ? C12A C17A 1.504(8) . ? C13A C14A 1.403(8) . ? C13A C18A 1.511(7) . ? C14A C15A 1.391(7) . ? C14A C19A 1.520(8) . ? C15A C20A 1.522(7) . ? C21A C22A 1.429(7) . ? C21A C25A 1.433(7) . ? C21A C26A 1.504(7) . ? C22A C23A 1.427(7) . ? C22A C27A 1.494(7) . ? C23A C24A 1.428(7) . ? C23A C28A 1.509(7) . ? C24A C25A 1.445(8) . ? C24A C29A 1.482(7) . ? C25A C30A 1.482(7) . ? C31A C35A 1.422(7) . ? C31A C32A 1.442(7) . ? C31A C36A 1.516(8) . ? C32A C33A 1.402(7) . ? C32A C37A 1.501(7) . ? C33A C34A 1.434(7) . ? C33A C38A 1.513(7) . ? C34A C35A 1.431(8) . ? C34A C39A 1.491(7) . ? C35A C40A 1.522(8) . ? C41A C46A 1.393(7) . ? C41A C42A 1.411(6) . ? C42A C43A 1.395(7) . ? C43A C44A 1.364(7) . ? C44A C45A 1.397(7) . ? C45A C46A 1.379(7) . ? C47A C48A 1.415(7) . ? C47A C52A 1.415(6) . ? C48A C49A 1.389(7) . ? C49A C50A 1.389(7) . ? C50A C51A 1.383(7) . ? C51A C52A 1.382(7) . ? C53A C54A 1.392(6) . ? C53A C58A 1.410(6) . ? C54A C55A 1.384(6) . ? C55A C56A 1.374(7) . ? C56A C57A 1.383(7) . ? C57A C58A 1.394(6) . ? C59A C60A 1.405(7) . ? C59A C64A 1.412(7) . ? C60A C61A 1.378(7) . ? C61A C62A 1.410(7) . ? C62A C63A 1.372(7) . ? C63A C64A 1.400(7) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C4 Ru1 C5 37.71(18) . . ? C4 Ru1 C3 37.84(17) . . ? C5 Ru1 C3 63.07(18) . . ? C4 Ru1 C2 63.44(17) . . ? C5 Ru1 C2 63.08(16) . . ? C3 Ru1 C2 38.07(17) . . ? C4 Ru1 C1 62.82(17) . . ? C5 Ru1 C1 37.74(17) . . ? C3 Ru1 C1 62.53(18) . . ? C2 Ru1 C1 37.01(17) . . ? C4 Ru1 Ga1 142.98(13) . . ? C5 Ru1 Ga1 105.77(13) . . ? C3 Ru1 Ga1 149.99(13) . . ? C2 Ru1 Ga1 112.01(13) . . ? C1 Ru1 Ga1 91.26(12) . . ? C4 Ru1 Ga2 91.75(12) . . ? C5 Ru1 Ga2 102.94(12) . . ? C3 Ru1 Ga2 116.59(13) . . ? C2 Ru1 Ga2 153.85(12) . . ? C1 Ru1 Ga2 139.39(12) . . ? Ga1 Ru1 Ga2 92.63(3) . . ? C4 Ru1 Ga3 126.70(13) . . ? C5 Ru1 Ga3 158.75(12) . . ? C3 Ru1 Ga3 96.17(13) . . ? C2 Ru1 Ga3 98.13(12) . . ? C1 Ru1 Ga3 130.27(12) . . ? Ga1 Ru1 Ga3 90.04(3) . . ? Ga2 Ru1 Ga3 90.14(3) . . ? C13 Ga1 C14 36.83(18) . . ? C13 Ga1 C12 36.34(17) . . ? C14 Ga1 C12 60.77(17) . . ? C13 Ga1 C15 59.94(18) . . ? C14 Ga1 C15 36.00(17) . . ? C12 Ga1 C15 59.34(16) . . ? C13 Ga1 C11 59.62(17) . . ? C14 Ga1 C11 59.93(17) . . ? C12 Ga1 C11 35.29(16) . . ? C15 Ga1 C11 35.36(17) . . ? C13 Ga1 Ru1 158.66(13) . . ? C14 Ga1 Ru1 154.71(13) . . ? C12 Ga1 Ru1 144.50(12) . . ? C15 Ga1 Ru1 141.28(12) . . ? C11 Ga1 Ru1 136.49(12) . . ? C21 Ga2 C22 36.87(18) . . ? C21 Ga2 C25 36.36(18) . . ? C22 Ga2 C25 60.72(18) . . ? C21 Ga2 C23 60.39(18) . . ? C22 Ga2 C23 36.03(19) . . ? C25 Ga2 C23 59.82(17) . . ? C21 Ga2 C24 59.98(18) . . ? C22 Ga2 C24 59.75(19) . . ? C25 Ga2 C24 35.81(17) . . ? C23 Ga2 C24 35.31(17) . . ? C21 Ga2 Ru1 155.20(13) . . ? C22 Ga2 Ru1 143.02(14) . . ? C25 Ga2 Ru1 156.06(12) . . ? C23 Ga2 Ru1 138.15(13) . . ? C24 Ga2 Ru1 144.66(12) . . ? C32 Ga3 C33 35.74(17) . . ? C32 Ga3 C31 35.64(16) . . ? C33 Ga3 C31 59.63(17) . . ? C32 Ga3 C34 59.87(17) . . ? C33 Ga3 C34 36.06(17) . . ? C31 Ga3 C34 59.98(17) . . ? C32 Ga3 C35 59.82(17) . . ? C33 Ga3 C35 59.63(17) . . ? C31 Ga3 C35 36.35(17) . . ? C34 Ga3 C35 35.60(17) . . ? C32 Ga3 Ru1 140.66(12) . . ? C33 Ga3 Ru1 140.53(12) . . ? C31 Ga3 Ru1 150.09(12) . . ? C34 Ga3 Ru1 149.87(13) . . ? C35 Ga3 Ru1 157.71(12) . . ? C47 B1 C59 108.2(4) . . ? C47 B1 C41 110.7(4) . . ? C59 B1 C41 110.9(4) . . ? C47 B1 C53 107.7(4) . . ? C59 B1 C53 109.7(4) . . ? C41 B1 C53 109.6(4) . . ? C2 C1 C5 108.9(4) . . ? C2 C1 C6 125.3(4) . . ? C5 C1 C6 125.1(4) . . ? C2 C1 Ru1 70.9(3) . . ? C5 C1 Ru1 70.5(3) . . ? C6 C1 Ru1 132.0(3) . . ? C1 C2 C3 107.7(4) . . ? C1 C2 C7 125.1(4) . . ? C3 C2 C7 126.6(4) . . ? C1 C2 Ru1 72.0(3) . . ? C3 C2 Ru1 70.9(3) . . ? C7 C2 Ru1 129.1(3) . . ? C4 C3 C2 107.8(4) . . ? C4 C3 C8 124.0(4) . . ? C2 C3 C8 127.6(4) . . ? C4 C3 Ru1 70.9(3) . . ? C2 C3 Ru1 71.0(3) . . ? C8 C3 Ru1 130.5(3) . . ? C5 C4 C3 108.0(4) . . ? C5 C4 C9 126.8(5) . . ? C3 C4 C9 124.5(5) . . ? C5 C4 Ru1 71.3(3) . . ? C3 C4 Ru1 71.3(3) . . ? C9 C4 Ru1 130.7(3) . . ? C4 C5 C1 107.6(4) . . ? C4 C5 C10 126.1(4) . . ? C1 C5 C10 125.7(5) . . ? C4 C5 Ru1 70.9(3) . . ? C1 C5 Ru1 71.8(3) . . ? C10 C5 Ru1 129.6(3) . . ? C12 C11 C15 107.9(4) . . ? C12 C11 C16 127.6(5) . . ? C15 C11 C16 124.2(4) . . ? C12 C11 Ga1 70.6(3) . . ? C15 C11 Ga1 71.0(3) . . ? C16 C11 Ga1 128.6(3) . . ? C11 C12 C13 107.5(4) . . ? C11 C12 C17 127.0(5) . . ? C13 C12 C17 125.3(5) . . ? C11 C12 Ga1 74.1(3) . . ? C13 C12 Ga1 69.1(3) . . ? C17 C12 Ga1 126.0(3) . . ? C12 C13 C14 109.0(4) . . ? C12 C13 C18 124.8(5) . . ? C14 C13 C18 125.7(5) . . ? C12 C13 Ga1 74.5(3) . . ? C14 C13 Ga1 72.6(3) . . ? C18 C13 Ga1 125.1(3) . . ? C15 C14 C13 106.7(4) . . ? C15 C14 C19 127.2(5) . . ? C13 C14 C19 126.0(5) . . ? C15 C14 Ga1 74.1(3) . . ? C13 C14 Ga1 70.6(3) . . ? C19 C14 Ga1 123.3(3) . . ? C14 C15 C11 108.9(4) . . ? C14 C15 C20 127.1(5) . . ? C11 C15 C20 124.0(5) . . ? C14 C15 Ga1 69.9(3) . . ? C11 C15 Ga1 73.6(3) . . ? C20 C15 Ga1 124.5(3) . . ? C25 C21 C22 108.1(5) . . ? C25 C21 C26 125.5(5) . . ? C22 C21 C26 126.2(5) . . ? C25 C21 Ga2 73.4(3) . . ? C22 C21 Ga2 72.2(3) . . ? C26 C21 Ga2 124.6(3) . . ? C23 C22 C21 107.6(5) . . ? C23 C22 C27 126.3(5) . . ? C21 C22 C27 126.1(5) . . ? C23 C22 Ga2 73.8(3) . . ? C21 C22 Ga2 70.9(3) . . ? C27 C22 Ga2 122.6(4) . . ? C24 C23 C22 108.2(4) . . ? C24 C23 C28 127.4(5) . . ? C22 C23 C28 124.3(5) . . ? C24 C23 Ga2 72.8(3) . . ? C22 C23 Ga2 70.2(3) . . ? C28 C23 Ga2 126.1(3) . . ? C23 C24 C25 108.6(5) . . ? C23 C24 C29 127.2(5) . . ? C25 C24 C29 123.7(5) . . ? C23 C24 Ga2 71.9(3) . . ? C25 C24 Ga2 70.7(3) . . ? C29 C24 Ga2 129.4(3) . . ? C21 C25 C24 107.5(4) . . ? C21 C25 C30 127.4(5) . . ? C24 C25 C30 124.4(5) . . ? C21 C25 Ga2 70.2(3) . . ? C24 C25 Ga2 73.4(3) . . ? C30 C25 Ga2 129.2(3) . . ? C32 C31 C35 107.8(4) . . ? C32 C31 C36 127.2(5) . . ? C35 C31 C36 124.9(4) . . ? C32 C31 Ga3 71.8(3) . . ? C35 C31 Ga3 72.7(3) . . ? C36 C31 Ga3 125.0(3) . . ? C31 C32 C33 108.6(4) . . ? C31 C32 C37 123.1(4) . . ? C33 C32 C37 128.3(4) . . ? C31 C32 Ga3 72.6(3) . . ? C33 C32 Ga3 72.2(3) . . ? C37 C32 Ga3 120.9(3) . . ? C32 C33 C34 108.3(4) . . ? C32 C33 C38 126.4(5) . . ? C34 C33 C38 124.8(4) . . ? C32 C33 Ga3 72.0(3) . . ? C34 C33 Ga3 72.5(3) . . ? C38 C33 Ga3 127.5(4) . . ? C35 C34 C33 107.9(4) . . ? C35 C34 C39 125.3(5) . . ? C33 C34 C39 126.7(5) . . ? C35 C34 Ga3 72.9(3) . . ? C33 C34 Ga3 71.5(3) . . ? C39 C34 Ga3 123.2(3) . . ? C34 C35 C31 107.3(4) . . ? C34 C35 C40 127.8(5) . . ? C31 C35 C40 124.2(5) . . ? C34 C35 Ga3 71.5(3) . . ? C31 C35 Ga3 71.0(3) . . ? C40 C35 Ga3 129.8(3) . . ? C42 C41 C46 116.0(4) . . ? C42 C41 B1 122.9(4) . . ? C46 C41 B1 121.1(4) . . ? C41 C42 C43 121.5(5) . . ? C44 C43 C42 120.7(5) . . ? C43 C44 C45 119.1(5) . . ? C44 C45 C46 119.9(5) . . ? C45 C46 C41 122.8(5) . . ? C52 C47 C48 114.4(4) . . ? C52 C47 B1 123.8(4) . . ? C48 C47 B1 121.8(4) . . ? C49 C48 C47 123.2(5) . . ? C50 C49 C48 120.0(5) . . ? C51 C50 C49 118.4(5) . . ? C50 C51 C52 121.0(5) . . ? C51 C52 C47 122.9(5) . . ? C58 C53 C54 115.0(5) . . ? C58 C53 B1 123.3(4) . . ? C54 C53 B1 121.7(4) . . ? C55 C54 C53 122.3(5) . . ? C56 C55 C54 121.6(5) . . ? C55 C56 C57 118.6(5) . . ? C56 C57 C58 120.2(5) . . ? C57 C58 C53 122.3(5) . . ? C64 C59 C60 115.5(5) . . ? C64 C59 B1 124.0(4) . . ? C60 C59 B1 120.4(4) . . ? C59 C60 C61 121.8(5) . . ? C62 C61 C60 120.4(5) . . ? C61 C62 C63 119.0(5) . . ? C62 C63 C64 119.8(5) . . ? C59 C64 C63 123.4(5) . . ? C1A Ru1A C2A 37.74(18) . . ? C1A Ru1A C3A 63.10(18) . . ? C2A Ru1A C3A 37.62(18) . . ? C1A Ru1A C5A 37.76(18) . . ? C2A Ru1A C5A 63.16(18) . . ? C3A Ru1A C5A 63.27(18) . . ? C1A Ru1A C4A 63.02(17) . . ? C2A Ru1A C4A 62.85(17) . . ? C3A Ru1A C4A 37.61(18) . . ? C5A Ru1A C4A 37.89(17) . . ? C1A Ru1A Ga1A 128.11(14) . . ? C2A Ru1A Ga1A 157.91(13) . . ? C3A Ru1A Ga1A 127.73(13) . . ? C5A Ru1A Ga1A 96.22(13) . . ? C4A Ru1A Ga1A 96.27(12) . . ? C1A Ru1A Ga2A 139.46(14) . . ? C2A Ru1A Ga2A 102.95(14) . . ? C3A Ru1A Ga2A 91.15(13) . . ? C5A Ru1A Ga2A 152.72(12) . . ? C4A Ru1A Ga2A 115.46(13) . . ? Ga1A Ru1A Ga2A 92.29(3) . . ? C1A Ru1A Ga3A 91.53(12) . . ? C2A Ru1A Ga3A 104.24(13) . . ? C3A Ru1A Ga3A 140.80(13) . . ? C5A Ru1A Ga3A 114.93(12) . . ? C4A Ru1A Ga3A 152.36(12) . . ? Ga1A Ru1A Ga3A 91.30(3) . . ? Ga2A Ru1A Ga3A 90.66(3) . . ? C12A Ga1A C11A 36.89(18) . . ? C12A Ga1A C13A 36.2(2) . . ? C11A Ga1A C13A 60.04(18) . . ? C12A Ga1A C15A 59.73(18) . . ? C11A Ga1A C15A 35.02(18) . . ? C13A Ga1A C15A 58.91(18) . . ? C12A Ga1A C14A 59.62(19) . . ? C11A Ga1A C14A 58.78(18) . . ? C13A Ga1A C14A 35.4(2) . . ? C15A Ga1A C14A 34.88(19) . . ? C12A Ga1A Ru1A 154.83(14) . . ? C11A Ga1A Ru1A 154.32(13) . . ? C13A Ga1A Ru1A 145.40(13) . . ? C15A Ga1A Ru1A 144.95(12) . . ? C14A Ga1A Ru1A 140.46(13) . . ? C24A Ga2A C23A 36.66(18) . . ? C24A Ga2A C25A 36.91(19) . . ? C23A Ga2A C25A 60.81(17) . . ? C24A Ga2A C22A 60.79(18) . . ? C23A Ga2A C22A 36.16(17) . . ? C25A Ga2A C22A 60.27(17) . . ? C24A Ga2A C21A 60.63(19) . . ? C23A Ga2A C21A 60.02(17) . . ? C25A Ga2A C21A 35.99(18) . . ? C22A Ga2A C21A 35.72(17) . . ? C24A Ga2A Ru1A 154.32(14) . . ? C23A Ga2A Ru1A 149.11(12) . . ? C25A Ga2A Ru1A 149.62(13) . . ? C22A Ga2A Ru1A 142.36(12) . . ? C21A Ga2A Ru1A 142.90(13) . . ? C34A Ga3A C35A 36.52(19) . . ? C34A Ga3A C33A 36.44(17) . . ? C35A Ga3A C33A 60.34(19) . . ? C34A Ga3A C31A 60.33(18) . . ? C35A Ga3A C31A 35.94(18) . . ? C33A Ga3A C31A 59.74(18) . . ? C34A Ga3A C32A 59.83(17) . . ? C35A Ga3A C32A 59.92(18) . . ? C33A Ga3A C32A 35.11(17) . . ? C31A Ga3A C32A 36.09(18) . . ? C34A Ga3A Ru1A 152.63(13) . . ? C35A Ga3A Ru1A 154.61(14) . . ? C33A Ga3A Ru1A 144.18(13) . . ? C31A Ga3A Ru1A 146.54(13) . . ? C32A Ga3A Ru1A 141.23(12) . . ? C59A B1A C47A 111.6(4) . . ? C59A B1A C53A 108.8(4) . . ? C47A B1A C53A 109.1(4) . . ? C59A B1A C41A 108.2(4) . . ? C47A B1A C41A 108.7(4) . . ? C53A B1A C41A 110.4(4) . . ? C2A C1A C5A 108.6(4) . . ? C2A C1A C6A 125.1(5) . . ? C5A C1A C6A 125.3(5) . . ? C2A C1A Ru1A 71.5(3) . . ? C5A C1A Ru1A 71.8(3) . . ? C6A C1A Ru1A 131.9(3) . . ? C3A C2A C1A 108.1(4) . . ? C3A C2A C7A 125.0(5) . . ? C1A C2A C7A 126.5(5) . . ? C3A C2A Ru1A 71.3(3) . . ? C1A C2A Ru1A 70.7(3) . . ? C7A C2A Ru1A 129.7(4) . . ? C2A C3A C4A 108.0(4) . . ? C2A C3A C8A 126.4(5) . . ? C4A C3A C8A 125.0(5) . . ? C2A C3A Ru1A 71.1(3) . . ? C4A C3A Ru1A 71.4(3) . . ? C8A C3A Ru1A 130.1(3) . . ? C3A C4A C5A 108.2(4) . . ? C3A C4A C9A 125.9(4) . . ? C5A C4A C9A 125.1(5) . . ? C3A C4A Ru1A 71.0(3) . . ? C5A C4A Ru1A 71.0(3) . . ? C9A C4A Ru1A 132.1(3) . . ? C1A C5A C4A 107.2(4) . . ? C1A C5A C10A 126.4(4) . . ? C4A C5A C10A 125.7(5) . . ? C1A C5A Ru1A 70.4(3) . . ? C4A C5A Ru1A 71.1(3) . . ? C10A C5A Ru1A 131.2(3) . . ? C15A C11A C12A 107.8(5) . . ? C15A C11A C16A 128.5(5) . . ? C12A C11A C16A 123.6(5) . . ? C15A C11A Ga1A 73.7(3) . . ? C12A C11A Ga1A 70.9(3) . . ? C16A C11A Ga1A 124.8(4) . . ? C13A C12A C11A 106.5(5) . . ? C13A C12A C17A 128.2(6) . . ? C11A C12A C17A 124.7(6) . . ? C13A C12A Ga1A 72.8(3) . . ? C11A C12A Ga1A 72.2(3) . . ? C17A C12A Ga1A 127.2(4) . . ? C14A C13A C12A 108.2(4) . . ? C14A C13A C18A 127.5(6) . . ? C12A C13A C18A 124.2(6) . . ? C14A C13A Ga1A 73.9(3) . . ? C12A C13A Ga1A 70.9(3) . . ? C18A C13A Ga1A 124.0(4) . . ? C15A C14A C13A 108.2(5) . . ? C15A C14A C19A 125.2(6) . . ? C13A C14A C19A 126.3(6) . . ? C15A C14A Ga1A 71.9(3) . . ? C13A C14A Ga1A 70.8(3) . . ? C19A C14A Ga1A 128.6(4) . . ? C11A C15A C14A 109.3(5) . . ? C11A C15A C20A 126.8(5) . . ? C14A C15A C20A 123.8(6) . . ? C11A C15A Ga1A 71.3(3) . . ? C14A C15A Ga1A 73.2(3) . . ? C20A C15A Ga1A 124.4(3) . . ? C22A C21A C25A 108.2(4) . . ? C22A C21A C26A 127.3(5) . . ? C25A C21A C26A 124.4(5) . . ? C22A C21A Ga2A 71.4(3) . . ? C25A C21A Ga2A 70.5(3) . . ? C26A C21A Ga2A 125.8(4) . . ? C23A C22A C21A 107.9(4) . . ? C23A C22A C27A 124.9(4) . . ? C21A C22A C27A 126.7(4) . . ? C23A C22A Ga2A 70.2(3) . . ? C21A C22A Ga2A 72.9(3) . . ? C27A C22A Ga2A 128.7(3) . . ? C22A C23A C24A 108.8(4) . . ? C22A C23A C28A 123.4(5) . . ? C24A C23A C28A 127.5(5) . . ? C22A C23A Ga2A 73.6(3) . . ? C24A C23A Ga2A 71.3(3) . . ? C28A C23A Ga2A 126.0(3) . . ? C23A C24A C25A 107.4(4) . . ? C23A C24A C29A 126.5(5) . . ? C25A C24A C29A 126.1(5) . . ? C23A C24A Ga2A 72.1(3) . . ? C25A C24A Ga2A 72.8(3) . . ? C29A C24A Ga2A 121.9(4) . . ? C21A C25A C24A 107.8(4) . . ? C21A C25A C30A 125.1(5) . . ? C24A C25A C30A 126.9(5) . . ? C21A C25A Ga2A 73.5(3) . . ? C24A C25A Ga2A 70.3(3) . . ? C30A C25A Ga2A 126.4(4) . . ? C35A C31A C32A 107.7(5) . . ? C35A C31A C36A 128.0(5) . . ? C32A C31A C36A 124.2(5) . . ? C35A C31A Ga3A 71.1(3) . . ? C32A C31A Ga3A 72.8(3) . . ? C36A C31A Ga3A 125.0(3) . . ? C33A C32A C31A 108.2(4) . . ? C33A C32A C37A 128.1(5) . . ? C31A C32A C37A 123.4(5) . . ? C33A C32A Ga3A 71.4(3) . . ? C31A C32A Ga3A 71.1(3) . . ? C37A C32A Ga3A 127.3(3) . . ? C32A C33A C34A 108.4(5) . . ? C32A C33A C38A 127.5(5) . . ? C34A C33A C38A 123.9(5) . . ? C32A C33A Ga3A 73.5(3) . . ? C34A C33A Ga3A 70.4(3) . . ? C38A C33A Ga3A 125.2(3) . . ? C35A C34A C33A 107.7(4) . . ? C35A C34A C39A 126.5(5) . . ? C33A C34A C39A 125.2(5) . . ? C35A C34A Ga3A 72.4(3) . . ? C33A C34A Ga3A 73.2(3) . . ? C39A C34A Ga3A 127.4(3) . . ? C31A C35A C34A 107.9(5) . . ? C31A C35A C40A 126.3(5) . . ? C34A C35A C40A 125.7(5) . . ? C31A C35A Ga3A 73.0(3) . . ? C34A C35A Ga3A 71.1(3) . . ? C40A C35A Ga3A 124.2(3) . . ? C46A C41A C42A 115.2(4) . . ? C46A C41A B1A 123.2(4) . . ? C42A C41A B1A 121.4(4) . . ? C43A C42A C41A 121.7(5) . . ? C44A C43A C42A 121.0(5) . . ? C43A C44A C45A 119.1(4) . . ? C46A C45A C44A 119.4(5) . . ? C45A C46A C41A 123.7(5) . . ? C48A C47A C52A 114.7(4) . . ? C48A C47A B1A 123.3(4) . . ? C52A C47A B1A 122.0(4) . . ? C49A C48A C47A 122.7(5) . . ? C48A C49A C50A 120.4(5) . . ? C51A C50A C49A 118.6(5) . . ? C52A C51A C50A 120.9(5) . . ? C51A C52A C47A 122.7(5) . . ? C54A C53A C58A 114.7(4) . . ? C54A C53A B1A 123.3(4) . . ? C58A C53A B1A 121.9(4) . . ? C55A C54A C53A 123.2(5) . . ? C56A C55A C54A 120.2(4) . . ? C55A C56A C57A 119.8(4) . . ? C56A C57A C58A 119.0(5) . . ? C57A C58A C53A 123.2(5) . . ? C60A C59A C64A 115.2(5) . . ? C60A C59A B1A 122.9(4) . . ? C64A C59A B1A 121.7(4) . . ? C61A C60A C59A 123.6(4) . . ? C60A C61A C62A 119.6(5) . . ? C63A C62A C61A 118.7(5) . . ? C62A C63A C64A 121.0(5) . . ? C63A C64A C59A 121.9(5) . . ? 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 C4 Ru1 Ga1 C13 -53.0(4) . . . . ? C5 Ru1 Ga1 C13 -60.8(4) . . . . ? C3 Ru1 Ga1 C13 -124.0(5) . . . . ? C2 Ru1 Ga1 C13 -127.7(4) . . . . ? C1 Ru1 Ga1 C13 -96.2(4) . . . . ? Ga2 Ru1 Ga1 C13 43.4(4) . . . . ? Ga3 Ru1 Ga1 C13 133.5(4) . . . . ? C4 Ru1 Ga1 C14 -158.6(4) . . . . ? C5 Ru1 Ga1 C14 -166.4(3) . . . . ? C3 Ru1 Ga1 C14 130.5(4) . . . . ? C2 Ru1 Ga1 C14 126.7(3) . . . . ? C1 Ru1 Ga1 C14 158.2(3) . . . . ? Ga2 Ru1 Ga1 C14 -62.2(3) . . . . ? Ga3 Ru1 Ga1 C14 28.0(3) . . . . ? C4 Ru1 Ga1 C12 24.0(3) . . . . ? C5 Ru1 Ga1 C12 16.2(2) . . . . ? C3 Ru1 Ga1 C12 -46.9(3) . . . . ? C2 Ru1 Ga1 C12 -50.6(2) . . . . ? C1 Ru1 Ga1 C12 -19.1(2) . . . . ? Ga2 Ru1 Ga1 C12 120.5(2) . . . . ? Ga3 Ru1 Ga1 C12 -149.4(2) . . . . ? C4 Ru1 Ga1 C15 134.2(3) . . . . ? C5 Ru1 Ga1 C15 126.4(2) . . . . ? C3 Ru1 Ga1 C15 63.3(3) . . . . ? C2 Ru1 Ga1 C15 59.6(2) . . . . ? C1 Ru1 Ga1 C15 91.1(2) . . . . ? Ga2 Ru1 Ga1 C15 -129.4(2) . . . . ? Ga3 Ru1 Ga1 C15 -39.2(2) . . . . ? C4 Ru1 Ga1 C11 79.6(3) . . . . ? C5 Ru1 Ga1 C11 71.8(2) . . . . ? C3 Ru1 Ga1 C11 8.7(3) . . . . ? C2 Ru1 Ga1 C11 5.0(2) . . . . ? C1 Ru1 Ga1 C11 36.5(2) . . . . ? Ga2 Ru1 Ga1 C11 176.06(18) . . . . ? Ga3 Ru1 Ga1 C11 -93.79(18) . . . . ? C4 Ru1 Ga2 C21 174.6(3) . . . . ? C5 Ru1 Ga2 C21 138.2(3) . . . . ? C3 Ru1 Ga2 C21 -155.7(3) . . . . ? C2 Ru1 Ga2 C21 -167.7(4) . . . . ? C1 Ru1 Ga2 C21 126.4(4) . . . . ? Ga1 Ru1 Ga2 C21 31.3(3) . . . . ? Ga3 Ru1 Ga2 C21 -58.7(3) . . . . ? C4 Ru1 Ga2 C22 101.8(3) . . . . ? C5 Ru1 Ga2 C22 65.4(3) . . . . ? C3 Ru1 Ga2 C22 131.6(3) . . . . ? C2 Ru1 Ga2 C22 119.5(4) . . . . ? C1 Ru1 Ga2 C22 53.6(3) . . . . ? Ga1 Ru1 Ga2 C22 -41.4(2) . . . . ? Ga3 Ru1 Ga2 C22 -131.5(2) . . . . ? C4 Ru1 Ga2 C25 -87.2(3) . . . . ? C5 Ru1 Ga2 C25 -123.6(3) . . . . ? C3 Ru1 Ga2 C25 -57.4(3) . . . . ? C2 Ru1 Ga2 C25 -69.5(4) . . . . ? C1 Ru1 Ga2 C25 -135.4(4) . . . . ? Ga1 Ru1 Ga2 C25 129.6(3) . . . . ? Ga3 Ru1 Ga2 C25 39.5(3) . . . . ? C4 Ru1 Ga2 C23 44.0(2) . . . . ? C5 Ru1 Ga2 C23 7.6(2) . . . . ? C3 Ru1 Ga2 C23 73.7(3) . . . . ? C2 Ru1 Ga2 C23 61.7(4) . . . . ? C1 Ru1 Ga2 C23 -4.2(3) . . . . ? Ga1 Ru1 Ga2 C23 -99.3(2) . . . . ? Ga3 Ru1 Ga2 C23 170.7(2) . . . . ? C4 Ru1 Ga2 C24 -13.3(3) . . . . ? C5 Ru1 Ga2 C24 -49.7(3) . . . . ? C3 Ru1 Ga2 C24 16.4(3) . . . . ? C2 Ru1 Ga2 C24 4.4(4) . . . . ? C1 Ru1 Ga2 C24 -61.6(3) . . . . ? Ga1 Ru1 Ga2 C24 -156.6(2) . . . . ? Ga3 Ru1 Ga2 C24 113.4(2) . . . . ? C4 Ru1 Ga3 C32 33.9(2) . . . . ? C5 Ru1 Ga3 C32 70.2(4) . . . . ? C3 Ru1 Ga3 C32 58.4(2) . . . . ? C2 Ru1 Ga3 C32 96.8(2) . . . . ? C1 Ru1 Ga3 C32 117.3(2) . . . . ? Ga1 Ru1 Ga3 C32 -150.99(19) . . . . ? Ga2 Ru1 Ga3 C32 -58.36(19) . . . . ? C4 Ru1 Ga3 C33 -23.9(2) . . . . ? C5 Ru1 Ga3 C33 12.4(4) . . . . ? C3 Ru1 Ga3 C33 0.6(2) . . . . ? C2 Ru1 Ga3 C33 38.9(2) . . . . ? C1 Ru1 Ga3 C33 59.5(3) . . . . ? Ga1 Ru1 Ga3 C33 151.2(2) . . . . ? Ga2 Ru1 Ga3 C33 -116.2(2) . . . . ? C4 Ru1 Ga3 C31 97.2(3) . . . . ? C5 Ru1 Ga3 C31 133.5(4) . . . . ? C3 Ru1 Ga3 C31 121.7(3) . . . . ? C2 Ru1 Ga3 C31 160.0(3) . . . . ? C1 Ru1 Ga3 C31 -179.4(3) . . . . ? Ga1 Ru1 Ga3 C31 -87.7(2) . . . . ? Ga2 Ru1 Ga3 C31 4.9(2) . . . . ? C4 Ru1 Ga3 C34 -87.7(3) . . . . ? C5 Ru1 Ga3 C34 -51.4(4) . . . . ? C3 Ru1 Ga3 C34 -63.2(3) . . . . ? C2 Ru1 Ga3 C34 -24.9(3) . . . . ? C1 Ru1 Ga3 C34 -4.3(3) . . . . ? Ga1 Ru1 Ga3 C34 87.4(3) . . . . ? Ga2 Ru1 Ga3 C34 180.0(3) . . . . ? C4 Ru1 Ga3 C35 -173.8(4) . . . . ? C5 Ru1 Ga3 C35 -137.5(5) . . . . ? C3 Ru1 Ga3 C35 -149.3(4) . . . . ? C2 Ru1 Ga3 C35 -111.0(4) . . . . ? C1 Ru1 Ga3 C35 -90.4(4) . . . . ? Ga1 Ru1 Ga3 C35 1.2(3) . . . . ? Ga2 Ru1 Ga3 C35 93.9(3) . . . . ? C4 Ru1 C1 C2 81.2(3) . . . . ? C5 Ru1 C1 C2 119.0(4) . . . . ? C3 Ru1 C1 C2 38.3(3) . . . . ? Ga1 Ru1 C1 C2 -126.4(2) . . . . ? Ga2 Ru1 C1 C2 138.1(2) . . . . ? Ga3 Ru1 C1 C2 -35.3(3) . . . . ? C4 Ru1 C1 C5 -37.9(3) . . . . ? C3 Ru1 C1 C5 -80.7(3) . . . . ? C2 Ru1 C1 C5 -119.0(4) . . . . ? Ga1 Ru1 C1 C5 114.6(3) . . . . ? Ga2 Ru1 C1 C5 19.0(4) . . . . ? Ga3 Ru1 C1 C5 -154.3(2) . . . . ? C4 Ru1 C1 C6 -158.0(5) . . . . ? C5 Ru1 C1 C6 -120.2(6) . . . . ? C3 Ru1 C1 C6 159.2(5) . . . . ? C2 Ru1 C1 C6 120.8(6) . . . . ? Ga1 Ru1 C1 C6 -5.6(4) . . . . ? Ga2 Ru1 C1 C6 -101.1(4) . . . . ? Ga3 Ru1 C1 C6 85.5(5) . . . . ? C5 C1 C2 C3 -1.7(5) . . . . ? C6 C1 C2 C3 169.1(4) . . . . ? Ru1 C1 C2 C3 -62.3(3) . . . . ? C5 C1 C2 C7 -173.8(4) . . . . ? C6 C1 C2 C7 -2.9(7) . . . . ? Ru1 C1 C2 C7 125.6(5) . . . . ? C5 C1 C2 Ru1 60.6(3) . . . . ? C6 C1 C2 Ru1 -128.6(4) . . . . ? C4 Ru1 C2 C1 -79.3(3) . . . . ? C5 Ru1 C2 C1 -36.9(3) . . . . ? C3 Ru1 C2 C1 -116.8(4) . . . . ? Ga1 Ru1 C2 C1 60.2(3) . . . . ? Ga2 Ru1 C2 C1 -99.2(4) . . . . ? Ga3 Ru1 C2 C1 153.6(2) . . . . ? C4 Ru1 C2 C3 37.5(3) . . . . ? C5 Ru1 C2 C3 79.9(3) . . . . ? C1 Ru1 C2 C3 116.8(4) . . . . ? Ga1 Ru1 C2 C3 177.0(2) . . . . ? Ga2 Ru1 C2 C3 17.6(5) . . . . ? Ga3 Ru1 C2 C3 -89.7(3) . . . . ? C4 Ru1 C2 C7 159.6(5) . . . . ? C5 Ru1 C2 C7 -158.0(5) . . . . ? C3 Ru1 C2 C7 122.1(6) . . . . ? C1 Ru1 C2 C7 -121.1(6) . . . . ? Ga1 Ru1 C2 C7 -60.9(5) . . . . ? Ga2 Ru1 C2 C7 139.7(3) . . . . ? Ga3 Ru1 C2 C7 32.5(4) . . . . ? C1 C2 C3 C4 1.4(5) . . . . ? C7 C2 C3 C4 173.3(4) . . . . ? Ru1 C2 C3 C4 -61.7(3) . . . . ? C1 C2 C3 C8 -169.9(4) . . . . ? C7 C2 C3 C8 2.0(8) . . . . ? Ru1 C2 C3 C8 127.1(5) . . . . ? C1 C2 C3 Ru1 63.1(3) . . . . ? C7 C2 C3 Ru1 -125.0(5) . . . . ? C5 Ru1 C3 C4 37.6(3) . . . . ? C2 Ru1 C3 C4 117.5(4) . . . . ? C1 Ru1 C3 C4 80.2(3) . . . . ? Ga1 Ru1 C3 C4 111.9(3) . . . . ? Ga2 Ru1 C3 C4 -53.9(3) . . . . ? Ga3 Ru1 C3 C4 -147.2(3) . . . . ? C4 Ru1 C3 C2 -117.5(4) . . . . ? C5 Ru1 C3 C2 -79.9(3) . . . . ? C1 Ru1 C3 C2 -37.3(3) . . . . ? Ga1 Ru1 C3 C2 -5.6(4) . . . . ? Ga2 Ru1 C3 C2 -171.4(2) . . . . ? Ga3 Ru1 C3 C2 95.3(3) . . . . ? C4 Ru1 C3 C8 118.8(6) . . . . ? C5 Ru1 C3 C8 156.4(5) . . . . ? C2 Ru1 C3 C8 -123.7(6) . . . . ? C1 Ru1 C3 C8 -161.0(5) . . . . ? Ga1 Ru1 C3 C8 -129.3(4) . . . . ? Ga2 Ru1 C3 C8 64.9(5) . . . . ? Ga3 Ru1 C3 C8 -28.4(5) . . . . ? C2 C3 C4 C5 -0.5(5) . . . . ? C8 C3 C4 C5 171.1(4) . . . . ? Ru1 C3 C4 C5 -62.3(3) . . . . ? C2 C3 C4 C9 -171.2(4) . . . . ? C8 C3 C4 C9 0.5(7) . . . . ? Ru1 C3 C4 C9 127.0(5) . . . . ? C2 C3 C4 Ru1 61.8(3) . . . . ? C8 C3 C4 Ru1 -126.6(5) . . . . ? C3 Ru1 C4 C5 117.3(4) . . . . ? C2 Ru1 C4 C5 79.6(3) . . . . ? C1 Ru1 C4 C5 37.9(3) . . . . ? Ga1 Ru1 C4 C5 -12.3(4) . . . . ? Ga2 Ru1 C4 C5 -109.1(2) . . . . ? Ga3 Ru1 C4 C5 159.5(2) . . . . ? C5 Ru1 C4 C3 -117.3(4) . . . . ? C2 Ru1 C4 C3 -37.7(3) . . . . ? C1 Ru1 C4 C3 -79.4(3) . . . . ? Ga1 Ru1 C4 C3 -129.6(3) . . . . ? Ga2 Ru1 C4 C3 133.7(3) . . . . ? Ga3 Ru1 C4 C3 42.2(3) . . . . ? C5 Ru1 C4 C9 122.9(6) . . . . ? C3 Ru1 C4 C9 -119.8(6) . . . . ? C2 Ru1 C4 C9 -157.5(5) . . . . ? C1 Ru1 C4 C9 160.8(5) . . . . ? Ga1 Ru1 C4 C9 110.6(5) . . . . ? Ga2 Ru1 C4 C9 13.8(5) . . . . ? Ga3 Ru1 C4 C9 -77.6(5) . . . . ? C3 C4 C5 C1 -0.5(5) . . . . ? C9 C4 C5 C1 169.9(4) . . . . ? Ru1 C4 C5 C1 -62.8(3) . . . . ? C3 C4 C5 C10 -172.1(4) . . . . ? C9 C4 C5 C10 -1.7(8) . . . . ? Ru1 C4 C5 C10 125.7(5) . . . . ? C3 C4 C5 Ru1 62.3(3) . . . . ? C9 C4 C5 Ru1 -127.4(5) . . . . ? C2 C1 C5 C4 1.4(5) . . . . ? C6 C1 C5 C4 -169.5(4) . . . . ? Ru1 C1 C5 C4 62.3(3) . . . . ? C2 C1 C5 C10 173.0(4) . . . . ? C6 C1 C5 C10 2.1(7) . . . . ? Ru1 C1 C5 C10 -126.1(5) . . . . ? C2 C1 C5 Ru1 -60.9(3) . . . . ? C6 C1 C5 Ru1 128.3(4) . . . . ? C3 Ru1 C5 C4 -37.7(3) . . . . ? C2 Ru1 C5 C4 -80.6(3) . . . . ? C1 Ru1 C5 C4 -116.8(4) . . . . ? Ga1 Ru1 C5 C4 172.3(2) . . . . ? Ga2 Ru1 C5 C4 75.8(2) . . . . ? Ga3 Ru1 C5 C4 -50.9(5) . . . . ? C4 Ru1 C5 C1 116.8(4) . . . . ? C3 Ru1 C5 C1 79.1(3) . . . . ? C2 Ru1 C5 C1 36.2(3) . . . . ? Ga1 Ru1 C5 C1 -70.9(3) . . . . ? Ga2 Ru1 C5 C1 -167.4(2) . . . . ? Ga3 Ru1 C5 C1 65.9(5) . . . . ? C4 Ru1 C5 C10 -121.5(6) . . . . ? C3 Ru1 C5 C10 -159.3(5) . . . . ? C2 Ru1 C5 C10 157.8(5) . . . . ? C1 Ru1 C5 C10 121.6(6) . . . . ? Ga1 Ru1 C5 C10 50.8(5) . . . . ? Ga2 Ru1 C5 C10 -45.8(5) . . . . ? Ga3 Ru1 C5 C10 -172.5(3) . . . . ? C13 Ga1 C11 C12 38.0(3) . . . . ? C14 Ga1 C11 C12 80.9(3) . . . . ? C15 Ga1 C11 C12 117.8(4) . . . . ? Ru1 Ga1 C11 C12 -123.9(2) . . . . ? C13 Ga1 C11 C15 -79.8(3) . . . . ? C14 Ga1 C11 C15 -36.9(3) . . . . ? C12 Ga1 C11 C15 -117.8(4) . . . . ? Ru1 Ga1 C11 C15 118.3(3) . . . . ? C13 Ga1 C11 C16 161.1(5) . . . . ? C14 Ga1 C11 C16 -156.0(5) . . . . ? C12 Ga1 C11 C16 123.1(6) . . . . ? C15 Ga1 C11 C16 -119.1(6) . . . . ? Ru1 Ga1 C11 C16 -0.8(5) . . . . ? C15 C11 C12 C13 0.1(5) . . . . ? C16 C11 C12 C13 174.3(5) . . . . ? Ga1 C11 C12 C13 -61.4(3) . . . . ? C15 C11 C12 C17 -175.1(4) . . . . ? C16 C11 C12 C17 -0.9(8) . . . . ? Ga1 C11 C12 C17 123.4(5) . . . . ? C15 C11 C12 Ga1 61.5(3) . . . . ? C16 C11 C12 Ga1 -124.3(5) . . . . ? C13 Ga1 C12 C11 -116.3(4) . . . . ? C14 Ga1 C12 C11 -78.3(3) . . . . ? C15 Ga1 C12 C11 -36.5(3) . . . . ? Ru1 Ga1 C12 C11 100.4(3) . . . . ? C14 Ga1 C12 C13 38.1(3) . . . . ? C15 Ga1 C12 C13 79.8(3) . . . . ? C11 Ga1 C12 C13 116.3(4) . . . . ? Ru1 Ga1 C12 C13 -143.2(2) . . . . ? C13 Ga1 C12 C17 119.2(5) . . . . ? C14 Ga1 C12 C17 157.2(5) . . . . ? C15 Ga1 C12 C17 -161.0(5) . . . . ? C11 Ga1 C12 C17 -124.5(6) . . . . ? Ru1 Ga1 C12 C17 -24.0(5) . . . . ? C11 C12 C13 C14 -0.3(5) . . . . ? C17 C12 C13 C14 175.0(4) . . . . ? Ga1 C12 C13 C14 -64.9(3) . . . . ? C11 C12 C13 C18 -173.1(4) . . . . ? C17 C12 C13 C18 2.2(8) . . . . ? Ga1 C12 C13 C18 122.3(5) . . . . ? C11 C12 C13 Ga1 64.6(3) . . . . ? C17 C12 C13 Ga1 -120.1(5) . . . . ? C14 Ga1 C13 C12 -116.2(4) . . . . ? C15 Ga1 C13 C12 -78.0(3) . . . . ? C11 Ga1 C13 C12 -36.9(3) . . . . ? Ru1 Ga1 C13 C12 107.2(4) . . . . ? C12 Ga1 C13 C14 116.2(4) . . . . ? C15 Ga1 C13 C14 38.1(3) . . . . ? C11 Ga1 C13 C14 79.3(3) . . . . ? Ru1 Ga1 C13 C14 -136.6(3) . . . . ? C14 Ga1 C13 C18 121.8(6) . . . . ? C12 Ga1 C13 C18 -122.0(6) . . . . ? C15 Ga1 C13 C18 160.0(5) . . . . ? C11 Ga1 C13 C18 -158.9(5) . . . . ? Ru1 Ga1 C13 C18 -14.8(8) . . . . ? C12 C13 C14 C15 0.3(5) . . . . ? C18 C13 C14 C15 173.0(5) . . . . ? Ga1 C13 C14 C15 -65.9(3) . . . . ? C12 C13 C14 C19 -176.2(5) . . . . ? C18 C13 C14 C19 -3.5(8) . . . . ? Ga1 C13 C14 C19 117.6(5) . . . . ? C12 C13 C14 Ga1 66.2(3) . . . . ? C18 C13 C14 Ga1 -121.1(5) . . . . ? C13 Ga1 C14 C15 114.6(4) . . . . ? C12 Ga1 C14 C15 77.1(3) . . . . ? C11 Ga1 C14 C15 36.2(3) . . . . ? Ru1 Ga1 C14 C15 -101.2(4) . . . . ? C12 Ga1 C14 C13 -37.5(3) . . . . ? C15 Ga1 C14 C13 -114.6(4) . . . . ? C11 Ga1 C14 C13 -78.4(3) . . . . ? Ru1 Ga1 C14 C13 144.2(3) . . . . ? C13 Ga1 C14 C19 -121.0(6) . . . . ? C12 Ga1 C14 C19 -158.5(5) . . . . ? C15 Ga1 C14 C19 124.4(6) . . . . ? C11 Ga1 C14 C19 160.7(5) . . . . ? Ru1 Ga1 C14 C19 23.3(7) . . . . ? C13 C14 C15 C11 -0.2(5) . . . . ? C19 C14 C15 C11 176.2(5) . . . . ? Ga1 C14 C15 C11 -63.8(3) . . . . ? C13 C14 C15 C20 -177.9(5) . . . . ? C19 C14 C15 C20 -1.4(8) . . . . ? Ga1 C14 C15 C20 118.6(5) . . . . ? C13 C14 C15 Ga1 63.5(3) . . . . ? C19 C14 C15 Ga1 -120.0(5) . . . . ? C12 C11 C15 C14 0.1(5) . . . . ? C16 C11 C15 C14 -174.3(4) . . . . ? Ga1 C11 C15 C14 61.4(3) . . . . ? C12 C11 C15 C20 177.8(4) . . . . ? C16 C11 C15 C20 3.4(7) . . . . ? Ga1 C11 C15 C20 -120.9(5) . . . . ? C12 C11 C15 Ga1 -61.3(3) . . . . ? C16 C11 C15 Ga1 124.3(5) . . . . ? C13 Ga1 C15 C14 -39.0(3) . . . . ? C12 Ga1 C15 C14 -81.4(3) . . . . ? C11 Ga1 C15 C14 -117.8(4) . . . . ? Ru1 Ga1 C15 C14 137.9(2) . . . . ? C13 Ga1 C15 C11 78.8(3) . . . . ? C14 Ga1 C15 C11 117.8(4) . . . . ? C12 Ga1 C15 C11 36.4(3) . . . . ? Ru1 Ga1 C15 C11 -104.2(3) . . . . ? C13 Ga1 C15 C20 -160.9(5) . . . . ? C14 Ga1 C15 C20 -121.9(6) . . . . ? C12 Ga1 C15 C20 156.7(5) . . . . ? C11 Ga1 C15 C20 120.3(6) . . . . ? Ru1 Ga1 C15 C20 16.1(6) . . . . ? C22 Ga2 C21 C25 -115.8(4) . . . . ? C23 Ga2 C21 C25 -78.3(3) . . . . ? C24 Ga2 C21 C25 -37.4(3) . . . . ? Ru1 Ga2 C21 C25 137.4(3) . . . . ? C25 Ga2 C21 C22 115.8(4) . . . . ? C23 Ga2 C21 C22 37.6(3) . . . . ? C24 Ga2 C21 C22 78.5(3) . . . . ? Ru1 Ga2 C21 C22 -106.8(4) . . . . ? C22 Ga2 C21 C26 122.1(6) . . . . ? C25 Ga2 C21 C26 -122.1(5) . . . . ? C23 Ga2 C21 C26 159.7(5) . . . . ? C24 Ga2 C21 C26 -159.4(5) . . . . ? Ru1 Ga2 C21 C26 15.3(6) . . . . ? C25 C21 C22 C23 -0.1(5) . . . . ? C26 C21 C22 C23 174.5(5) . . . . ? Ga2 C21 C22 C23 -65.2(3) . . . . ? C25 C21 C22 C27 -177.9(5) . . . . ? C26 C21 C22 C27 -3.4(8) . . . . ? Ga2 C21 C22 C27 116.9(5) . . . . ? C25 C21 C22 Ga2 65.2(3) . . . . ? C26 C21 C22 Ga2 -120.3(5) . . . . ? C21 Ga2 C22 C23 115.7(4) . . . . ? C25 Ga2 C22 C23 77.9(3) . . . . ? C24 Ga2 C22 C23 36.5(3) . . . . ? Ru1 Ga2 C22 C23 -106.2(3) . . . . ? C25 Ga2 C22 C21 -37.7(3) . . . . ? C23 Ga2 C22 C21 -115.7(4) . . . . ? C24 Ga2 C22 C21 -79.2(3) . . . . ? Ru1 Ga2 C22 C21 138.1(3) . . . . ? C21 Ga2 C22 C27 -121.3(6) . . . . ? C25 Ga2 C22 C27 -159.0(6) . . . . ? C23 Ga2 C22 C27 123.1(6) . . . . ? C24 Ga2 C22 C27 159.5(6) . . . . ? Ru1 Ga2 C22 C27 16.8(6) . . . . ? C21 C22 C23 C24 0.0(5) . . . . ? C27 C22 C23 C24 177.8(5) . . . . ? Ga2 C22 C23 C24 -63.3(3) . . . . ? C21 C22 C23 C28 -175.8(4) . . . . ? C27 C22 C23 C28 2.0(8) . . . . ? Ga2 C22 C23 C28 120.8(5) . . . . ? C21 C22 C23 Ga2 63.3(3) . . . . ? C27 C22 C23 Ga2 -118.8(5) . . . . ? C21 Ga2 C23 C24 78.9(3) . . . . ? C22 Ga2 C23 C24 117.3(4) . . . . ? C25 Ga2 C23 C24 36.7(3) . . . . ? Ru1 Ga2 C23 C24 -122.6(3) . . . . ? C21 Ga2 C23 C22 -38.5(3) . . . . ? C25 Ga2 C23 C22 -80.7(3) . . . . ? C24 Ga2 C23 C22 -117.3(4) . . . . ? Ru1 Ga2 C23 C22 120.0(3) . . . . ? C21 Ga2 C23 C28 -157.0(6) . . . . ? C22 Ga2 C23 C28 -118.5(6) . . . . ? C25 Ga2 C23 C28 160.8(6) . . . . ? C24 Ga2 C23 C28 124.1(6) . . . . ? Ru1 Ga2 C23 C28 1.5(6) . . . . ? C22 C23 C24 C25 0.1(5) . . . . ? C28 C23 C24 C25 175.7(5) . . . . ? Ga2 C23 C24 C25 -61.5(3) . . . . ? C22 C23 C24 C29 -172.2(4) . . . . ? C28 C23 C24 C29 3.5(8) . . . . ? Ga2 C23 C24 C29 126.2(5) . . . . ? C22 C23 C24 Ga2 61.6(3) . . . . ? C28 C23 C24 Ga2 -122.7(5) . . . . ? C21 Ga2 C24 C23 -80.1(3) . . . . ? C22 Ga2 C24 C23 -37.2(3) . . . . ? C25 Ga2 C24 C23 -118.1(4) . . . . ? Ru1 Ga2 C24 C23 103.7(3) . . . . ? C21 Ga2 C24 C25 37.9(3) . . . . ? C22 Ga2 C24 C25 80.8(3) . . . . ? C23 Ga2 C24 C25 118.1(4) . . . . ? Ru1 Ga2 C24 C25 -138.2(2) . . . . ? C21 Ga2 C24 C29 156.2(5) . . . . ? C22 Ga2 C24 C29 -160.9(5) . . . . ? C25 Ga2 C24 C29 118.3(6) . . . . ? C23 Ga2 C24 C29 -123.7(6) . . . . ? Ru1 Ga2 C24 C29 -20.0(6) . . . . ? C22 C21 C25 C24 0.1(5) . . . . ? C26 C21 C25 C24 -174.5(4) . . . . ? Ga2 C21 C25 C24 64.5(3) . . . . ? C22 C21 C25 C30 170.9(4) . . . . ? C26 C21 C25 C30 -3.7(8) . . . . ? Ga2 C21 C25 C30 -124.7(5) . . . . ? C22 C21 C25 Ga2 -64.4(3) . . . . ? C26 C21 C25 Ga2 121.0(5) . . . . ? C23 C24 C25 C21 -0.1(5) . . . . ? C29 C24 C25 C21 172.5(4) . . . . ? Ga2 C24 C25 C21 -62.3(3) . . . . ? C23 C24 C25 C30 -171.3(4) . . . . ? C29 C24 C25 C30 1.3(7) . . . . ? Ga2 C24 C25 C30 126.5(5) . . . . ? C23 C24 C25 Ga2 62.2(3) . . . . ? C29 C24 C25 Ga2 -125.2(4) . . . . ? C22 Ga2 C25 C21 38.3(3) . . . . ? C23 Ga2 C25 C21 80.0(3) . . . . ? C24 Ga2 C25 C21 116.1(4) . . . . ? Ru1 Ga2 C25 C21 -135.6(3) . . . . ? C21 Ga2 C25 C24 -116.1(4) . . . . ? C22 Ga2 C25 C24 -77.9(3) . . . . ? C23 Ga2 C25 C24 -36.2(3) . . . . ? Ru1 Ga2 C25 C24 108.3(4) . . . . ? C21 Ga2 C25 C30 122.7(6) . . . . ? C22 Ga2 C25 C30 160.9(5) . . . . ? C23 Ga2 C25 C30 -157.4(5) . . . . ? C24 Ga2 C25 C30 -121.2(6) . . . . ? Ru1 Ga2 C25 C30 -12.9(7) . . . . ? C33 Ga3 C31 C32 37.1(3) . . . . ? C34 Ga3 C31 C32 79.1(3) . . . . ? C35 Ga3 C31 C32 116.1(4) . . . . ? Ru1 Ga3 C31 C32 -103.7(3) . . . . ? C32 Ga3 C31 C35 -116.1(4) . . . . ? C33 Ga3 C31 C35 -78.9(3) . . . . ? C34 Ga3 C31 C35 -36.9(3) . . . . ? Ru1 Ga3 C31 C35 140.2(2) . . . . ? C32 Ga3 C31 C36 123.1(5) . . . . ? C33 Ga3 C31 C36 160.2(5) . . . . ? C34 Ga3 C31 C36 -157.8(5) . . . . ? C35 Ga3 C31 C36 -120.9(5) . . . . ? Ru1 Ga3 C31 C36 19.3(6) . . . . ? C35 C31 C32 C33 0.6(5) . . . . ? C36 C31 C32 C33 175.8(5) . . . . ? Ga3 C31 C32 C33 -63.7(3) . . . . ? C35 C31 C32 C37 -179.8(4) . . . . ? C36 C31 C32 C37 -4.5(8) . . . . ? Ga3 C31 C32 C37 116.0(5) . . . . ? C35 C31 C32 Ga3 64.2(3) . . . . ? C36 C31 C32 Ga3 -120.5(5) . . . . ? C33 Ga3 C32 C31 -116.9(4) . . . . ? C34 Ga3 C32 C31 -79.4(3) . . . . ? C35 Ga3 C32 C31 -38.0(3) . . . . ? Ru1 Ga3 C32 C31 130.2(2) . . . . ? C31 Ga3 C32 C33 116.9(4) . . . . ? C34 Ga3 C32 C33 37.5(3) . . . . ? C35 Ga3 C32 C33 78.9(3) . . . . ? Ru1 Ga3 C32 C33 -112.9(3) . . . . ? C33 Ga3 C32 C37 124.5(5) . . . . ? C31 Ga3 C32 C37 -118.6(5) . . . . ? C34 Ga3 C32 C37 162.0(4) . . . . ? C35 Ga3 C32 C37 -156.6(4) . . . . ? Ru1 Ga3 C32 C37 11.6(5) . . . . ? C31 C32 C33 C34 0.1(6) . . . . ? C37 C32 C33 C34 -179.5(5) . . . . ? Ga3 C32 C33 C34 -63.8(3) . . . . ? C31 C32 C33 C38 -172.3(5) . . . . ? C37 C32 C33 C38 8.1(8) . . . . ? Ga3 C32 C33 C38 123.8(5) . . . . ? C31 C32 C33 Ga3 63.9(3) . . . . ? C37 C32 C33 Ga3 -115.7(5) . . . . ? C31 Ga3 C33 C32 -37.0(3) . . . . ? C34 Ga3 C33 C32 -116.7(4) . . . . ? C35 Ga3 C33 C32 -79.4(3) . . . . ? Ru1 Ga3 C33 C32 113.3(3) . . . . ? C32 Ga3 C33 C34 116.7(4) . . . . ? C31 Ga3 C33 C34 79.6(3) . . . . ? C35 Ga3 C33 C34 37.2(3) . . . . ? Ru1 Ga3 C33 C34 -130.1(3) . . . . ? C32 Ga3 C33 C38 -122.6(6) . . . . ? C31 Ga3 C33 C38 -159.6(5) . . . . ? C34 Ga3 C33 C38 120.8(6) . . . . ? C35 Ga3 C33 C38 158.0(5) . . . . ? Ru1 Ga3 C33 C38 -9.3(6) . . . . ? C32 C33 C34 C35 -0.7(6) . . . . ? C38 C33 C34 C35 171.8(5) . . . . ? Ga3 C33 C34 C35 -64.2(3) . . . . ? C32 C33 C34 C39 -178.4(5) . . . . ? C38 C33 C34 C39 -5.8(8) . . . . ? Ga3 C33 C34 C39 118.1(5) . . . . ? C32 C33 C34 Ga3 63.6(3) . . . . ? C38 C33 C34 Ga3 -123.9(5) . . . . ? C32 Ga3 C34 C35 79.2(3) . . . . ? C33 Ga3 C34 C35 116.3(4) . . . . ? C31 Ga3 C34 C35 37.7(3) . . . . ? Ru1 Ga3 C34 C35 -139.5(3) . . . . ? C32 Ga3 C34 C33 -37.1(3) . . . . ? C31 Ga3 C34 C33 -78.5(3) . . . . ? C35 Ga3 C34 C33 -116.3(4) . . . . ? Ru1 Ga3 C34 C33 104.3(3) . . . . ? C32 Ga3 C34 C39 -159.4(5) . . . . ? C33 Ga3 C34 C39 -122.3(6) . . . . ? C31 Ga3 C34 C39 159.2(5) . . . . ? C35 Ga3 C34 C39 121.4(5) . . . . ? Ru1 Ga3 C34 C39 -18.0(6) . . . . ? C33 C34 C35 C31 1.0(5) . . . . ? C39 C34 C35 C31 178.7(4) . . . . ? Ga3 C34 C35 C31 -62.3(3) . . . . ? C33 C34 C35 C40 -170.2(5) . . . . ? C39 C34 C35 C40 7.5(8) . . . . ? Ga3 C34 C35 C40 126.5(5) . . . . ? C33 C34 C35 Ga3 63.3(3) . . . . ? C39 C34 C35 Ga3 -119.0(5) . . . . ? C32 C31 C35 C34 -1.0(5) . . . . ? C36 C31 C35 C34 -176.4(4) . . . . ? Ga3 C31 C35 C34 62.7(3) . . . . ? C32 C31 C35 C40 170.6(5) . . . . ? C36 C31 C35 C40 -4.8(8) . . . . ? Ga3 C31 C35 C40 -125.7(5) . . . . ? C32 C31 C35 Ga3 -63.6(3) . . . . ? C36 C31 C35 Ga3 121.0(5) . . . . ? C32 Ga3 C35 C34 -79.3(3) . . . . ? C33 Ga3 C35 C34 -37.7(3) . . . . ? C31 Ga3 C35 C34 -116.6(4) . . . . ? Ru1 Ga3 C35 C34 120.6(3) . . . . ? C32 Ga3 C35 C31 37.3(3) . . . . ? C33 Ga3 C35 C31 78.9(3) . . . . ? C34 Ga3 C35 C31 116.6(4) . . . . ? Ru1 Ga3 C35 C31 -122.7(3) . . . . ? C32 Ga3 C35 C40 156.4(5) . . . . ? C33 Ga3 C35 C40 -162.0(5) . . . . ? C31 Ga3 C35 C40 119.1(6) . . . . ? C34 Ga3 C35 C40 -124.3(6) . . . . ? Ru1 Ga3 C35 C40 -3.7(7) . . . . ? C47 B1 C41 C42 129.9(5) . . . . ? C59 B1 C41 C42 -110.0(5) . . . . ? C53 B1 C41 C42 11.2(6) . . . . ? C47 B1 C41 C46 -49.0(6) . . . . ? C59 B1 C41 C46 71.0(6) . . . . ? C53 B1 C41 C46 -167.7(4) . . . . ? C46 C41 C42 C43 -0.8(7) . . . . ? B1 C41 C42 C43 -179.8(4) . . . . ? C41 C42 C43 C44 -0.4(7) . . . . ? C42 C43 C44 C45 0.4(7) . . . . ? C43 C44 C45 C46 0.9(7) . . . . ? C44 C45 C46 C41 -2.2(8) . . . . ? C42 C41 C46 C45 2.1(7) . . . . ? B1 C41 C46 C45 -178.9(5) . . . . ? C59 B1 C47 C52 31.1(6) . . . . ? C41 B1 C47 C52 152.8(4) . . . . ? C53 B1 C47 C52 -87.4(5) . . . . ? C59 B1 C47 C48 -151.5(4) . . . . ? C41 B1 C47 C48 -29.8(6) . . . . ? C53 B1 C47 C48 90.0(5) . . . . ? C52 C47 C48 C49 1.7(7) . . . . ? B1 C47 C48 C49 -175.9(5) . . . . ? C47 C48 C49 C50 -2.0(8) . . . . ? C48 C49 C50 C51 1.4(8) . . . . ? C49 C50 C51 C52 -0.8(8) . . . . ? C50 C51 C52 C47 0.6(8) . . . . ? C48 C47 C52 C51 -1.0(7) . . . . ? B1 C47 C52 C51 176.6(5) . . . . ? C47 B1 C53 C58 -24.0(6) . . . . ? C59 B1 C53 C58 -141.5(4) . . . . ? C41 B1 C53 C58 96.5(5) . . . . ? C47 B1 C53 C54 158.0(4) . . . . ? C59 B1 C53 C54 40.4(6) . . . . ? C41 B1 C53 C54 -81.6(5) . . . . ? C58 C53 C54 C55 0.7(7) . . . . ? B1 C53 C54 C55 178.9(5) . . . . ? C53 C54 C55 C56 0.5(8) . . . . ? C54 C55 C56 C57 -2.1(8) . . . . ? C55 C56 C57 C58 2.5(7) . . . . ? C56 C57 C58 C53 -1.3(7) . . . . ? C54 C53 C58 C57 -0.3(7) . . . . ? B1 C53 C58 C57 -178.5(4) . . . . ? C47 B1 C59 C64 97.7(5) . . . . ? C41 B1 C59 C64 -23.8(7) . . . . ? C53 B1 C59 C64 -145.0(4) . . . . ? C47 B1 C59 C60 -79.7(6) . . . . ? C41 B1 C59 C60 158.8(4) . . . . ? C53 B1 C59 C60 37.6(6) . . . . ? C64 C59 C60 C61 -3.7(8) . . . . ? B1 C59 C60 C61 173.9(5) . . . . ? C59 C60 C61 C62 2.0(9) . . . . ? C60 C61 C62 C63 -0.1(9) . . . . ? C61 C62 C63 C64 -0.1(8) . . . . ? C60 C59 C64 C63 3.6(7) . . . . ? B1 C59 C64 C63 -173.9(4) . . . . ? C62 C63 C64 C59 -1.8(8) . . . . ? C1A Ru1A Ga1A C12A 89.4(4) . . . . ? C2A Ru1A Ga1A C12A 131.7(5) . . . . ? C3A Ru1A Ga1A C12A 172.5(4) . . . . ? C5A Ru1A Ga1A C12A 111.7(4) . . . . ? C4A Ru1A Ga1A C12A 149.8(4) . . . . ? Ga2A Ru1A Ga1A C12A -94.3(4) . . . . ? Ga3A Ru1A Ga1A C12A -3.6(4) . . . . ? C1A Ru1A Ga1A C11A -175.7(4) . . . . ? C2A Ru1A Ga1A C11A -133.4(5) . . . . ? C3A Ru1A Ga1A C11A -92.6(4) . . . . ? C5A Ru1A Ga1A C11A -153.4(3) . . . . ? C4A Ru1A Ga1A C11A -115.3(3) . . . . ? Ga2A Ru1A Ga1A C11A 0.6(3) . . . . ? Ga3A Ru1A Ga1A C11A 91.4(3) . . . . ? C1A Ru1A Ga1A C13A 14.2(3) . . . . ? C2A Ru1A Ga1A C13A 56.5(5) . . . . ? C3A Ru1A Ga1A C13A 97.3(3) . . . . ? C5A Ru1A Ga1A C13A 36.5(3) . . . . ? C4A Ru1A Ga1A C13A 74.6(3) . . . . ? Ga2A Ru1A Ga1A C13A -169.5(3) . . . . ? Ga3A Ru1A Ga1A C13A -78.8(3) . . . . ? C1A Ru1A Ga1A C15A -104.7(3) . . . . ? C2A Ru1A Ga1A C15A -62.4(4) . . . . ? C3A Ru1A Ga1A C15A -21.6(3) . . . . ? C5A Ru1A Ga1A C15A -82.4(3) . . . . ? C4A Ru1A Ga1A C15A -44.3(3) . . . . ? Ga2A Ru1A Ga1A C15A 71.6(3) . . . . ? Ga3A Ru1A Ga1A C15A 162.3(3) . . . . ? C1A Ru1A Ga1A C14A -45.8(3) . . . . ? C2A Ru1A Ga1A C14A -3.5(4) . . . . ? C3A Ru1A Ga1A C14A 37.3(3) . . . . ? C5A Ru1A Ga1A C14A -23.6(3) . . . . ? C4A Ru1A Ga1A C14A 14.6(3) . . . . ? Ga2A Ru1A Ga1A C14A 130.5(2) . . . . ? Ga3A Ru1A Ga1A C14A -138.8(2) . . . . ? C1A Ru1A Ga2A C24A -129.5(4) . . . . ? C2A Ru1A Ga2A C24A -141.1(4) . . . . ? C3A Ru1A Ga2A C24A -177.2(4) . . . . ? C5A Ru1A Ga2A C24A 163.3(4) . . . . ? C4A Ru1A Ga2A C24A 153.0(4) . . . . ? Ga1A Ru1A Ga2A C24A 55.0(3) . . . . ? Ga3A Ru1A Ga2A C24A -36.4(3) . . . . ? C1A Ru1A Ga2A C23A -46.9(3) . . . . ? C2A Ru1A Ga2A C23A -58.6(3) . . . . ? C3A Ru1A Ga2A C23A -94.6(3) . . . . ? C5A Ru1A Ga2A C23A -114.2(4) . . . . ? C4A Ru1A Ga2A C23A -124.4(3) . . . . ? Ga1A Ru1A Ga2A C23A 137.5(2) . . . . ? Ga3A Ru1A Ga2A C23A 46.2(2) . . . . ? C1A Ru1A Ga2A C25A 146.3(3) . . . . ? C2A Ru1A Ga2A C25A 134.7(3) . . . . ? C3A Ru1A Ga2A C25A 98.6(3) . . . . ? C5A Ru1A Ga2A C25A 79.1(4) . . . . ? C4A Ru1A Ga2A C25A 68.8(3) . . . . ? Ga1A Ru1A Ga2A C25A -29.2(3) . . . . ? Ga3A Ru1A Ga2A C25A -120.6(3) . . . . ? C1A Ru1A Ga2A C22A 19.0(3) . . . . ? C2A Ru1A Ga2A C22A 7.4(2) . . . . ? C3A Ru1A Ga2A C22A -28.7(2) . . . . ? C5A Ru1A Ga2A C22A -48.2(3) . . . . ? C4A Ru1A Ga2A C22A -58.5(2) . . . . ? Ga1A Ru1A Ga2A C22A -156.54(19) . . . . ? Ga3A Ru1A Ga2A C22A 112.13(19) . . . . ? C1A Ru1A Ga2A C21A 79.7(3) . . . . ? C2A Ru1A Ga2A C21A 68.0(3) . . . . ? C3A Ru1A Ga2A C21A 32.0(3) . . . . ? C5A Ru1A Ga2A C21A 12.5(4) . . . . ? C4A Ru1A Ga2A C21A 2.2(3) . . . . ? Ga1A Ru1A Ga2A C21A -95.8(2) . . . . ? Ga3A Ru1A Ga2A C21A 172.8(2) . . . . ? C1A Ru1A Ga3A C34A 106.1(3) . . . . ? C2A Ru1A Ga3A C34A 70.2(3) . . . . ? C3A Ru1A Ga3A C34A 59.3(4) . . . . ? C5A Ru1A Ga3A C34A 136.9(3) . . . . ? C4A Ru1A Ga3A C34A 128.1(4) . . . . ? Ga1A Ru1A Ga3A C34A -125.7(3) . . . . ? Ga2A Ru1A Ga3A C34A -33.4(3) . . . . ? C1A Ru1A Ga3A C35A -164.2(4) . . . . ? C2A Ru1A Ga3A C35A 159.8(4) . . . . ? C3A Ru1A Ga3A C35A 148.9(4) . . . . ? C5A Ru1A Ga3A C35A -133.5(4) . . . . ? C4A Ru1A Ga3A C35A -142.2(4) . . . . ? Ga1A Ru1A Ga3A C35A -36.1(3) . . . . ? Ga2A Ru1A Ga3A C35A 56.2(3) . . . . ? C1A Ru1A Ga3A C33A 34.4(3) . . . . ? C2A Ru1A Ga3A C33A -1.5(3) . . . . ? C3A Ru1A Ga3A C33A -12.5(3) . . . . ? C5A Ru1A Ga3A C33A 65.1(3) . . . . ? C4A Ru1A Ga3A C33A 56.4(3) . . . . ? Ga1A Ru1A Ga3A C33A 162.6(2) . . . . ? Ga2A Ru1A Ga3A C33A -105.1(2) . . . . ? C1A Ru1A Ga3A C31A -87.9(3) . . . . ? C2A Ru1A Ga3A C31A -123.9(3) . . . . ? C3A Ru1A Ga3A C31A -134.8(3) . . . . ? C5A Ru1A Ga3A C31A -57.2(3) . . . . ? C4A Ru1A Ga3A C31A -65.9(4) . . . . ? Ga1A Ru1A Ga3A C31A 40.3(3) . . . . ? Ga2A Ru1A Ga3A C31A 132.6(3) . . . . ? C1A Ru1A Ga3A C32A -25.1(3) . . . . ? C2A Ru1A Ga3A C32A -61.1(3) . . . . ? C3A Ru1A Ga3A C32A -72.0(3) . . . . ? C5A Ru1A Ga3A C32A 5.6(3) . . . . ? C4A Ru1A Ga3A C32A -3.1(4) . . . . ? Ga1A Ru1A Ga3A C32A 103.1(2) . . . . ? Ga2A Ru1A Ga3A C32A -164.6(2) . . . . ? C3A Ru1A C1A C2A 37.3(3) . . . . ? C5A Ru1A C1A C2A 117.6(4) . . . . ? C4A Ru1A C1A C2A 79.7(3) . . . . ? Ga1A Ru1A C1A C2A 155.6(2) . . . . ? Ga2A Ru1A C1A C2A -18.8(4) . . . . ? Ga3A Ru1A C1A C2A -111.6(3) . . . . ? C2A Ru1A C1A C5A -117.6(4) . . . . ? C3A Ru1A C1A C5A -80.3(3) . . . . ? C4A Ru1A C1A C5A -37.9(3) . . . . ? Ga1A Ru1A C1A C5A 38.0(3) . . . . ? Ga2A Ru1A C1A C5A -136.3(2) . . . . ? Ga3A Ru1A C1A C5A 130.9(2) . . . . ? C2A Ru1A C1A C6A 121.0(7) . . . . ? C3A Ru1A C1A C6A 158.3(6) . . . . ? C5A Ru1A C1A C6A -121.4(7) . . . . ? C4A Ru1A C1A C6A -159.3(6) . . . . ? Ga1A Ru1A C1A C6A -83.4(6) . . . . ? Ga2A Ru1A C1A C6A 102.2(5) . . . . ? Ga3A Ru1A C1A C6A 9.4(5) . . . . ? C5A C1A C2A C3A 0.8(5) . . . . ? C6A C1A C2A C3A 169.4(5) . . . . ? Ru1A C1A C2A C3A -61.8(3) . . . . ? C5A C1A C2A C7A -171.6(5) . . . . ? C6A C1A C2A C7A -3.0(8) . . . . ? Ru1A C1A C2A C7A 125.7(5) . . . . ? C5A C1A C2A Ru1A 62.6(3) . . . . ? C6A C1A C2A Ru1A -128.7(5) . . . . ? C1A Ru1A C2A C3A 117.7(4) . . . . ? C5A Ru1A C2A C3A 80.3(3) . . . . ? C4A Ru1A C2A C3A 37.5(3) . . . . ? Ga1A Ru1A C2A C3A 57.9(5) . . . . ? Ga2A Ru1A C2A C3A -74.7(3) . . . . ? Ga3A Ru1A C2A C3A -168.7(3) . . . . ? C3A Ru1A C2A C1A -117.7(4) . . . . ? C5A Ru1A C2A C1A -37.5(3) . . . . ? C4A Ru1A C2A C1A -80.2(3) . . . . ? Ga1A Ru1A C2A C1A -59.9(5) . . . . ? Ga2A Ru1A C2A C1A 167.6(3) . . . . ? Ga3A Ru1A C2A C1A 73.6(3) . . . . ? C1A Ru1A C2A C7A -121.9(6) . . . . ? C3A Ru1A C2A C7A 120.3(6) . . . . ? C5A Ru1A C2A C7A -159.4(5) . . . . ? C4A Ru1A C2A C7A 157.9(5) . . . . ? Ga1A Ru1A C2A C7A 178.2(3) . . . . ? Ga2A Ru1A C2A C7A 45.7(5) . . . . ? Ga3A Ru1A C2A C7A -48.4(5) . . . . ? C1A C2A C3A C4A -0.8(5) . . . . ? C7A C2A C3A C4A 171.8(5) . . . . ? Ru1A C2A C3A C4A -62.3(3) . . . . ? C1A C2A C3A C8A -172.0(4) . . . . ? C7A C2A C3A C8A 0.6(8) . . . . ? Ru1A C2A C3A C8A 126.5(5) . . . . ? C1A C2A C3A Ru1A 61.5(3) . . . . ? C7A C2A C3A Ru1A -125.9(5) . . . . ? C1A Ru1A C3A C2A -37.4(3) . . . . ? C5A Ru1A C3A C2A -79.9(3) . . . . ? C4A Ru1A C3A C2A -117.3(4) . . . . ? Ga1A Ru1A C3A C2A -156.3(2) . . . . ? Ga2A Ru1A C3A C2A 110.0(3) . . . . ? Ga3A Ru1A C3A C2A 17.5(4) . . . . ? C1A Ru1A C3A C4A 79.9(3) . . . . ? C2A Ru1A C3A C4A 117.3(4) . . . . ? C5A Ru1A C3A C4A 37.4(3) . . . . ? Ga1A Ru1A C3A C4A -38.9(3) . . . . ? Ga2A Ru1A C3A C4A -132.7(3) . . . . ? Ga3A Ru1A C3A C4A 134.8(2) . . . . ? C1A Ru1A C3A C8A -159.5(5) . . . . ? C2A Ru1A C3A C8A -122.1(6) . . . . ? C5A Ru1A C3A C8A 158.0(5) . . . . ? C4A Ru1A C3A C8A 120.5(6) . . . . ? Ga1A Ru1A C3A C8A 81.6(5) . . . . ? Ga2A Ru1A C3A C8A -12.2(5) . . . . ? Ga3A Ru1A C3A C8A -104.6(5) . . . . ? C2A C3A C4A C5A 0.5(5) . . . . ? C8A C3A C4A C5A 171.9(4) . . . . ? Ru1A C3A C4A C5A -61.6(3) . . . . ? C2A C3A C4A C9A -169.2(4) . . . . ? C8A C3A C4A C9A 2.2(7) . . . . ? Ru1A C3A C4A C9A 128.7(5) . . . . ? C2A C3A C4A Ru1A 62.1(3) . . . . ? C8A C3A C4A Ru1A -126.5(5) . . . . ? C1A Ru1A C4A C3A -80.1(3) . . . . ? C2A Ru1A C4A C3A -37.5(3) . . . . ? C5A Ru1A C4A C3A -117.9(4) . . . . ? Ga1A Ru1A C4A C3A 150.0(2) . . . . ? Ga2A Ru1A C4A C3A 54.5(3) . . . . ? Ga3A Ru1A C4A C3A -105.0(3) . . . . ? C1A Ru1A C4A C5A 37.8(3) . . . . ? C2A Ru1A C4A C5A 80.4(3) . . . . ? C3A Ru1A C4A C5A 117.9(4) . . . . ? Ga1A Ru1A C4A C5A -92.1(3) . . . . ? Ga2A Ru1A C4A C5A 172.4(2) . . . . ? Ga3A Ru1A C4A C5A 12.9(4) . . . . ? C1A Ru1A C4A C9A 158.3(5) . . . . ? C2A Ru1A C4A C9A -159.1(5) . . . . ? C3A Ru1A C4A C9A -121.6(6) . . . . ? C5A Ru1A C4A C9A 120.5(6) . . . . ? Ga1A Ru1A C4A C9A 28.4(5) . . . . ? Ga2A Ru1A C4A C9A -67.1(5) . . . . ? Ga3A Ru1A C4A C9A 133.4(4) . . . . ? C2A C1A C5A C4A -0.5(5) . . . . ? C6A C1A C5A C4A -169.1(4) . . . . ? Ru1A C1A C5A C4A 62.0(3) . . . . ? C2A C1A C5A C10A 170.2(4) . . . . ? C6A C1A C5A C10A 1.6(8) . . . . ? Ru1A C1A C5A C10A -127.3(5) . . . . ? C2A C1A C5A Ru1A -62.5(3) . . . . ? C6A C1A C5A Ru1A 128.9(5) . . . . ? C3A C4A C5A C1A 0.0(5) . . . . ? C9A C4A C5A C1A 169.8(4) . . . . ? Ru1A C4A C5A C1A -61.6(3) . . . . ? C3A C4A C5A C10A -170.8(4) . . . . ? C9A C4A C5A C10A -1.0(7) . . . . ? Ru1A C4A C5A C10A 127.7(5) . . . . ? C3A C4A C5A Ru1A 61.6(3) . . . . ? C9A C4A C5A Ru1A -128.7(4) . . . . ? C2A Ru1A C5A C1A 37.4(3) . . . . ? C3A Ru1A C5A C1A 79.8(3) . . . . ? C4A Ru1A C5A C1A 116.9(4) . . . . ? Ga1A Ru1A C5A C1A -150.8(2) . . . . ? Ga2A Ru1A C5A C1A 101.8(3) . . . . ? Ga3A Ru1A C5A C1A -56.5(3) . . . . ? C1A Ru1A C5A C4A -116.9(4) . . . . ? C2A Ru1A C5A C4A -79.5(3) . . . . ? C3A Ru1A C5A C4A -37.1(3) . . . . ? Ga1A Ru1A C5A C4A 92.2(3) . . . . ? Ga2A Ru1A C5A C4A -15.2(5) . . . . ? Ga3A Ru1A C5A C4A -173.4(2) . . . . ? C1A Ru1A C5A C10A 121.8(6) . . . . ? C2A Ru1A C5A C10A 159.2(5) . . . . ? C3A Ru1A C5A C10A -158.5(5) . . . . ? C4A Ru1A C5A C10A -121.3(6) . . . . ? Ga1A Ru1A C5A C10A -29.1(5) . . . . ? Ga2A Ru1A C5A C10A -136.5(4) . . . . ? Ga3A Ru1A C5A C10A 65.3(5) . . . . ? C12A Ga1A C11A C15A -116.0(5) . . . . ? C13A Ga1A C11A C15A -77.5(3) . . . . ? C14A Ga1A C11A C15A -36.2(3) . . . . ? Ru1A Ga1A C11A C15A 108.9(4) . . . . ? C13A Ga1A C11A C12A 38.5(3) . . . . ? C15A Ga1A C11A C12A 116.0(5) . . . . ? C14A Ga1A C11A C12A 79.8(3) . . . . ? Ru1A Ga1A C11A C12A -135.1(3) . . . . ? C12A Ga1A C11A C16A 118.1(6) . . . . ? C13A Ga1A C11A C16A 156.6(6) . . . . ? C15A Ga1A C11A C16A -125.9(6) . . . . ? C14A Ga1A C11A C16A -162.1(6) . . . . ? Ru1A Ga1A C11A C16A -17.0(7) . . . . ? C15A C11A C12A C13A -0.3(6) . . . . ? C16A C11A C12A C13A 175.0(5) . . . . ? Ga1A C11A C12A C13A -65.3(3) . . . . ? C15A C11A C12A C17A -171.6(5) . . . . ? C16A C11A C12A C17A 3.7(8) . . . . ? Ga1A C11A C12A C17A 123.4(5) . . . . ? C15A C11A C12A Ga1A 65.0(3) . . . . ? C16A C11A C12A Ga1A -119.7(5) . . . . ? C11A Ga1A C12A C13A 114.3(4) . . . . ? C15A Ga1A C12A C13A 77.6(3) . . . . ? C14A Ga1A C12A C13A 36.9(3) . . . . ? Ru1A Ga1A C12A C13A -111.7(4) . . . . ? C13A Ga1A C12A C11A -114.3(4) . . . . ? C15A Ga1A C12A C11A -36.7(3) . . . . ? C14A Ga1A C12A C11A -77.3(3) . . . . ? Ru1A Ga1A C12A C11A 134.0(3) . . . . ? C11A Ga1A C12A C17A -120.5(8) . . . . ? C13A Ga1A C12A C17A 125.3(7) . . . . ? C15A Ga1A C12A C17A -157.2(7) . . . . ? C14A Ga1A C12A C17A 162.2(7) . . . . ? Ru1A Ga1A C12A C17A 13.5(9) . . . . ? C11A C12A C13A C14A -0.1(6) . . . . ? C17A C12A C13A C14A 170.9(5) . . . . ? Ga1A C12A C13A C14A -65.0(4) . . . . ? C11A C12A C13A C18A -176.5(5) . . . . ? C17A C12A C13A C18A -5.5(9) . . . . ? Ga1A C12A C13A C18A 118.7(5) . . . . ? C11A C12A C13A Ga1A 64.9(3) . . . . ? C17A C12A C13A Ga1A -124.2(6) . . . . ? C12A Ga1A C13A C14A 116.4(4) . . . . ? C11A Ga1A C13A C14A 77.2(3) . . . . ? C15A Ga1A C13A C14A 36.3(3) . . . . ? Ru1A Ga1A C13A C14A -107.7(3) . . . . ? C11A Ga1A C13A C12A -39.2(3) . . . . ? C15A Ga1A C13A C12A -80.0(3) . . . . ? C14A Ga1A C13A C12A -116.4(4) . . . . ? Ru1A Ga1A C13A C12A 135.9(3) . . . . ? C12A Ga1A C13A C18A -119.0(8) . . . . ? C11A Ga1A C13A C18A -158.2(7) . . . . ? C15A Ga1A C13A C18A 161.0(7) . . . . ? C14A Ga1A C13A C18A 124.6(8) . . . . ? Ru1A Ga1A C13A C18A 16.9(8) . . . . ? C12A C13A C14A C15A 0.4(6) . . . . ? C18A C13A C14A C15A 176.7(5) . . . . ? Ga1A C13A C14A C15A -62.6(4) . . . . ? C12A C13A C14A C19A -172.7(5) . . . . ? C18A C13A C14A C19A 3.5(9) . . . . ? Ga1A C13A C14A C19A 124.3(5) . . . . ? C12A C13A C14A Ga1A 63.0(4) . . . . ? C18A C13A C14A Ga1A -120.7(6) . . . . ? C12A Ga1A C14A C15A 79.6(3) . . . . ? C11A Ga1A C14A C15A 36.4(3) . . . . ? C13A Ga1A C14A C15A 117.5(4) . . . . ? Ru1A Ga1A C14A C15A -120.7(3) . . . . ? C12A Ga1A C14A C13A -37.9(3) . . . . ? C11A Ga1A C14A C13A -81.1(3) . . . . ? C15A Ga1A C14A C13A -117.5(4) . . . . ? Ru1A Ga1A C14A C13A 121.8(3) . . . . ? C12A Ga1A C14A C19A -159.4(7) . . . . ? C11A Ga1A C14A C19A 157.4(7) . . . . ? C13A Ga1A C14A C19A -121.6(7) . . . . ? C15A Ga1A C14A C19A 121.0(7) . . . . ? Ru1A Ga1A C14A C19A 0.3(7) . . . . ? C12A C11A C15A C14A 0.6(6) . . . . ? C16A C11A C15A C14A -174.5(5) . . . . ? Ga1A C11A C15A C14A 63.7(4) . . . . ? C12A C11A C15A C20A 177.4(5) . . . . ? C16A C11A C15A C20A 2.4(9) . . . . ? Ga1A C11A C15A C20A -119.5(5) . . . . ? C12A C11A C15A Ga1A -63.1(3) . . . . ? C16A C11A C15A Ga1A 121.8(5) . . . . ? C13A C14A C15A C11A -0.6(6) . . . . ? C19A C14A C15A C11A 172.6(5) . . . . ? Ga1A C14A C15A C11A -62.5(4) . . . . ? C13A C14A C15A C20A -177.6(5) . . . . ? C19A C14A C15A C20A -4.4(8) . . . . ? Ga1A C14A C15A C20A 120.6(5) . . . . ? C13A C14A C15A Ga1A 61.9(4) . . . . ? C19A C14A C15A Ga1A -124.9(5) . . . . ? C12A Ga1A C15A C11A 38.7(3) . . . . ? C13A Ga1A C15A C11A 81.1(3) . . . . ? C14A Ga1A C15A C11A 117.9(4) . . . . ? Ru1A Ga1A C15A C11A -134.4(3) . . . . ? C12A Ga1A C15A C14A -79.2(3) . . . . ? C11A Ga1A C15A C14A -117.9(4) . . . . ? C13A Ga1A C15A C14A -36.8(3) . . . . ? Ru1A Ga1A C15A C14A 107.7(3) . . . . ? C12A Ga1A C15A C20A 160.9(6) . . . . ? C11A Ga1A C15A C20A 122.3(7) . . . . ? C13A Ga1A C15A C20A -156.7(6) . . . . ? C14A Ga1A C15A C20A -119.8(7) . . . . ? Ru1A Ga1A C15A C20A -12.2(7) . . . . ? C24A Ga2A C21A C22A 79.8(3) . . . . ? C23A Ga2A C21A C22A 37.4(3) . . . . ? C25A Ga2A C21A C22A 118.0(4) . . . . ? Ru1A Ga2A C21A C22A -114.2(3) . . . . ? C24A Ga2A C21A C25A -38.1(3) . . . . ? C23A Ga2A C21A C25A -80.6(3) . . . . ? C22A Ga2A C21A C25A -118.0(4) . . . . ? Ru1A Ga2A C21A C25A 127.8(3) . . . . ? C24A Ga2A C21A C26A -157.1(5) . . . . ? C23A Ga2A C21A C26A 160.5(5) . . . . ? C25A Ga2A C21A C26A -118.9(6) . . . . ? C22A Ga2A C21A C26A 123.1(6) . . . . ? Ru1A Ga2A C21A C26A 8.9(6) . . . . ? C25A C21A C22A C23A -0.7(5) . . . . ? C26A C21A C22A C23A 176.8(5) . . . . ? Ga2A C21A C22A C23A -61.9(3) . . . . ? C25A C21A C22A C27A -172.9(5) . . . . ? C26A C21A C22A C27A 4.6(8) . . . . ? Ga2A C21A C22A C27A 125.9(5) . . . . ? C25A C21A C22A Ga2A 61.2(3) . . . . ? C26A C21A C22A Ga2A -121.3(5) . . . . ? C24A Ga2A C22A C23A 37.6(3) . . . . ? C25A Ga2A C22A C23A 80.2(3) . . . . ? C21A Ga2A C22A C23A 116.9(4) . . . . ? Ru1A Ga2A C22A C23A -127.4(2) . . . . ? C24A Ga2A C22A C21A -79.3(3) . . . . ? C23A Ga2A C22A C21A -116.9(4) . . . . ? C25A Ga2A C22A C21A -36.7(3) . . . . ? Ru1A Ga2A C22A C21A 115.7(3) . . . . ? C24A Ga2A C22A C27A 157.0(5) . . . . ? C23A Ga2A C22A C27A 119.4(5) . . . . ? C25A Ga2A C22A C27A -160.4(5) . . . . ? C21A Ga2A C22A C27A -123.7(6) . . . . ? Ru1A Ga2A C22A C27A -8.0(5) . . . . ? C21A C22A C23A C24A 0.5(5) . . . . ? C27A C22A C23A C24A 172.9(4) . . . . ? Ga2A C22A C23A C24A -63.1(3) . . . . ? C21A C22A C23A C28A -173.8(4) . . . . ? C27A C22A C23A C28A -1.4(7) . . . . ? Ga2A C22A C23A C28A 122.6(5) . . . . ? C21A C22A C23A Ga2A 63.6(3) . . . . ? C27A C22A C23A Ga2A -124.0(5) . . . . ? C24A Ga2A C23A C22A -117.0(4) . . . . ? C25A Ga2A C23A C22A -78.6(3) . . . . ? C21A Ga2A C23A C22A -37.0(3) . . . . ? Ru1A Ga2A C23A C22A 109.1(3) . . . . ? C25A Ga2A C23A C24A 38.4(3) . . . . ? C22A Ga2A C23A C24A 117.0(4) . . . . ? C21A Ga2A C23A C24A 80.0(3) . . . . ? Ru1A Ga2A C23A C24A -134.0(3) . . . . ? C24A Ga2A C23A C28A 123.3(6) . . . . ? C25A Ga2A C23A C28A 161.7(5) . . . . ? C22A Ga2A C23A C28A -119.7(5) . . . . ? C21A Ga2A C23A C28A -156.7(5) . . . . ? Ru1A Ga2A C23A C28A -10.6(6) . . . . ? C22A C23A C24A C25A -0.2(5) . . . . ? C28A C23A C24A C25A 173.9(5) . . . . ? Ga2A C23A C24A C25A -64.7(3) . . . . ? C22A C23A C24A C29A -178.6(5) . . . . ? C28A C23A C24A C29A -4.6(8) . . . . ? Ga2A C23A C24A C29A 116.8(5) . . . . ? C22A C23A C24A Ga2A 64.5(3) . . . . ? C28A C23A C24A Ga2A -121.4(5) . . . . ? C25A Ga2A C24A C23A -115.4(4) . . . . ? C22A Ga2A C24A C23A -37.0(3) . . . . ? C21A Ga2A C24A C23A -78.2(3) . . . . ? Ru1A Ga2A C24A C23A 121.5(3) . . . . ? C23A Ga2A C24A C25A 115.4(4) . . . . ? C22A Ga2A C24A C25A 78.4(3) . . . . ? C21A Ga2A C24A C25A 37.2(3) . . . . ? Ru1A Ga2A C24A C25A -123.1(3) . . . . ? C23A Ga2A C24A C29A -122.3(6) . . . . ? C25A Ga2A C24A C29A 122.3(6) . . . . ? C22A Ga2A C24A C29A -159.4(6) . . . . ? C21A Ga2A C24A C29A 159.4(6) . . . . ? Ru1A Ga2A C24A C29A -0.8(7) . . . . ? C22A C21A C25A C24A 0.6(6) . . . . ? C26A C21A C25A C24A -177.0(5) . . . . ? Ga2A C21A C25A C24A 62.4(3) . . . . ? C22A C21A C25A C30A 175.0(5) . . . . ? C26A C21A C25A C30A -2.6(8) . . . . ? Ga2A C21A C25A C30A -123.3(5) . . . . ? C22A C21A C25A Ga2A -61.8(3) . . . . ? C26A C21A C25A Ga2A 120.7(5) . . . . ? C23A C24A C25A C21A -0.3(5) . . . . ? C29A C24A C25A C21A 178.2(5) . . . . ? Ga2A C24A C25A C21A -64.5(3) . . . . ? C23A C24A C25A C30A -174.5(5) . . . . ? C29A C24A C25A C30A 4.0(8) . . . . ? Ga2A C24A C25A C30A 121.3(5) . . . . ? C23A C24A C25A Ga2A 64.2(3) . . . . ? C29A C24A C25A Ga2A -117.3(5) . . . . ? C24A Ga2A C25A C21A 116.3(4) . . . . ? C23A Ga2A C25A C21A 78.2(3) . . . . ? C22A Ga2A C25A C21A 36.4(3) . . . . ? Ru1A Ga2A C25A C21A -109.6(3) . . . . ? C23A Ga2A C25A C24A -38.2(3) . . . . ? C22A Ga2A C25A C24A -79.9(3) . . . . ? C21A Ga2A C25A C24A -116.3(4) . . . . ? Ru1A Ga2A C25A C24A 134.1(3) . . . . ? C24A Ga2A C25A C30A -121.9(7) . . . . ? C23A Ga2A C25A C30A -160.1(6) . . . . ? C22A Ga2A C25A C30A 158.2(6) . . . . ? C21A Ga2A C25A C30A 121.8(7) . . . . ? Ru1A Ga2A C25A C30A 12.2(7) . . . . ? C34A Ga3A C31A C35A 37.8(3) . . . . ? C33A Ga3A C31A C35A 80.1(3) . . . . ? C32A Ga3A C31A C35A 116.3(5) . . . . ? Ru1A Ga3A C31A C35A -134.8(3) . . . . ? C34A Ga3A C31A C32A -78.4(3) . . . . ? C35A Ga3A C31A C32A -116.3(5) . . . . ? C33A Ga3A C31A C32A -36.1(3) . . . . ? Ru1A Ga3A C31A C32A 109.0(3) . . . . ? C34A Ga3A C31A C36A 161.5(5) . . . . ? C35A Ga3A C31A C36A 123.7(6) . . . . ? C33A Ga3A C31A C36A -156.2(5) . . . . ? C32A Ga3A C31A C36A -120.1(6) . . . . ? Ru1A Ga3A C31A C36A -11.1(6) . . . . ? C35A C31A C32A C33A -0.8(5) . . . . ? C36A C31A C32A C33A -176.9(4) . . . . ? Ga3A C31A C32A C33A 62.1(3) . . . . ? C35A C31A C32A C37A 174.3(4) . . . . ? C36A C31A C32A C37A -1.8(7) . . . . ? Ga3A C31A C32A C37A -122.8(5) . . . . ? C35A C31A C32A Ga3A -62.9(3) . . . . ? C36A C31A C32A Ga3A 121.0(5) . . . . ? C34A Ga3A C32A C33A -37.7(3) . . . . ? C35A Ga3A C32A C33A -80.2(3) . . . . ? C31A Ga3A C32A C33A -117.7(4) . . . . ? Ru1A Ga3A C32A C33A 118.7(3) . . . . ? C34A Ga3A C32A C31A 80.0(3) . . . . ? C35A Ga3A C32A C31A 37.5(3) . . . . ? C33A Ga3A C32A C31A 117.7(4) . . . . ? Ru1A Ga3A C32A C31A -123.6(3) . . . . ? C34A Ga3A C32A C37A -161.9(6) . . . . ? C35A Ga3A C32A C37A 155.6(6) . . . . ? C33A Ga3A C32A C37A -124.2(6) . . . . ? C31A Ga3A C32A C37A 118.1(6) . . . . ? Ru1A Ga3A C32A C37A -5.5(6) . . . . ? C31A C32A C33A C34A 0.2(5) . . . . ? C37A C32A C33A C34A -174.6(4) . . . . ? Ga3A C32A C33A C34A 62.1(3) . . . . ? C31A C32A C33A C38A 176.0(4) . . . . ? C37A C32A C33A C38A 1.2(8) . . . . ? Ga3A C32A C33A C38A -122.1(5) . . . . ? C31A C32A C33A Ga3A -61.9(3) . . . . ? C37A C32A C33A Ga3A 123.3(5) . . . . ? C34A Ga3A C33A C32A 117.1(4) . . . . ? C35A Ga3A C33A C32A 78.9(3) . . . . ? C31A Ga3A C33A C32A 37.2(3) . . . . ? Ru1A Ga3A C33A C32A -110.2(3) . . . . ? C35A Ga3A C33A C34A -38.2(3) . . . . ? C31A Ga3A C33A C34A -79.9(3) . . . . ? C32A Ga3A C33A C34A -117.1(4) . . . . ? Ru1A Ga3A C33A C34A 132.7(3) . . . . ? C34A Ga3A C33A C38A -118.3(6) . . . . ? C35A Ga3A C33A C38A -156.5(5) . . . . ? C31A Ga3A C33A C38A 161.8(5) . . . . ? C32A Ga3A C33A C38A 124.7(6) . . . . ? Ru1A Ga3A C33A C38A 14.4(6) . . . . ? C32A C33A C34A C35A 0.5(5) . . . . ? C38A C33A C34A C35A -175.4(4) . . . . ? Ga3A C33A C34A C35A 64.6(3) . . . . ? C32A C33A C34A C39A 171.6(4) . . . . ? C38A C33A C34A C39A -4.4(7) . . . . ? Ga3A C33A C34A C39A -124.3(5) . . . . ? C32A C33A C34A Ga3A -64.1(3) . . . . ? C38A C33A C34A Ga3A 119.9(4) . . . . ? C33A Ga3A C34A C35A -115.4(4) . . . . ? C31A Ga3A C34A C35A -37.2(3) . . . . ? C32A Ga3A C34A C35A -79.1(3) . . . . ? Ru1A Ga3A C34A C35A 133.9(3) . . . . ? C35A Ga3A C34A C33A 115.4(4) . . . . ? C31A Ga3A C34A C33A 78.2(3) . . . . ? C32A Ga3A C34A C33A 36.3(3) . . . . ? Ru1A Ga3A C34A C33A -110.7(3) . . . . ? C35A Ga3A C34A C39A -122.9(6) . . . . ? C33A Ga3A C34A C39A 121.7(6) . . . . ? C31A Ga3A C34A C39A -160.1(6) . . . . ? C32A Ga3A C34A C39A 158.1(6) . . . . ? Ru1A Ga3A C34A C39A 11.1(7) . . . . ? C32A C31A C35A C34A 1.1(5) . . . . ? C36A C31A C35A C34A 177.0(5) . . . . ? Ga3A C31A C35A C34A -62.9(3) . . . . ? C32A C31A C35A C40A -175.7(5) . . . . ? C36A C31A C35A C40A 0.1(8) . . . . ? Ga3A C31A C35A C40A 120.3(5) . . . . ? C32A C31A C35A Ga3A 64.0(3) . . . . ? C36A C31A C35A Ga3A -120.1(5) . . . . ? C33A C34A C35A C31A -1.0(5) . . . . ? C39A C34A C35A C31A -171.9(5) . . . . ? Ga3A C34A C35A C31A 64.1(3) . . . . ? C33A C34A C35A C40A 175.8(5) . . . . ? C39A C34A C35A C40A 4.9(8) . . . . ? Ga3A C34A C35A C40A -119.0(5) . . . . ? C33A C34A C35A Ga3A -65.1(3) . . . . ? C39A C34A C35A Ga3A 124.0(5) . . . . ? C34A Ga3A C35A C31A -116.4(5) . . . . ? C33A Ga3A C35A C31A -78.3(3) . . . . ? C32A Ga3A C35A C31A -37.6(3) . . . . ? Ru1A Ga3A C35A C31A 114.1(4) . . . . ? C33A Ga3A C35A C34A 38.1(3) . . . . ? C31A Ga3A C35A C34A 116.4(5) . . . . ? C32A Ga3A C35A C34A 78.8(3) . . . . ? Ru1A Ga3A C35A C34A -129.4(3) . . . . ? C34A Ga3A C35A C40A 120.9(6) . . . . ? C33A Ga3A C35A C40A 159.0(6) . . . . ? C31A Ga3A C35A C40A -122.7(7) . . . . ? C32A Ga3A C35A C40A -160.3(6) . . . . ? Ru1A Ga3A C35A C40A -8.6(7) . . . . ? C59A B1A C41A C46A 153.2(4) . . . . ? C47A B1A C41A C46A -85.4(5) . . . . ? C53A B1A C41A C46A 34.3(6) . . . . ? C59A B1A C41A C42A -31.6(6) . . . . ? C47A B1A C41A C42A 89.7(5) . . . . ? C53A B1A C41A C42A -150.6(4) . . . . ? C46A C41A C42A C43A -0.1(7) . . . . ? B1A C41A C42A C43A -175.6(5) . . . . ? C41A C42A C43A C44A -0.6(8) . . . . ? C42A C43A C44A C45A 0.6(8) . . . . ? C43A C44A C45A C46A 0.1(8) . . . . ? C44A C45A C46A C41A -0.9(8) . . . . ? C42A C41A C46A C45A 0.8(7) . . . . ? B1A C41A C46A C45A 176.3(5) . . . . ? C59A B1A C47A C48A 142.3(4) . . . . ? C53A B1A C47A C48A -97.5(5) . . . . ? C41A B1A C47A C48A 23.0(6) . . . . ? C59A B1A C47A C52A -40.4(6) . . . . ? C53A B1A C47A C52A 79.9(5) . . . . ? C41A B1A C47A C52A -159.6(4) . . . . ? C52A C47A C48A C49A 0.9(6) . . . . ? B1A C47A C48A C49A 178.4(4) . . . . ? C47A C48A C49A C50A -1.1(7) . . . . ? C48A C49A C50A C51A 0.4(7) . . . . ? C49A C50A C51A C52A 0.3(7) . . . . ? C50A C51A C52A C47A -0.4(7) . . . . ? C48A C47A C52A C51A -0.2(7) . . . . ? B1A C47A C52A C51A -177.7(4) . . . . ? C59A B1A C53A C54A 95.6(5) . . . . ? C47A B1A C53A C54A -26.3(6) . . . . ? C41A B1A C53A C54A -145.8(4) . . . . ? C59A B1A C53A C58A -80.6(5) . . . . ? C47A B1A C53A C58A 157.4(4) . . . . ? C41A B1A C53A C58A 38.0(6) . . . . ? C58A C53A C54A C55A 0.7(7) . . . . ? B1A C53A C54A C55A -175.8(4) . . . . ? C53A C54A C55A C56A -0.3(7) . . . . ? C54A C55A C56A C57A -0.3(7) . . . . ? C55A C56A C57A C58A 0.4(7) . . . . ? C56A C57A C58A C53A 0.0(7) . . . . ? C54A C53A C58A C57A -0.5(7) . . . . ? B1A C53A C58A C57A 176.0(4) . . . . ? C47A B1A C59A C60A 152.5(4) . . . . ? C53A B1A C59A C60A 32.0(6) . . . . ? C41A B1A C59A C60A -88.0(5) . . . . ? C47A B1A C59A C64A -31.6(6) . . . . ? C53A B1A C59A C64A -152.1(4) . . . . ? C41A B1A C59A C64A 87.9(5) . . . . ? C64A C59A C60A C61A -0.5(7) . . . . ? B1A C59A C60A C61A 175.7(4) . . . . ? C59A C60A C61A C62A 0.1(7) . . . . ? C60A C61A C62A C63A 0.3(7) . . . . ? C61A C62A C63A C64A -0.3(8) . . . . ? C62A C63A C64A C59A -0.2(8) . . . . ? C60A C59A C64A C63A 0.5(7) . . . . ? B1A C59A C64A C63A -175.7(5) . . . . ? _diffrn_measured_fraction_theta_max 0.932 _diffrn_reflns_theta_full 25.05 _diffrn_measured_fraction_theta_full 0.932 _refine_diff_density_max 1.105 _refine_diff_density_min -0.625 _refine_diff_density_rms 0.104 loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons 1 -0.016 0.000 0.000 915.4 -15.5 2 0.022 0.500 0.500 868.6 -21.4 #=================================================END data_10 _database_code_depnum_ccdc_archive 'CCDC 246347' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C50 H63 Cl3 Ga4 Ru' _chemical_formula_weight 1150.30 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.193(3) _cell_length_b 14.875(3) _cell_length_c 16.451(3) _cell_angle_alpha 88.692(18) _cell_angle_beta 71.07(2) _cell_angle_gamma 87.074(19) _cell_volume 2587.3(10) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 5541 _cell_measurement_theta_min 2.98 _cell_measurement_theta_max 25.05 _exptl_crystal_description plates _exptl_crystal_colour yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.477 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1164 _exptl_absorpt_coefficient_mu 2.527 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.582 _exptl_absorpt_correction_T_max 0.873 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'multiwire proportional' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 19519 _diffrn_reflns_av_R_equivalents 0.0582 _diffrn_reflns_av_sigmaI/netI 0.1267 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.98 _diffrn_reflns_theta_max 25.05 _reflns_number_total 9109 _reflns_number_gt 5541 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker FRAMBO' _computing_cell_refinement 'Bruker FRAMBO' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9109 _refine_ls_number_parameters 468 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1004 _refine_ls_R_factor_gt 0.0518 _refine_ls_wR_factor_ref 0.1171 _refine_ls_wR_factor_gt 0.1037 _refine_ls_goodness_of_fit_ref 0.920 _refine_ls_restrained_S_all 0.920 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.86906(5) 0.76117(4) 0.37225(4) 0.01551(15) Uani 1 1 d . A . Ga1 Ga 1.09217(7) 0.73507(5) 0.31543(5) 0.01845(19) Uani 1 1 d . . . Ga2 Ga 0.83330(7) 0.65620(5) 0.27514(5) 0.0208(2) Uani 1 1 d . . . Ga3 Ga 0.87339(8) 0.88611(5) 0.27729(5) 0.0247(2) Uani 1 1 d . . . Ga4 Ga 1.64562(8) 0.77508(5) -0.22039(5) 0.0219(2) Uani 1 1 d . . . Cl1 Cl 1.83607(19) 0.70812(14) -0.24880(13) 0.0402(5) Uani 1 1 d . B . Cl2 Cl 1.5531(2) 0.71828(14) -0.30495(12) 0.0385(5) Uani 1 1 d . B . Cl3 Cl 1.6902(2) 0.91367(13) -0.26968(13) 0.0472(6) Uani 1 1 d . B . C1 C 0.8505(6) 0.7030(5) 0.4996(4) 0.0209(17) Uani 1 1 d . . . C2 C 0.7357(6) 0.6943(4) 0.4813(4) 0.0187(16) Uani 1 1 d . A . C3 C 0.6840(6) 0.7817(5) 0.4701(4) 0.0218(17) Uani 1 1 d . . . C4 C 0.7676(7) 0.8456(5) 0.4835(4) 0.0218(17) Uani 1 1 d . A . C5 C 0.8701(6) 0.7968(5) 0.4998(4) 0.0200(16) Uani 1 1 d . A . C6 C 0.9233(7) 0.6273(5) 0.5249(5) 0.035(2) Uani 1 1 d . A . H6A H 0.8905 0.6185 0.5873 0.052 Uiso 1 1 calc R . . H6B H 1.0127 0.6413 0.5079 0.052 Uiso 1 1 calc R . . H6C H 0.9146 0.5722 0.4962 0.052 Uiso 1 1 calc R . . C7 C 0.6689(7) 0.6070(5) 0.4892(5) 0.033(2) Uani 1 1 d . . . H7A H 0.6153 0.5984 0.5489 0.049 Uiso 1 1 calc R A . H7B H 0.7317 0.5567 0.4722 0.049 Uiso 1 1 calc R . . H7C H 0.6164 0.6094 0.4517 0.049 Uiso 1 1 calc R . . C8 C 0.5572(7) 0.8020(6) 0.4622(5) 0.039(2) Uani 1 1 d . A . H8A H 0.4943 0.8068 0.5197 0.059 Uiso 1 1 calc R . . H8B H 0.5360 0.7535 0.4307 0.059 Uiso 1 1 calc R . . H8C H 0.5575 0.8590 0.4312 0.059 Uiso 1 1 calc R . . C9 C 0.7403(8) 0.9443(5) 0.4930(5) 0.034(2) Uani 1 1 d . . . H9A H 0.6921 0.9582 0.5530 0.051 Uiso 1 1 calc R A . H9B H 0.6908 0.9647 0.4561 0.051 Uiso 1 1 calc R . . H9C H 0.8199 0.9753 0.4762 0.051 Uiso 1 1 calc R . . C10 C 0.9657(7) 0.8391(5) 0.5310(5) 0.032(2) Uani 1 1 d . . . H10A H 0.9324 0.8450 0.5937 0.048 Uiso 1 1 calc R A . H10B H 0.9833 0.8988 0.5047 0.048 Uiso 1 1 calc R . . H10C H 1.0439 0.8012 0.5151 0.048 Uiso 1 1 calc R . . C11 C 1.2778(6) 0.6889(4) 0.2183(4) 0.0146(15) Uani 1 1 d . . . C12 C 1.2641(6) 0.6346(4) 0.2940(4) 0.0176(16) Uani 1 1 d . . . C13 C 1.2672(6) 0.6909(4) 0.3604(4) 0.0157(15) Uani 1 1 d . . . C14 C 1.2817(6) 0.7819(5) 0.3282(4) 0.0171(16) Uani 1 1 d . . . C15 C 1.2877(6) 0.7799(4) 0.2406(4) 0.0179(16) Uani 1 1 d . . . C16 C 1.2927(7) 0.6570(5) 0.1306(4) 0.0264(18) Uani 1 1 d . . . H16A H 1.3819 0.6403 0.1008 0.040 Uiso 1 1 calc R . . H16B H 1.2644 0.7051 0.0985 0.040 Uiso 1 1 calc R . . H16C H 1.2418 0.6044 0.1345 0.040 Uiso 1 1 calc R . . C17 C 1.2553(7) 0.5340(4) 0.2984(5) 0.0276(18) Uani 1 1 d . . . H17A H 1.3398 0.5054 0.2874 0.041 Uiso 1 1 calc R . . H17B H 1.2196 0.5145 0.2550 0.041 Uiso 1 1 calc R . . H17C H 1.2006 0.5164 0.3556 0.041 Uiso 1 1 calc R . . C18 C 1.2663(7) 0.6615(5) 0.4480(4) 0.0283(19) Uani 1 1 d . . . H18A H 1.3532 0.6473 0.4471 0.042 Uiso 1 1 calc R . . H18B H 1.2165 0.6078 0.4653 0.042 Uiso 1 1 calc R . . H18C H 1.2286 0.7100 0.4890 0.042 Uiso 1 1 calc R . . C19 C 1.2901(6) 0.8637(4) 0.3759(4) 0.0221(17) Uani 1 1 d . . . H19A H 1.3781 0.8704 0.3727 0.033 Uiso 1 1 calc R . . H19B H 1.2374 0.8578 0.4362 0.033 Uiso 1 1 calc R . . H19C H 1.2603 0.9167 0.3503 0.033 Uiso 1 1 calc R . . C20 C 1.3145(7) 0.8571(4) 0.1776(4) 0.0227(17) Uani 1 1 d . . . H20A H 1.4060 0.8633 0.1534 0.034 Uiso 1 1 calc R . . H20B H 1.2746 0.9128 0.2071 0.034 Uiso 1 1 calc R . . H20C H 1.2802 0.8456 0.1312 0.034 Uiso 1 1 calc R . . C21 C 0.7135(7) 0.6025(4) 0.1989(5) 0.0227(17) Uani 1 1 d . . . C22 C 0.6991(6) 0.5415(4) 0.2700(5) 0.0215(17) Uani 1 1 d . . . C23 C 0.8175(7) 0.5008(5) 0.2618(4) 0.0214(17) Uani 1 1 d . . . C24 C 0.9084(7) 0.5345(5) 0.1867(4) 0.0231(17) Uani 1 1 d . . . C25 C 0.8439(7) 0.5965(5) 0.1476(4) 0.0239(18) Uani 1 1 d . . . C26 C 0.6056(8) 0.6530(5) 0.1795(6) 0.042(2) Uani 1 1 d . . . H26A H 0.5705 0.6146 0.1461 0.064 Uiso 1 1 calc R . . H26B H 0.6365 0.7075 0.1464 0.064 Uiso 1 1 calc R . . H26C H 0.5397 0.6697 0.2335 0.064 Uiso 1 1 calc R . . C27 C 0.5757(7) 0.5155(5) 0.3307(5) 0.037(2) Uani 1 1 d . . . H27A H 0.5460 0.4642 0.3075 0.055 Uiso 1 1 calc R . . H27B H 0.5140 0.5664 0.3384 0.055 Uiso 1 1 calc R . . H27C H 0.5855 0.4987 0.3862 0.055 Uiso 1 1 calc R . . C28 C 0.8460(8) 0.4273(5) 0.3188(5) 0.040(2) Uani 1 1 d . . . H28A H 0.8315 0.3686 0.2988 0.060 Uiso 1 1 calc R . . H28B H 0.7906 0.4366 0.3781 0.060 Uiso 1 1 calc R . . H28C H 0.9345 0.4292 0.3165 0.060 Uiso 1 1 calc R . . C29 C 1.0435(7) 0.4994(6) 0.1504(5) 0.047(2) Uani 1 1 d . . . H29A H 1.0479 0.4472 0.1140 0.070 Uiso 1 1 calc R . . H29B H 1.0754 0.4814 0.1975 0.070 Uiso 1 1 calc R . . H29C H 1.0952 0.5466 0.1159 0.070 Uiso 1 1 calc R . . C30 C 0.8981(9) 0.6410(6) 0.0610(5) 0.050(3) Uani 1 1 d . . . H30A H 0.8917 0.6013 0.0161 0.075 Uiso 1 1 calc R . . H30B H 0.9872 0.6527 0.0510 0.075 Uiso 1 1 calc R . . H30C H 0.8509 0.6980 0.0597 0.075 Uiso 1 1 calc R . . C31A C 0.9528(5) 1.0132(4) 0.1938(4) 0.027(3) Uiso 0.578(9) 1 d PG A 1 C32A C 0.8425(6) 1.0456(4) 0.2583(4) 0.031(4) Uiso 0.578(9) 1 d PG A 1 C33A C 0.7390(5) 1.0009(4) 0.2499(4) 0.020(4) Uiso 0.578(9) 1 d PG A 1 C34A C 0.7852(5) 0.9408(4) 0.1802(4) 0.017(3) Uiso 0.578(9) 1 d PG A 1 C35A C 0.9174(6) 0.9485(4) 0.1456(4) 0.027(3) Uiso 0.578(9) 1 d PG A 1 C36A C 1.0845(8) 1.0425(6) 0.1791(6) 0.059(5) Uiso 0.578(9) 1 d PG A 1 H36A H 1.0991 1.0966 0.1427 0.089 Uiso 0.578(9) 1 calc PR A 1 H36B H 1.1456 0.9942 0.1506 0.089 Uiso 0.578(9) 1 calc PR A 1 H36C H 1.0949 1.0559 0.2344 0.089 Uiso 0.578(9) 1 calc PR A 1 C37A C 0.8365(9) 1.1154(6) 0.3241(6) 0.049(4) Uiso 0.578(9) 1 d PG A 1 H37A H 0.8235 1.1753 0.3015 0.073 Uiso 0.578(9) 1 calc PR A 1 H37B H 0.9159 1.1125 0.3373 0.073 Uiso 0.578(9) 1 calc PR A 1 H37C H 0.7661 1.1039 0.3766 0.073 Uiso 0.578(9) 1 calc PR A 1 C38A C 0.6035(8) 1.0147(6) 0.3052(6) 0.047(4) Uiso 0.578(9) 1 d PG A 1 H38A H 0.5642 1.0657 0.2830 0.070 Uiso 0.578(9) 1 calc PR A 1 H38B H 0.5997 1.0272 0.3643 0.070 Uiso 0.578(9) 1 calc PR A 1 H38C H 0.5580 0.9602 0.3046 0.070 Uiso 0.578(9) 1 calc PR A 1 C39A C 0.7075(8) 0.8796(6) 0.1486(6) 0.044(4) Uiso 0.578(9) 1 d PG A 1 H39A H 0.6754 0.9119 0.1069 0.065 Uiso 0.578(9) 1 calc PR A 1 H39B H 0.6363 0.8598 0.1972 0.065 Uiso 0.578(9) 1 calc PR A 1 H39C H 0.7602 0.8270 0.1211 0.065 Uiso 0.578(9) 1 calc PR A 1 C40A C 1.0048(9) 0.8968(6) 0.0707(5) 0.045(4) Uiso 0.578(9) 1 d PG A 1 H40A H 1.0156 0.9317 0.0177 0.068 Uiso 0.578(9) 1 calc PR A 1 H40B H 0.9689 0.8391 0.0663 0.068 Uiso 0.578(9) 1 calc PR A 1 H40C H 1.0872 0.8859 0.0790 0.068 Uiso 0.578(9) 1 calc PR A 1 C31B C 0.8616(7) 0.9335(5) 0.1448(5) 0.020(4) Uiso 0.422(9) 1 d PG A 2 C32B C 0.9439(7) 0.9886(5) 0.1697(5) 0.023(4) Uiso 0.422(9) 1 d PG A 2 C33B C 0.8705(7) 1.0374(5) 0.2440(5) 0.010(4) Uiso 0.422(9) 1 d PG A 2 C34B C 0.7430(7) 1.0126(5) 0.2649(5) 0.028(6) Uiso 0.422(9) 1 d PG A 2 C35B C 0.7374(7) 0.9484(5) 0.2037(5) 0.014(4) Uiso 0.422(9) 1 d PG A 2 C36B C 0.8995(11) 0.8703(8) 0.0691(7) 0.046(6) Uiso 0.422(9) 1 d PG A 2 H36D H 0.8885 0.9018 0.0188 0.069 Uiso 0.422(9) 1 calc PR A 2 H36E H 0.8462 0.8182 0.0829 0.069 Uiso 0.422(9) 1 calc PR A 2 H36F H 0.9883 0.8500 0.0564 0.069 Uiso 0.422(9) 1 calc PR A 2 C37B C 1.0845(10) 0.9942(8) 0.1251(8) 0.047(6) Uiso 0.422(9) 1 d PG A 2 H37D H 1.0998 1.0414 0.0809 0.070 Uiso 0.422(9) 1 calc PR A 2 H37E H 1.1194 0.9362 0.0983 0.070 Uiso 0.422(9) 1 calc PR A 2 H37F H 1.1256 1.0085 0.1673 0.070 Uiso 0.422(9) 1 calc PR A 2 C38B C 0.9196(11) 1.1041(8) 0.2921(7) 0.033(5) Uiso 0.422(9) 1 d PG A 2 H38D H 0.9111 1.1649 0.2699 0.049 Uiso 0.422(9) 1 calc PR A 2 H38E H 1.0088 1.0889 0.2843 0.049 Uiso 0.422(9) 1 calc PR A 2 H38F H 0.8706 1.1016 0.3534 0.049 Uiso 0.422(9) 1 calc PR A 2 C39B C 0.6326(10) 1.0482(8) 0.3393(7) 0.040(5) Uiso 0.422(9) 1 d PG A 2 H39D H 0.5921 1.1008 0.3203 0.060 Uiso 0.422(9) 1 calc PR A 2 H39E H 0.6630 1.0656 0.3860 0.060 Uiso 0.422(9) 1 calc PR A 2 H39F H 0.5712 1.0013 0.3598 0.060 Uiso 0.422(9) 1 calc PR A 2 C40B C 0.6202(10) 0.9037(7) 0.2015(7) 0.025(4) Uiso 0.422(9) 1 d PG A 2 H40D H 0.5783 0.9410 0.1679 0.037 Uiso 0.422(9) 1 calc PR A 2 H40E H 0.5623 0.8968 0.2602 0.037 Uiso 0.422(9) 1 calc PR A 2 H40F H 0.6440 0.8443 0.1749 0.037 Uiso 0.422(9) 1 calc PR A 2 C41 C 1.5458(7) 0.7688(5) -0.0929(4) 0.0231(17) Uani 1 1 d . B 2 C42 C 1.5121(7) 0.6727(4) -0.0866(4) 0.0248(18) Uani 1 1 d . B 2 C43 C 1.3923(7) 0.6694(5) -0.0910(4) 0.0260(18) Uani 1 1 d . B 2 C44 C 1.3416(7) 0.7606(5) -0.0932(4) 0.0260(18) Uani 1 1 d . B 2 C45 C 1.4300(7) 0.8201(5) -0.0892(4) 0.0227(17) Uani 1 1 d . B 2 C46 C 1.6265(7) 0.8013(5) -0.0407(5) 0.0315(19) Uani 1 1 d . B 2 H46A H 1.5787 0.7978 0.0208 0.047 Uiso 1 1 calc R B 2 H46B H 1.6480 0.8638 -0.0564 0.047 Uiso 1 1 calc R B 2 H46C H 1.7042 0.7632 -0.0530 0.047 Uiso 1 1 calc R B 2 C47 C 1.5986(8) 0.5940(5) -0.0768(5) 0.037(2) Uani 1 1 d . B 2 C48 C 1.3209(8) 0.5863(5) -0.0920(5) 0.041(2) Uani 1 1 d . B 2 C49 C 1.2139(7) 0.7823(6) -0.1049(6) 0.046(2) Uani 1 1 d . B 2 C50 C 1.4142(8) 0.9222(5) -0.0809(5) 0.036(2) Uani 1 1 d . B 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0127(3) 0.0177(3) 0.0172(3) 0.0005(2) -0.0061(2) -0.0022(2) Ga1 0.0127(4) 0.0224(4) 0.0209(4) 0.0010(4) -0.0063(3) -0.0023(3) Ga2 0.0205(5) 0.0253(5) 0.0179(4) -0.0015(4) -0.0071(4) -0.0085(4) Ga3 0.0249(5) 0.0239(5) 0.0253(5) 0.0065(4) -0.0090(4) 0.0020(4) Ga4 0.0291(5) 0.0176(4) 0.0196(4) 0.0018(4) -0.0086(4) -0.0021(4) Cl1 0.0283(12) 0.0480(14) 0.0387(12) 0.0086(10) -0.0044(10) 0.0040(10) Cl2 0.0422(13) 0.0532(14) 0.0207(10) -0.0061(10) -0.0090(10) -0.0142(10) Cl3 0.0766(17) 0.0216(11) 0.0325(12) 0.0053(9) -0.0024(12) -0.0067(11) C1 0.024(4) 0.029(4) 0.010(4) 0.001(3) -0.005(3) -0.003(3) C2 0.026(4) 0.017(4) 0.013(4) -0.003(3) -0.006(3) -0.005(3) C3 0.018(4) 0.027(4) 0.017(4) -0.009(3) -0.002(3) 0.003(3) C4 0.025(4) 0.024(4) 0.018(4) -0.006(3) -0.009(3) -0.003(3) C5 0.016(4) 0.032(4) 0.011(4) -0.001(3) -0.002(3) -0.011(3) C6 0.025(5) 0.045(5) 0.023(4) 0.016(4) 0.004(4) 0.006(4) C7 0.042(5) 0.027(5) 0.024(4) -0.001(4) -0.002(4) -0.014(4) C8 0.021(5) 0.062(6) 0.036(5) -0.006(4) -0.011(4) -0.001(4) C9 0.050(6) 0.026(5) 0.026(4) -0.008(4) -0.013(4) 0.003(4) C10 0.027(5) 0.051(5) 0.021(4) -0.005(4) -0.011(4) -0.013(4) C11 0.012(4) 0.015(4) 0.018(4) 0.000(3) -0.008(3) 0.004(3) C12 0.006(3) 0.017(4) 0.028(4) 0.000(3) -0.004(3) 0.005(3) C13 0.011(4) 0.018(4) 0.020(4) 0.007(3) -0.009(3) -0.001(3) C14 0.004(3) 0.026(4) 0.024(4) 0.005(3) -0.007(3) -0.007(3) C15 0.011(4) 0.022(4) 0.020(4) 0.004(3) -0.004(3) -0.003(3) C16 0.022(4) 0.027(4) 0.032(4) 0.001(4) -0.011(4) 0.002(3) C17 0.035(5) 0.022(4) 0.030(4) 0.002(4) -0.016(4) -0.002(4) C18 0.025(4) 0.033(5) 0.028(4) 0.007(4) -0.010(4) -0.002(4) C19 0.024(4) 0.021(4) 0.024(4) 0.001(3) -0.012(3) -0.006(3) C20 0.024(4) 0.022(4) 0.026(4) 0.008(3) -0.014(4) -0.004(3) C21 0.034(5) 0.015(4) 0.030(4) -0.002(3) -0.025(4) -0.003(3) C22 0.018(4) 0.016(4) 0.032(4) -0.008(3) -0.008(3) -0.005(3) C23 0.024(4) 0.021(4) 0.017(4) -0.007(3) -0.003(3) -0.002(3) C24 0.018(4) 0.031(4) 0.019(4) -0.011(3) -0.004(3) -0.002(3) C25 0.036(5) 0.019(4) 0.020(4) -0.005(3) -0.013(4) -0.008(3) C26 0.062(6) 0.024(5) 0.060(6) -0.016(4) -0.046(5) 0.003(4) C27 0.033(5) 0.029(5) 0.037(5) -0.013(4) 0.007(4) -0.011(4) C28 0.059(6) 0.029(5) 0.036(5) -0.005(4) -0.023(5) 0.011(4) C29 0.025(5) 0.070(7) 0.043(5) -0.022(5) -0.007(4) 0.005(5) C30 0.075(7) 0.043(6) 0.030(5) 0.002(4) -0.010(5) -0.027(5) C41 0.035(5) 0.016(4) 0.021(4) 0.001(3) -0.013(4) -0.002(3) C42 0.038(5) 0.014(4) 0.018(4) 0.000(3) -0.003(4) 0.000(3) C43 0.036(5) 0.031(5) 0.008(4) 0.001(3) -0.003(3) -0.008(4) C44 0.030(5) 0.033(5) 0.011(4) 0.005(3) -0.001(3) 0.001(4) C45 0.033(5) 0.024(4) 0.009(4) 0.001(3) -0.006(3) 0.005(3) C46 0.036(5) 0.036(5) 0.024(4) 0.004(4) -0.012(4) -0.006(4) C47 0.042(5) 0.020(4) 0.041(5) 0.010(4) -0.004(4) 0.010(4) C48 0.053(6) 0.033(5) 0.034(5) -0.008(4) -0.008(4) -0.025(4) C49 0.016(4) 0.071(7) 0.049(6) 0.009(5) -0.008(4) -0.002(4) C50 0.057(6) 0.013(4) 0.039(5) 0.001(4) -0.020(5) 0.007(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 C5 2.180(6) . ? Ru1 C2 2.183(6) . ? Ru1 C3 2.183(7) . ? Ru1 C4 2.198(7) . ? Ru1 C1 2.200(6) . ? Ru1 Ga1 2.3799(11) . ? Ru1 Ga3 2.3925(10) . ? Ru1 Ga2 2.3964(10) . ? Ga1 C11 2.257(7) . ? Ga1 C15 2.261(6) . ? Ga1 C12 2.313(6) . ? Ga1 C14 2.340(6) . ? Ga1 C13 2.367(6) . ? Ga2 C25 2.263(7) . ? Ga2 C21 2.293(6) . ? Ga2 C24 2.296(7) . ? Ga2 C23 2.347(7) . ? Ga2 C22 2.350(6) . ? Ga3 C35A 2.249(6) . ? Ga3 C34A 2.251(6) . ? Ga3 C32B 2.274(7) . ? Ga3 C33B 2.305(8) . ? Ga3 C31B 2.317(7) . ? Ga3 C31A 2.348(6) . ? Ga3 C33A 2.350(6) . ? Ga3 C34B 2.368(8) . ? Ga3 C35B 2.375(7) . ? Ga3 C32A 2.408(6) . ? Ga4 C41 2.034(7) . ? Ga4 Cl2 2.191(2) . ? Ga4 Cl1 2.216(2) . ? Ga4 Cl3 2.219(2) . ? C1 C5 1.423(9) . ? C1 C2 1.424(9) . ? C1 C6 1.486(9) . ? C2 C3 1.428(9) . ? C2 C7 1.514(9) . ? C3 C4 1.436(9) . ? C3 C8 1.482(9) . ? C4 C5 1.422(9) . ? C4 C9 1.486(9) . ? C5 C10 1.499(9) . ? C11 C15 1.428(9) . ? C11 C12 1.439(8) . ? C11 C16 1.484(9) . ? C12 C13 1.403(9) . ? C12 C17 1.504(9) . ? C13 C14 1.439(9) . ? C13 C18 1.493(9) . ? C14 C15 1.423(9) . ? C14 C19 1.486(9) . ? C15 C20 1.504(8) . ? C21 C25 1.429(10) . ? C21 C22 1.436(9) . ? C21 C26 1.506(10) . ? C22 C23 1.395(9) . ? C22 C27 1.482(9) . ? C23 C24 1.422(9) . ? C23 C28 1.513(9) . ? C24 C25 1.411(9) . ? C24 C29 1.504(10) . ? C25 C30 1.508(10) . ? C31A C35A 1.412(3) . ? C31A C32A 1.412(3) . ? C31A C36A 1.501(4) . ? C32A C33A 1.412(3) . ? C32A C37A 1.501(4) . ? C33A C34A 1.412(3) . ? C33A C38A 1.501(4) . ? C34A C35A 1.412(3) . ? C34A C39A 1.501(4) . ? C35A C40A 1.501(4) . ? C31B C35B 1.422(4) . ? C31B C32B 1.422(4) . ? C31B C36B 1.512(4) . ? C32B C33B 1.422(4) . ? C32B C37B 1.512(4) . ? C33B C34B 1.422(4) . ? C33B C38B 1.512(4) . ? C34B C35B 1.422(4) . ? C34B C39B 1.512(4) . ? C35B C40B 1.512(4) . ? C41 C45 1.454(10) . ? C41 C42 1.489(9) . ? C41 C46 1.534(9) . ? C42 C43 1.368(10) . ? C42 C47 1.521(10) . ? C43 C44 1.448(10) . ? C43 C48 1.510(10) . ? C44 C45 1.379(10) . ? C44 C49 1.520(10) . ? C45 C50 1.525(10) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C5 Ru1 C2 63.2(2) . . ? C5 Ru1 C3 64.0(2) . . ? C2 Ru1 C3 38.2(2) . . ? C5 Ru1 C4 37.9(2) . . ? C2 Ru1 C4 63.3(3) . . ? C3 Ru1 C4 38.3(2) . . ? C5 Ru1 C1 37.9(2) . . ? C2 Ru1 C1 37.9(2) . . ? C3 Ru1 C1 64.2(3) . . ? C4 Ru1 C1 63.6(3) . . ? C5 Ru1 Ga1 94.47(18) . . ? C2 Ru1 Ga1 128.07(18) . . ? C3 Ru1 Ga1 157.58(18) . . ? C4 Ru1 Ga1 125.92(18) . . ? C1 Ru1 Ga1 95.34(18) . . ? C5 Ru1 Ga3 114.89(19) . . ? C2 Ru1 Ga3 139.47(18) . . ? C3 Ru1 Ga3 102.27(18) . . ? C4 Ru1 Ga3 90.53(18) . . ? C1 Ru1 Ga3 152.25(19) . . ? Ga1 Ru1 Ga3 92.12(4) . . ? C5 Ru1 Ga2 150.98(18) . . ? C2 Ru1 Ga2 90.69(17) . . ? C3 Ru1 Ga2 103.98(18) . . ? C4 Ru1 Ga2 141.59(18) . . ? C1 Ru1 Ga2 113.31(18) . . ? Ga1 Ru1 Ga2 92.17(4) . . ? Ga3 Ru1 Ga2 93.01(4) . . ? C11 Ga1 C15 36.9(2) . . ? C11 Ga1 C12 36.7(2) . . ? C15 Ga1 C12 60.6(2) . . ? C11 Ga1 C14 60.4(2) . . ? C15 Ga1 C14 36.0(2) . . ? C12 Ga1 C14 59.5(2) . . ? C11 Ga1 C13 59.7(2) . . ? C15 Ga1 C13 59.7(2) . . ? C12 Ga1 C13 34.9(2) . . ? C14 Ga1 C13 35.6(2) . . ? C11 Ga1 Ru1 156.49(16) . . ? C15 Ga1 Ru1 151.62(17) . . ? C12 Ga1 Ru1 147.68(16) . . ? C14 Ga1 Ru1 141.98(18) . . ? C13 Ga1 Ru1 140.48(16) . . ? C25 Ga2 C21 36.6(2) . . ? C25 Ga2 C24 36.1(2) . . ? C21 Ga2 C24 60.4(3) . . ? C25 Ga2 C23 59.3(2) . . ? C21 Ga2 C23 59.1(2) . . ? C24 Ga2 C23 35.6(2) . . ? C25 Ga2 C22 59.8(2) . . ? C21 Ga2 C22 36.0(2) . . ? C24 Ga2 C22 59.2(2) . . ? C23 Ga2 C22 34.5(2) . . ? C25 Ga2 Ru1 157.76(17) . . ? C21 Ga2 Ru1 151.81(19) . . ? C24 Ga2 Ru1 147.79(17) . . ? C23 Ga2 Ru1 139.90(17) . . ? C22 Ga2 Ru1 141.51(18) . . ? C35A Ga3 C34A 36.57(11) . . ? C35A Ga3 C32B 21.4(2) . . ? C34A Ga3 C32B 49.7(2) . . ? C35A Ga3 C33B 52.9(2) . . ? C34A Ga3 C33B 58.3(2) . . ? C32B Ga3 C33B 36.18(13) . . ? C35A Ga3 C31B 17.0(2) . . ? C34A Ga3 C31B 21.8(2) . . ? C32B Ga3 C31B 36.07(13) . . ? C33B Ga3 C31B 59.7(2) . . ? C35A Ga3 C31A 35.68(10) . . ? C34A Ga3 C31A 59.52(16) . . ? C32B Ga3 C31A 14.3(2) . . ? C33B Ga3 C31A 26.6(2) . . ? C31B Ga3 C31A 49.4(2) . . ? C35A Ga3 C33A 59.50(16) . . ? C34A Ga3 C33A 35.65(10) . . ? C32B Ga3 C33A 58.0(2) . . ? C33B Ga3 C33A 39.4(2) . . ? C31B Ga3 C33A 52.6(2) . . ? C31A Ga3 C33A 58.18(16) . . ? C35A Ga3 C34B 63.9(2) . . ? C34A Ga3 C34B 43.1(2) . . ? C32B Ga3 C34B 59.4(2) . . ? C33B Ga3 C34B 35.40(13) . . ? C31B Ga3 C34B 58.8(2) . . ? C31A Ga3 C34B 57.2(2) . . ? C33A Ga3 C34B 7.8(2) . . ? C35A Ga3 C35B 49.2(2) . . ? C34A Ga3 C35B 13.5(2) . . ? C32B Ga3 C35B 59.3(2) . . ? C33B Ga3 C35B 58.9(2) . . ? C31B Ga3 C35B 35.26(12) . . ? C31A Ga3 C35B 66.7(2) . . ? C33A Ga3 C35B 27.1(2) . . ? C34B Ga3 C35B 34.90(12) . . ? C35A Ga3 Ru1 152.48(15) . . ? C34A Ga3 Ru1 142.03(14) . . ? C32B Ga3 Ru1 161.42(19) . . ? C33B Ga3 Ru1 153.69(18) . . ? C31B Ga3 Ru1 146.30(19) . . ? C31A Ga3 Ru1 157.61(15) . . ? C33A Ga3 Ru1 140.53(14) . . ? C34B Ga3 Ru1 138.92(18) . . ? C35B Ga3 Ru1 135.68(17) . . ? C35A Ga3 C32A 58.62(16) . . ? C34A Ga3 C32A 58.60(16) . . ? C32B Ga3 C32A 43.4(2) . . ? C33B Ga3 C32A 8.0(2) . . ? C31B Ga3 C32A 63.3(2) . . ? C31A Ga3 C32A 34.50(10) . . ? C33A Ga3 C32A 34.49(10) . . ? C34B Ga3 C32A 29.4(2) . . ? C35B Ga3 C32A 56.9(2) . . ? Ru1 Ga3 C32A 148.77(15) . . ? C41 Ga4 Cl2 114.7(2) . . ? C41 Ga4 Cl1 111.5(2) . . ? Cl2 Ga4 Cl1 108.24(9) . . ? C41 Ga4 Cl3 114.0(2) . . ? Cl2 Ga4 Cl3 105.06(9) . . ? Cl1 Ga4 Cl3 102.35(9) . . ? C5 C1 C2 106.8(6) . . ? C5 C1 C6 128.0(6) . . ? C2 C1 C6 124.7(6) . . ? C5 C1 Ru1 70.3(4) . . ? C2 C1 Ru1 70.4(4) . . ? C6 C1 Ru1 130.4(5) . . ? C1 C2 C3 109.4(6) . . ? C1 C2 C7 124.0(6) . . ? C3 C2 C7 125.7(6) . . ? C1 C2 Ru1 71.7(4) . . ? C3 C2 Ru1 70.9(4) . . ? C7 C2 Ru1 132.3(5) . . ? C2 C3 C4 106.8(6) . . ? C2 C3 C8 125.8(7) . . ? C4 C3 C8 126.5(7) . . ? C2 C3 Ru1 70.9(4) . . ? C4 C3 Ru1 71.4(4) . . ? C8 C3 Ru1 131.1(5) . . ? C5 C4 C3 107.9(6) . . ? C5 C4 C9 126.0(6) . . ? C3 C4 C9 125.4(7) . . ? C5 C4 Ru1 70.4(4) . . ? C3 C4 Ru1 70.3(4) . . ? C9 C4 Ru1 132.3(5) . . ? C4 C5 C1 109.0(6) . . ? C4 C5 C10 123.8(7) . . ? C1 C5 C10 125.9(6) . . ? C4 C5 Ru1 71.7(4) . . ? C1 C5 Ru1 71.8(4) . . ? C10 C5 Ru1 132.8(5) . . ? C15 C11 C12 107.3(6) . . ? C15 C11 C16 125.3(6) . . ? C12 C11 C16 127.1(6) . . ? C15 C11 Ga1 71.7(4) . . ? C12 C11 Ga1 73.8(4) . . ? C16 C11 Ga1 124.6(5) . . ? C13 C12 C11 108.3(5) . . ? C13 C12 C17 126.5(6) . . ? C11 C12 C17 125.1(6) . . ? C13 C12 Ga1 74.7(4) . . ? C11 C12 Ga1 69.5(3) . . ? C17 C12 Ga1 124.0(4) . . ? C12 C13 C14 108.6(5) . . ? C12 C13 C18 126.1(6) . . ? C14 C13 C18 125.1(6) . . ? C12 C13 Ga1 70.5(3) . . ? C14 C13 Ga1 71.1(3) . . ? C18 C13 Ga1 127.9(5) . . ? C15 C14 C13 107.2(6) . . ? C15 C14 C19 125.4(6) . . ? C13 C14 C19 127.3(6) . . ? C15 C14 Ga1 69.0(3) . . ? C13 C14 Ga1 73.2(3) . . ? C19 C14 Ga1 123.4(5) . . ? C14 C15 C11 108.5(5) . . ? C14 C15 C20 126.8(6) . . ? C11 C15 C20 124.3(6) . . ? C14 C15 Ga1 75.0(4) . . ? C11 C15 Ga1 71.4(4) . . ? C20 C15 Ga1 124.6(4) . . ? C25 C21 C22 106.9(6) . . ? C25 C21 C26 128.2(7) . . ? C22 C21 C26 124.5(7) . . ? C25 C21 Ga2 70.6(4) . . ? C22 C21 Ga2 74.2(4) . . ? C26 C21 Ga2 126.0(5) . . ? C23 C22 C21 108.0(6) . . ? C23 C22 C27 126.8(7) . . ? C21 C22 C27 124.3(7) . . ? C23 C22 Ga2 72.6(4) . . ? C21 C22 Ga2 69.8(4) . . ? C27 C22 Ga2 131.7(5) . . ? C22 C23 C24 109.3(6) . . ? C22 C23 C28 126.4(6) . . ? C24 C23 C28 124.2(7) . . ? C22 C23 Ga2 72.8(4) . . ? C24 C23 Ga2 70.2(4) . . ? C28 C23 Ga2 126.6(5) . . ? C25 C24 C23 107.3(6) . . ? C25 C24 C29 127.1(7) . . ? C23 C24 C29 125.1(7) . . ? C25 C24 Ga2 70.7(4) . . ? C23 C24 Ga2 74.1(4) . . ? C29 C24 Ga2 127.2(5) . . ? C24 C25 C21 108.6(6) . . ? C24 C25 C30 126.3(7) . . ? C21 C25 C30 124.7(7) . . ? C24 C25 Ga2 73.3(4) . . ? C21 C25 Ga2 72.9(4) . . ? C30 C25 Ga2 125.4(5) . . ? C35A C31A C32A 108.0 . . ? C35A C31A C36A 126.0 . . ? C32A C31A C36A 126.0 . . ? C35A C31A Ga3 68.34(19) . . ? C32A C31A Ga3 75.09(19) . . ? C36A C31A Ga3 122.20(18) . . ? C31A C32A C33A 108.0 . . ? C31A C32A C37A 126.0 . . ? C33A C32A C37A 126.0 . . ? C31A C32A Ga3 70.41(19) . . ? C33A C32A Ga3 70.50(18) . . ? C37A C32A Ga3 124.70(18) . . ? C32A C33A C34A 108.0 . . ? C32A C33A C38A 126.0 . . ? C34A C33A C38A 126.0 . . ? C32A C33A Ga3 75.01(19) . . ? C34A C33A Ga3 68.33(19) . . ? C38A C33A Ga3 122.30(18) . . ? C35A C34A C33A 108.0 . . ? C35A C34A C39A 126.0 . . ? C33A C34A C39A 126.0 . . ? C35A C34A Ga3 71.7(2) . . ? C33A C34A Ga3 76.0(2) . . ? C39A C34A Ga3 118.23(19) . . ? C31A C35A C34A 108.0 . . ? C31A C35A C40A 126.0 . . ? C34A C35A C40A 126.0 . . ? C31A C35A Ga3 76.0(2) . . ? C34A C35A Ga3 71.78(19) . . ? C40A C35A Ga3 118.17(19) . . ? C35B C31B C32B 108.0 . . ? C35B C31B C36B 126.0 . . ? C32B C31B C36B 126.0 . . ? C35B C31B Ga3 74.6(2) . . ? C32B C31B Ga3 70.3(2) . . ? C36B C31B Ga3 120.9(2) . . ? C33B C32B C31B 108.0 . . ? C33B C32B C37B 126.0 . . ? C31B C32B C37B 126.0 . . ? C33B C32B Ga3 73.1(3) . . ? C31B C32B Ga3 73.6(2) . . ? C37B C32B Ga3 119.1(2) . . ? C32B C33B C34B 108.0 . . ? C32B C33B C38B 126.0 . . ? C34B C33B C38B 126.0 . . ? C32B C33B Ga3 70.7(2) . . ? C34B C33B Ga3 74.7(2) . . ? C38B C33B Ga3 120.4(2) . . ? C35B C34B C33B 108.0 . . ? C35B C34B C39B 126.0 . . ? C33B C34B C39B 126.0 . . ? C35B C34B Ga3 72.8(2) . . ? C33B C34B Ga3 69.9(2) . . ? C39B C34B Ga3 122.9(2) . . ? C34B C35B C31B 108.0 . . ? C34B C35B C40B 126.0 . . ? C31B C35B C40B 126.0 . . ? C34B C35B Ga3 72.3(2) . . ? C31B C35B Ga3 70.2(2) . . ? C40B C35B Ga3 123.2(2) . . ? C45 C41 C42 105.1(6) . . ? C45 C41 C46 118.7(6) . . ? C42 C41 C46 119.4(6) . . ? C45 C41 Ga4 101.7(4) . . ? C42 C41 Ga4 99.4(5) . . ? C46 C41 Ga4 109.5(5) . . ? C43 C42 C41 108.1(6) . . ? C43 C42 C47 127.5(7) . . ? C41 C42 C47 124.4(7) . . ? C42 C43 C44 108.6(7) . . ? C42 C43 C48 127.2(7) . . ? C44 C43 C48 124.2(7) . . ? C45 C44 C43 109.2(7) . . ? C45 C44 C49 127.8(7) . . ? C43 C44 C49 122.9(7) . . ? C44 C45 C41 108.3(6) . . ? C44 C45 C50 127.9(7) . . ? C41 C45 C50 123.8(7) . . ? 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 C5 Ru1 Ga1 C11 170.4(4) . . . . ? C2 Ru1 Ga1 C11 111.3(5) . . . . ? C3 Ru1 Ga1 C11 155.3(6) . . . . ? C4 Ru1 Ga1 C11 -166.6(4) . . . . ? C1 Ru1 Ga1 C11 132.4(4) . . . . ? Ga3 Ru1 Ga1 C11 -74.4(4) . . . . ? Ga2 Ru1 Ga1 C11 18.7(4) . . . . ? C5 Ru1 Ga1 C15 -97.6(4) . . . . ? C2 Ru1 Ga1 C15 -156.7(4) . . . . ? C3 Ru1 Ga1 C15 -112.7(6) . . . . ? C4 Ru1 Ga1 C15 -74.6(4) . . . . ? C1 Ru1 Ga1 C15 -135.6(4) . . . . ? Ga3 Ru1 Ga1 C15 17.6(4) . . . . ? Ga2 Ru1 Ga1 C15 110.7(4) . . . . ? C5 Ru1 Ga1 C12 87.7(4) . . . . ? C2 Ru1 Ga1 C12 28.6(4) . . . . ? C3 Ru1 Ga1 C12 72.6(6) . . . . ? C4 Ru1 Ga1 C12 110.7(4) . . . . ? C1 Ru1 Ga1 C12 49.7(4) . . . . ? Ga3 Ru1 Ga1 C12 -157.1(3) . . . . ? Ga2 Ru1 Ga1 C12 -64.0(3) . . . . ? C5 Ru1 Ga1 C14 -31.0(3) . . . . ? C2 Ru1 Ga1 C14 -90.1(3) . . . . ? C3 Ru1 Ga1 C14 -46.1(6) . . . . ? C4 Ru1 Ga1 C14 -8.0(3) . . . . ? C1 Ru1 Ga1 C14 -69.0(3) . . . . ? Ga3 Ru1 Ga1 C14 84.2(3) . . . . ? Ga2 Ru1 Ga1 C14 177.3(3) . . . . ? C5 Ru1 Ga1 C13 27.5(3) . . . . ? C2 Ru1 Ga1 C13 -31.7(3) . . . . ? C3 Ru1 Ga1 C13 12.3(6) . . . . ? C4 Ru1 Ga1 C13 50.4(3) . . . . ? C1 Ru1 Ga1 C13 -10.6(3) . . . . ? Ga3 Ru1 Ga1 C13 142.6(3) . . . . ? Ga2 Ru1 Ga1 C13 -124.3(3) . . . . ? C5 Ru1 Ga2 C25 -164.6(6) . . . . ? C2 Ru1 Ga2 C25 170.5(5) . . . . ? C3 Ru1 Ga2 C25 134.4(5) . . . . ? C4 Ru1 Ga2 C25 125.6(6) . . . . ? C1 Ru1 Ga2 C25 -158.1(6) . . . . ? Ga1 Ru1 Ga2 C25 -61.3(5) . . . . ? Ga3 Ru1 Ga2 C25 30.9(5) . . . . ? C5 Ru1 Ga2 C21 101.4(5) . . . . ? C2 Ru1 Ga2 C21 76.5(4) . . . . ? C3 Ru1 Ga2 C21 40.3(4) . . . . ? C4 Ru1 Ga2 C21 31.5(5) . . . . ? C1 Ru1 Ga2 C21 107.9(4) . . . . ? Ga1 Ru1 Ga2 C21 -155.4(4) . . . . ? Ga3 Ru1 Ga2 C21 -63.1(4) . . . . ? C5 Ru1 Ga2 C24 -81.8(5) . . . . ? C2 Ru1 Ga2 C24 -106.7(4) . . . . ? C3 Ru1 Ga2 C24 -142.8(4) . . . . ? C4 Ru1 Ga2 C24 -151.6(4) . . . . ? C1 Ru1 Ga2 C24 -75.3(4) . . . . ? Ga1 Ru1 Ga2 C24 21.5(3) . . . . ? Ga3 Ru1 Ga2 C24 113.7(3) . . . . ? C5 Ru1 Ga2 C23 -20.6(5) . . . . ? C2 Ru1 Ga2 C23 -45.5(3) . . . . ? C3 Ru1 Ga2 C23 -81.7(3) . . . . ? C4 Ru1 Ga2 C23 -90.4(4) . . . . ? C1 Ru1 Ga2 C23 -14.1(3) . . . . ? Ga1 Ru1 Ga2 C23 82.7(3) . . . . ? Ga3 Ru1 Ga2 C23 174.9(3) . . . . ? C5 Ru1 Ga2 C22 35.3(5) . . . . ? C2 Ru1 Ga2 C22 10.4(3) . . . . ? C3 Ru1 Ga2 C22 -25.8(3) . . . . ? C4 Ru1 Ga2 C22 -34.6(4) . . . . ? C1 Ru1 Ga2 C22 41.8(3) . . . . ? Ga1 Ru1 Ga2 C22 138.5(3) . . . . ? Ga3 Ru1 Ga2 C22 -129.2(3) . . . . ? C5 Ru1 Ga3 C35A 154.9(4) . . . . ? C2 Ru1 Ga3 C35A -127.9(4) . . . . ? C3 Ru1 Ga3 C35A -138.3(4) . . . . ? C4 Ru1 Ga3 C35A -175.0(4) . . . . ? C1 Ru1 Ga3 C35A 164.7(5) . . . . ? Ga1 Ru1 Ga3 C35A 59.0(3) . . . . ? Ga2 Ru1 Ga3 C35A -33.3(3) . . . . ? C5 Ru1 Ga3 C34A -136.6(3) . . . . ? C2 Ru1 Ga3 C34A -59.4(4) . . . . ? C3 Ru1 Ga3 C34A -69.8(3) . . . . ? C4 Ru1 Ga3 C34A -106.5(3) . . . . ? C1 Ru1 Ga3 C34A -126.8(5) . . . . ? Ga1 Ru1 Ga3 C34A 127.5(3) . . . . ? Ga2 Ru1 Ga3 C34A 35.2(3) . . . . ? C5 Ru1 Ga3 C32B 102.8(7) . . . . ? C2 Ru1 Ga3 C32B 180.0(7) . . . . ? C3 Ru1 Ga3 C32B 169.5(6) . . . . ? C4 Ru1 Ga3 C32B 132.8(6) . . . . ? C1 Ru1 Ga3 C32B 112.5(7) . . . . ? Ga1 Ru1 Ga3 C32B 6.8(6) . . . . ? Ga2 Ru1 Ga3 C32B -85.4(6) . . . . ? C5 Ru1 Ga3 C33B -4.7(5) . . . . ? C2 Ru1 Ga3 C33B 72.5(5) . . . . ? C3 Ru1 Ga3 C33B 62.0(5) . . . . ? C4 Ru1 Ga3 C33B 25.3(5) . . . . ? C1 Ru1 Ga3 C33B 5.0(6) . . . . ? Ga1 Ru1 Ga3 C33B -100.7(4) . . . . ? Ga2 Ru1 Ga3 C33B 167.1(4) . . . . ? C5 Ru1 Ga3 C31B -173.6(4) . . . . ? C2 Ru1 Ga3 C31B -96.4(4) . . . . ? C3 Ru1 Ga3 C31B -106.8(4) . . . . ? C4 Ru1 Ga3 C31B -143.5(4) . . . . ? C1 Ru1 Ga3 C31B -163.8(5) . . . . ? Ga1 Ru1 Ga3 C31B 90.5(3) . . . . ? Ga2 Ru1 Ga3 C31B -1.8(3) . . . . ? C5 Ru1 Ga3 C31A 62.4(5) . . . . ? C2 Ru1 Ga3 C31A 139.6(5) . . . . ? C3 Ru1 Ga3 C31A 129.2(5) . . . . ? C4 Ru1 Ga3 C31A 92.4(4) . . . . ? C1 Ru1 Ga3 C31A 72.1(6) . . . . ? Ga1 Ru1 Ga3 C31A -33.5(4) . . . . ? Ga2 Ru1 Ga3 C31A -125.8(4) . . . . ? C5 Ru1 Ga3 C33A -78.0(3) . . . . ? C2 Ru1 Ga3 C33A -0.8(4) . . . . ? C3 Ru1 Ga3 C33A -11.2(3) . . . . ? C4 Ru1 Ga3 C33A -47.9(3) . . . . ? C1 Ru1 Ga3 C33A -68.2(5) . . . . ? Ga1 Ru1 Ga3 C33A -173.9(2) . . . . ? Ga2 Ru1 Ga3 C33A 93.8(2) . . . . ? C5 Ru1 Ga3 C34B -66.1(3) . . . . ? C2 Ru1 Ga3 C34B 11.1(4) . . . . ? C3 Ru1 Ga3 C34B 0.6(3) . . . . ? C4 Ru1 Ga3 C34B -36.1(3) . . . . ? C1 Ru1 Ga3 C34B -56.4(5) . . . . ? Ga1 Ru1 Ga3 C34B -162.1(3) . . . . ? Ga2 Ru1 Ga3 C34B 105.6(3) . . . . ? C5 Ru1 Ga3 C35B -118.4(3) . . . . ? C2 Ru1 Ga3 C35B -41.2(4) . . . . ? C3 Ru1 Ga3 C35B -51.6(3) . . . . ? C4 Ru1 Ga3 C35B -88.4(3) . . . . ? C1 Ru1 Ga3 C35B -108.7(5) . . . . ? Ga1 Ru1 Ga3 C35B 145.7(3) . . . . ? Ga2 Ru1 Ga3 C35B 53.4(3) . . . . ? C5 Ru1 Ga3 C32A -17.9(3) . . . . ? C2 Ru1 Ga3 C32A 59.3(4) . . . . ? C3 Ru1 Ga3 C32A 48.9(3) . . . . ? C4 Ru1 Ga3 C32A 12.2(3) . . . . ? C1 Ru1 Ga3 C32A -8.1(5) . . . . ? Ga1 Ru1 Ga3 C32A -113.8(3) . . . . ? Ga2 Ru1 Ga3 C32A 153.9(3) . . . . ? C2 Ru1 C1 C5 -117.0(6) . . . . ? C3 Ru1 C1 C5 -80.1(4) . . . . ? C4 Ru1 C1 C5 -37.3(4) . . . . ? Ga1 Ru1 C1 C5 90.4(4) . . . . ? Ga3 Ru1 C1 C5 -14.5(6) . . . . ? Ga2 Ru1 C1 C5 -174.9(3) . . . . ? C5 Ru1 C1 C2 117.0(6) . . . . ? C3 Ru1 C1 C2 36.9(4) . . . . ? C4 Ru1 C1 C2 79.7(4) . . . . ? Ga1 Ru1 C1 C2 -152.6(4) . . . . ? Ga3 Ru1 C1 C2 102.5(5) . . . . ? Ga2 Ru1 C1 C2 -57.9(4) . . . . ? C5 Ru1 C1 C6 -123.6(8) . . . . ? C2 Ru1 C1 C6 119.4(8) . . . . ? C3 Ru1 C1 C6 156.3(7) . . . . ? C4 Ru1 C1 C6 -160.9(7) . . . . ? Ga1 Ru1 C1 C6 -33.2(7) . . . . ? Ga3 Ru1 C1 C6 -138.1(5) . . . . ? Ga2 Ru1 C1 C6 61.5(7) . . . . ? C5 C1 C2 C3 0.0(8) . . . . ? C6 C1 C2 C3 172.7(6) . . . . ? Ru1 C1 C2 C3 -61.2(5) . . . . ? C5 C1 C2 C7 -169.6(6) . . . . ? C6 C1 C2 C7 3.1(11) . . . . ? Ru1 C1 C2 C7 129.2(7) . . . . ? C5 C1 C2 Ru1 61.2(4) . . . . ? C6 C1 C2 Ru1 -126.1(7) . . . . ? C5 Ru1 C2 C1 -37.8(4) . . . . ? C3 Ru1 C2 C1 -119.0(6) . . . . ? C4 Ru1 C2 C1 -80.5(4) . . . . ? Ga1 Ru1 C2 C1 35.6(5) . . . . ? Ga3 Ru1 C2 C1 -135.6(4) . . . . ? Ga2 Ru1 C2 C1 128.9(4) . . . . ? C5 Ru1 C2 C3 81.2(4) . . . . ? C4 Ru1 C2 C3 38.5(4) . . . . ? C1 Ru1 C2 C3 119.0(6) . . . . ? Ga1 Ru1 C2 C3 154.6(3) . . . . ? Ga3 Ru1 C2 C3 -16.6(5) . . . . ? Ga2 Ru1 C2 C3 -112.1(4) . . . . ? C5 Ru1 C2 C7 -157.5(8) . . . . ? C3 Ru1 C2 C7 121.3(8) . . . . ? C4 Ru1 C2 C7 159.8(8) . . . . ? C1 Ru1 C2 C7 -119.7(9) . . . . ? Ga1 Ru1 C2 C7 -84.0(7) . . . . ? Ga3 Ru1 C2 C7 104.7(7) . . . . ? Ga2 Ru1 C2 C7 9.3(7) . . . . ? C1 C2 C3 C4 -1.1(8) . . . . ? C7 C2 C3 C4 168.2(6) . . . . ? Ru1 C2 C3 C4 -62.8(5) . . . . ? C1 C2 C3 C8 -170.9(7) . . . . ? C7 C2 C3 C8 -1.5(11) . . . . ? Ru1 C2 C3 C8 127.4(7) . . . . ? C1 C2 C3 Ru1 61.7(5) . . . . ? C7 C2 C3 Ru1 -128.9(7) . . . . ? C5 Ru1 C3 C2 -79.1(4) . . . . ? C4 Ru1 C3 C2 -116.1(5) . . . . ? C1 Ru1 C3 C2 -36.7(4) . . . . ? Ga1 Ru1 C3 C2 -62.2(7) . . . . ? Ga3 Ru1 C3 C2 169.0(3) . . . . ? Ga2 Ru1 C3 C2 72.7(4) . . . . ? C5 Ru1 C3 C4 37.0(4) . . . . ? C2 Ru1 C3 C4 116.1(5) . . . . ? C1 Ru1 C3 C4 79.4(4) . . . . ? Ga1 Ru1 C3 C4 53.9(7) . . . . ? Ga3 Ru1 C3 C4 -74.9(4) . . . . ? Ga2 Ru1 C3 C4 -171.2(3) . . . . ? C5 Ru1 C3 C8 159.7(8) . . . . ? C2 Ru1 C3 C8 -121.2(9) . . . . ? C4 Ru1 C3 C8 122.7(9) . . . . ? C1 Ru1 C3 C8 -157.9(8) . . . . ? Ga1 Ru1 C3 C8 176.6(5) . . . . ? Ga3 Ru1 C3 C8 47.8(7) . . . . ? Ga2 Ru1 C3 C8 -48.5(7) . . . . ? C2 C3 C4 C5 1.9(7) . . . . ? C8 C3 C4 C5 171.5(7) . . . . ? Ru1 C3 C4 C5 -60.6(5) . . . . ? C2 C3 C4 C9 -169.0(6) . . . . ? C8 C3 C4 C9 0.7(11) . . . . ? Ru1 C3 C4 C9 128.5(7) . . . . ? C2 C3 C4 Ru1 62.5(5) . . . . ? C8 C3 C4 Ru1 -127.9(7) . . . . ? C2 Ru1 C4 C5 79.9(4) . . . . ? C3 Ru1 C4 C5 118.3(6) . . . . ? C1 Ru1 C4 C5 37.3(4) . . . . ? Ga1 Ru1 C4 C5 -39.3(4) . . . . ? Ga3 Ru1 C4 C5 -132.3(4) . . . . ? Ga2 Ru1 C4 C5 132.2(3) . . . . ? C5 Ru1 C4 C3 -118.3(6) . . . . ? C2 Ru1 C4 C3 -38.4(4) . . . . ? C1 Ru1 C4 C3 -81.0(4) . . . . ? Ga1 Ru1 C4 C3 -157.6(3) . . . . ? Ga3 Ru1 C4 C3 109.4(4) . . . . ? Ga2 Ru1 C4 C3 13.8(5) . . . . ? C5 Ru1 C4 C9 121.3(9) . . . . ? C2 Ru1 C4 C9 -158.8(8) . . . . ? C3 Ru1 C4 C9 -120.4(8) . . . . ? C1 Ru1 C4 C9 158.5(8) . . . . ? Ga1 Ru1 C4 C9 81.9(7) . . . . ? Ga3 Ru1 C4 C9 -11.1(7) . . . . ? Ga2 Ru1 C4 C9 -106.6(7) . . . . ? C3 C4 C5 C1 -1.9(8) . . . . ? C9 C4 C5 C1 168.9(7) . . . . ? Ru1 C4 C5 C1 -62.5(5) . . . . ? C3 C4 C5 C10 -169.6(6) . . . . ? C9 C4 C5 C10 1.2(11) . . . . ? Ru1 C4 C5 C10 129.8(6) . . . . ? C3 C4 C5 Ru1 60.6(5) . . . . ? C9 C4 C5 Ru1 -128.6(7) . . . . ? C2 C1 C5 C4 1.2(8) . . . . ? C6 C1 C5 C4 -171.2(7) . . . . ? Ru1 C1 C5 C4 62.5(5) . . . . ? C2 C1 C5 C10 168.6(6) . . . . ? C6 C1 C5 C10 -3.8(11) . . . . ? Ru1 C1 C5 C10 -130.2(7) . . . . ? C2 C1 C5 Ru1 -61.3(5) . . . . ? C6 C1 C5 Ru1 126.4(7) . . . . ? C2 Ru1 C5 C4 -80.2(4) . . . . ? C3 Ru1 C5 C4 -37.4(4) . . . . ? C1 Ru1 C5 C4 -118.0(6) . . . . ? Ga1 Ru1 C5 C4 149.0(4) . . . . ? Ga3 Ru1 C5 C4 54.6(4) . . . . ? Ga2 Ru1 C5 C4 -108.3(5) . . . . ? C2 Ru1 C5 C1 37.8(4) . . . . ? C3 Ru1 C5 C1 80.7(4) . . . . ? C4 Ru1 C5 C1 118.0(6) . . . . ? Ga1 Ru1 C5 C1 -93.0(4) . . . . ? Ga3 Ru1 C5 C1 172.6(3) . . . . ? Ga2 Ru1 C5 C1 9.7(6) . . . . ? C2 Ru1 C5 C10 160.4(8) . . . . ? C3 Ru1 C5 C10 -156.8(8) . . . . ? C4 Ru1 C5 C10 -119.5(9) . . . . ? C1 Ru1 C5 C10 122.5(9) . . . . ? Ga1 Ru1 C5 C10 29.6(7) . . . . ? Ga3 Ru1 C5 C10 -64.9(7) . . . . ? Ga2 Ru1 C5 C10 132.2(6) . . . . ? C12 Ga1 C11 C15 -115.0(5) . . . . ? C14 Ga1 C11 C15 -37.4(3) . . . . ? C13 Ga1 C11 C15 -78.7(4) . . . . ? Ru1 Ga1 C11 C15 127.6(4) . . . . ? C15 Ga1 C11 C12 115.0(5) . . . . ? C14 Ga1 C11 C12 77.6(4) . . . . ? C13 Ga1 C11 C12 36.2(3) . . . . ? Ru1 Ga1 C11 C12 -117.4(4) . . . . ? C15 Ga1 C11 C16 -120.8(7) . . . . ? C12 Ga1 C11 C16 124.3(7) . . . . ? C14 Ga1 C11 C16 -158.2(6) . . . . ? C13 Ga1 C11 C16 160.5(6) . . . . ? Ru1 Ga1 C11 C16 6.9(8) . . . . ? C15 C11 C12 C13 -0.7(7) . . . . ? C16 C11 C12 C13 173.4(6) . . . . ? Ga1 C11 C12 C13 -65.1(5) . . . . ? C15 C11 C12 C17 -177.7(6) . . . . ? C16 C11 C12 C17 -3.6(10) . . . . ? Ga1 C11 C12 C17 117.9(6) . . . . ? C15 C11 C12 Ga1 64.4(4) . . . . ? C16 C11 C12 Ga1 -121.5(7) . . . . ? C11 Ga1 C12 C13 116.7(5) . . . . ? C15 Ga1 C12 C13 78.1(4) . . . . ? C14 Ga1 C12 C13 36.4(3) . . . . ? Ru1 Ga1 C12 C13 -104.8(4) . . . . ? C15 Ga1 C12 C11 -38.6(4) . . . . ? C14 Ga1 C12 C11 -80.3(4) . . . . ? C13 Ga1 C12 C11 -116.7(5) . . . . ? Ru1 Ga1 C12 C11 138.5(3) . . . . ? C11 Ga1 C12 C17 -119.2(7) . . . . ? C15 Ga1 C12 C17 -157.8(6) . . . . ? C14 Ga1 C12 C17 160.4(6) . . . . ? C13 Ga1 C12 C17 124.1(7) . . . . ? Ru1 Ga1 C12 C17 19.3(8) . . . . ? C11 C12 C13 C14 0.6(7) . . . . ? C17 C12 C13 C14 177.5(6) . . . . ? Ga1 C12 C13 C14 -61.2(4) . . . . ? C11 C12 C13 C18 -174.9(6) . . . . ? C17 C12 C13 C18 2.0(11) . . . . ? Ga1 C12 C13 C18 123.3(6) . . . . ? C11 C12 C13 Ga1 61.8(4) . . . . ? C17 C12 C13 Ga1 -121.3(7) . . . . ? C11 Ga1 C13 C12 -38.2(4) . . . . ? C15 Ga1 C13 C12 -81.1(4) . . . . ? C14 Ga1 C13 C12 -118.6(6) . . . . ? Ru1 Ga1 C13 C12 125.7(3) . . . . ? C11 Ga1 C13 C14 80.5(4) . . . . ? C15 Ga1 C13 C14 37.5(4) . . . . ? C12 Ga1 C13 C14 118.6(6) . . . . ? Ru1 Ga1 C13 C14 -115.7(4) . . . . ? C11 Ga1 C13 C18 -159.3(7) . . . . ? C15 Ga1 C13 C18 157.7(7) . . . . ? C12 Ga1 C13 C18 -121.1(7) . . . . ? C14 Ga1 C13 C18 120.2(8) . . . . ? Ru1 Ga1 C13 C18 4.5(7) . . . . ? C12 C13 C14 C15 -0.2(7) . . . . ? C18 C13 C14 C15 175.4(6) . . . . ? Ga1 C13 C14 C15 -61.0(4) . . . . ? C12 C13 C14 C19 -179.7(6) . . . . ? C18 C13 C14 C19 -4.1(10) . . . . ? Ga1 C13 C14 C19 119.5(7) . . . . ? C12 C13 C14 Ga1 60.8(4) . . . . ? C18 C13 C14 Ga1 -123.7(6) . . . . ? C11 Ga1 C14 C15 38.3(4) . . . . ? C12 Ga1 C14 C15 81.0(4) . . . . ? C13 Ga1 C14 C15 116.6(6) . . . . ? Ru1 Ga1 C14 C15 -132.0(4) . . . . ? C11 Ga1 C14 C13 -78.2(4) . . . . ? C15 Ga1 C14 C13 -116.6(6) . . . . ? C12 Ga1 C14 C13 -35.6(4) . . . . ? Ru1 Ga1 C14 C13 111.4(4) . . . . ? C11 Ga1 C14 C19 157.8(6) . . . . ? C15 Ga1 C14 C19 119.4(7) . . . . ? C12 Ga1 C14 C19 -159.6(6) . . . . ? C13 Ga1 C14 C19 -124.0(7) . . . . ? Ru1 Ga1 C14 C19 -12.6(7) . . . . ? C13 C14 C15 C11 -0.3(7) . . . . ? C19 C14 C15 C11 179.2(6) . . . . ? Ga1 C14 C15 C11 -64.0(4) . . . . ? C13 C14 C15 C20 -173.9(6) . . . . ? C19 C14 C15 C20 5.6(11) . . . . ? Ga1 C14 C15 C20 122.3(7) . . . . ? C13 C14 C15 Ga1 63.7(4) . . . . ? C19 C14 C15 Ga1 -116.7(6) . . . . ? C12 C11 C15 C14 0.6(7) . . . . ? C16 C11 C15 C14 -173.6(6) . . . . ? Ga1 C11 C15 C14 66.4(5) . . . . ? C12 C11 C15 C20 174.5(6) . . . . ? C16 C11 C15 C20 0.2(10) . . . . ? Ga1 C11 C15 C20 -119.7(6) . . . . ? C12 C11 C15 Ga1 -65.8(4) . . . . ? C16 C11 C15 Ga1 120.0(6) . . . . ? C11 Ga1 C15 C14 -115.9(5) . . . . ? C12 Ga1 C15 C14 -77.5(4) . . . . ? C13 Ga1 C15 C14 -37.1(4) . . . . ? Ru1 Ga1 C15 C14 105.7(4) . . . . ? C12 Ga1 C15 C11 38.4(4) . . . . ? C14 Ga1 C15 C11 115.9(5) . . . . ? C13 Ga1 C15 C11 78.8(4) . . . . ? Ru1 Ga1 C15 C11 -138.3(3) . . . . ? C11 Ga1 C15 C20 119.4(7) . . . . ? C12 Ga1 C15 C20 157.8(6) . . . . ? C14 Ga1 C15 C20 -124.7(8) . . . . ? C13 Ga1 C15 C20 -161.8(7) . . . . ? Ru1 Ga1 C15 C20 -19.0(8) . . . . ? C24 Ga2 C21 C25 -37.4(4) . . . . ? C23 Ga2 C21 C25 -78.9(4) . . . . ? C22 Ga2 C21 C25 -114.8(6) . . . . ? Ru1 Ga2 C21 C25 140.7(4) . . . . ? C25 Ga2 C21 C22 114.8(6) . . . . ? C24 Ga2 C21 C22 77.4(4) . . . . ? C23 Ga2 C21 C22 35.9(4) . . . . ? Ru1 Ga2 C21 C22 -104.5(4) . . . . ? C25 Ga2 C21 C26 -123.7(8) . . . . ? C24 Ga2 C21 C26 -161.1(7) . . . . ? C23 Ga2 C21 C26 157.4(8) . . . . ? C22 Ga2 C21 C26 121.5(9) . . . . ? Ru1 Ga2 C21 C26 17.0(9) . . . . ? C25 C21 C22 C23 0.5(7) . . . . ? C26 C21 C22 C23 173.9(6) . . . . ? Ga2 C21 C22 C23 -63.0(5) . . . . ? C25 C21 C22 C27 -169.2(6) . . . . ? C26 C21 C22 C27 4.2(11) . . . . ? Ga2 C21 C22 C27 127.3(7) . . . . ? C25 C21 C22 Ga2 63.4(4) . . . . ? C26 C21 C22 Ga2 -123.1(7) . . . . ? C25 Ga2 C22 C23 78.6(4) . . . . ? C21 Ga2 C22 C23 117.4(6) . . . . ? C24 Ga2 C22 C23 36.5(4) . . . . ? Ru1 Ga2 C22 C23 -109.9(4) . . . . ? C25 Ga2 C22 C21 -38.7(4) . . . . ? C24 Ga2 C22 C21 -80.8(4) . . . . ? C23 Ga2 C22 C21 -117.4(6) . . . . ? Ru1 Ga2 C22 C21 132.7(4) . . . . ? C25 Ga2 C22 C27 -157.2(8) . . . . ? C21 Ga2 C22 C27 -118.5(9) . . . . ? C24 Ga2 C22 C27 160.7(8) . . . . ? C23 Ga2 C22 C27 124.2(9) . . . . ? Ru1 Ga2 C22 C27 14.3(9) . . . . ? C21 C22 C23 C24 0.1(8) . . . . ? C27 C22 C23 C24 169.4(7) . . . . ? Ga2 C22 C23 C24 -61.1(5) . . . . ? C21 C22 C23 C28 -175.6(6) . . . . ? C27 C22 C23 C28 -6.3(11) . . . . ? Ga2 C22 C23 C28 123.2(7) . . . . ? C21 C22 C23 Ga2 61.2(4) . . . . ? C27 C22 C23 Ga2 -129.5(7) . . . . ? C25 Ga2 C23 C22 -80.3(5) . . . . ? C21 Ga2 C23 C22 -37.5(4) . . . . ? C24 Ga2 C23 C22 -118.6(6) . . . . ? Ru1 Ga2 C23 C22 114.7(4) . . . . ? C25 Ga2 C23 C24 38.3(4) . . . . ? C21 Ga2 C23 C24 81.1(4) . . . . ? C22 Ga2 C23 C24 118.6(6) . . . . ? Ru1 Ga2 C23 C24 -126.7(4) . . . . ? C25 Ga2 C23 C28 156.7(7) . . . . ? C21 Ga2 C23 C28 -160.5(7) . . . . ? C24 Ga2 C23 C28 118.4(8) . . . . ? C22 Ga2 C23 C28 -123.0(8) . . . . ? Ru1 Ga2 C23 C28 -8.3(8) . . . . ? C22 C23 C24 C25 -0.6(8) . . . . ? C28 C23 C24 C25 175.2(6) . . . . ? Ga2 C23 C24 C25 -63.4(5) . . . . ? C22 C23 C24 C29 -172.6(7) . . . . ? C28 C23 C24 C29 3.2(11) . . . . ? Ga2 C23 C24 C29 124.7(7) . . . . ? C22 C23 C24 Ga2 62.8(5) . . . . ? C28 C23 C24 Ga2 -121.4(7) . . . . ? C21 Ga2 C24 C25 37.9(4) . . . . ? C23 Ga2 C24 C25 115.2(6) . . . . ? C22 Ga2 C24 C25 79.8(4) . . . . ? Ru1 Ga2 C24 C25 -140.4(4) . . . . ? C25 Ga2 C24 C23 -115.2(6) . . . . ? C21 Ga2 C24 C23 -77.3(4) . . . . ? C22 Ga2 C24 C23 -35.4(4) . . . . ? Ru1 Ga2 C24 C23 104.4(4) . . . . ? C25 Ga2 C24 C29 122.4(8) . . . . ? C21 Ga2 C24 C29 160.3(7) . . . . ? C23 Ga2 C24 C29 -122.4(8) . . . . ? C22 Ga2 C24 C29 -157.8(7) . . . . ? Ru1 Ga2 C24 C29 -18.0(8) . . . . ? C23 C24 C25 C21 0.9(8) . . . . ? C29 C24 C25 C21 172.6(7) . . . . ? Ga2 C24 C25 C21 -64.8(5) . . . . ? C23 C24 C25 C30 -172.3(7) . . . . ? C29 C24 C25 C30 -0.6(12) . . . . ? Ga2 C24 C25 C30 122.0(7) . . . . ? C23 C24 C25 Ga2 65.7(5) . . . . ? C29 C24 C25 Ga2 -122.6(7) . . . . ? C22 C21 C25 C24 -0.8(7) . . . . ? C26 C21 C25 C24 -173.9(6) . . . . ? Ga2 C21 C25 C24 65.0(5) . . . . ? C22 C21 C25 C30 172.5(6) . . . . ? C26 C21 C25 C30 -0.6(11) . . . . ? Ga2 C21 C25 C30 -121.6(7) . . . . ? C22 C21 C25 Ga2 -65.9(4) . . . . ? C26 C21 C25 Ga2 121.0(7) . . . . ? C21 Ga2 C25 C24 -116.2(5) . . . . ? C23 Ga2 C25 C24 -37.8(4) . . . . ? C22 Ga2 C25 C24 -78.1(4) . . . . ? Ru1 Ga2 C25 C24 116.0(5) . . . . ? C24 Ga2 C25 C21 116.2(5) . . . . ? C23 Ga2 C25 C21 78.4(4) . . . . ? C22 Ga2 C25 C21 38.1(4) . . . . ? Ru1 Ga2 C25 C21 -127.7(5) . . . . ? C21 Ga2 C25 C30 120.8(8) . . . . ? C24 Ga2 C25 C30 -123.0(9) . . . . ? C23 Ga2 C25 C30 -160.8(8) . . . . ? C22 Ga2 C25 C30 158.9(8) . . . . ? Ru1 Ga2 C25 C30 -7.0(11) . . . . ? C34A Ga3 C31A C35A -38.91(8) . . . . ? C32B Ga3 C31A C35A 4.2(10) . . . . ? C33B Ga3 C31A C35A -118.3(5) . . . . ? C31B Ga3 C31A C35A -15.0(3) . . . . ? C33A Ga3 C31A C35A -80.80(12) . . . . ? C34B Ga3 C31A C35A -90.0(2) . . . . ? C35B Ga3 C31A C35A -51.7(2) . . . . ? Ru1 Ga3 C31A C35A 127.7(4) . . . . ? C32A Ga3 C31A C35A -116.74(10) . . . . ? C35A Ga3 C31A C32A 116.74(10) . . . . ? C34A Ga3 C31A C32A 77.83(12) . . . . ? C32B Ga3 C31A C32A 120.9(10) . . . . ? C33B Ga3 C31A C32A -1.5(5) . . . . ? C31B Ga3 C31A C32A 101.7(3) . . . . ? C33A Ga3 C31A C32A 35.93(7) . . . . ? C34B Ga3 C31A C32A 26.7(3) . . . . ? C35B Ga3 C31A C32A 65.0(2) . . . . ? Ru1 Ga3 C31A C32A -115.6(4) . . . . ? C35A Ga3 C31A C36A -119.82(10) . . . . ? C34A Ga3 C31A C36A -158.7 . . . . ? C32B Ga3 C31A C36A -115.6(10) . . . . ? C33B Ga3 C31A C36A 121.9(5) . . . . ? C31B Ga3 C31A C36A -134.8(3) . . . . ? C33A Ga3 C31A C36A 159.4 . . . . ? C34B Ga3 C31A C36A 150.2(3) . . . . ? C35B Ga3 C31A C36A -171.5(2) . . . . ? Ru1 Ga3 C31A C36A 7.9(4) . . . . ? C32A Ga3 C31A C36A 123.45(10) . . . . ? C35A C31A C32A C33A 0.0 . . . . ? C36A C31A C32A C33A 180.0 . . . . ? Ga3 C31A C32A C33A -60.79(19) . . . . ? C35A C31A C32A C37A -180.0 . . . . ? C36A C31A C32A C37A 0.0 . . . . ? Ga3 C31A C32A C37A 119.23(19) . . . . ? C35A C31A C32A Ga3 60.78(19) . . . . ? C36A C31A C32A Ga3 -119.22(19) . . . . ? C35A Ga3 C32A C31A -37.61(8) . . . . ? C34A Ga3 C32A C31A -80.73(13) . . . . ? C32B Ga3 C32A C31A -18.0(3) . . . . ? C33B Ga3 C32A C31A 5.0(17) . . . . ? C31B Ga3 C32A C31A -56.3(2) . . . . ? C33A Ga3 C32A C31A -118.28(11) . . . . ? C34B Ga3 C32A C31A -129.5(4) . . . . ? C35B Ga3 C32A C31A -96.5(2) . . . . ? Ru1 Ga3 C32A C31A 138.5(3) . . . . ? C35A Ga3 C32A C33A 80.68(12) . . . . ? C34A Ga3 C32A C33A 37.56(8) . . . . ? C32B Ga3 C32A C33A 100.3(3) . . . . ? C33B Ga3 C32A C33A 123.3(17) . . . . ? C31B Ga3 C32A C33A 62.0(2) . . . . ? C31A Ga3 C32A C33A 118.28(11) . . . . ? C34B Ga3 C32A C33A -11.3(5) . . . . ? C35B Ga3 C32A C33A 21.7(2) . . . . ? Ru1 Ga3 C32A C33A -103.2(2) . . . . ? C35A Ga3 C32A C37A -158.4 . . . . ? C34A Ga3 C32A C37A 158.4 . . . . ? C32B Ga3 C32A C37A -138.8(3) . . . . ? C33B Ga3 C32A C37A -115.8(17) . . . . ? C31B Ga3 C32A C37A -177.1(2) . . . . ? C31A Ga3 C32A C37A -120.83(11) . . . . ? C33A Ga3 C32A C37A 120.89(11) . . . . ? C34B Ga3 C32A C37A 109.6(5) . . . . ? C35B Ga3 C32A C37A 142.6(2) . . . . ? Ru1 Ga3 C32A C37A 17.7(3) . . . . ? C31A C32A C33A C34A 0.0 . . . . ? C37A C32A C33A C34A 180.0 . . . . ? Ga3 C32A C33A C34A -60.73(19) . . . . ? C31A C32A C33A C38A -180.0 . . . . ? C37A C32A C33A C38A 0.0 . . . . ? Ga3 C32A C33A C38A 119.28(19) . . . . ? C31A C32A C33A Ga3 60.73(19) . . . . ? C37A C32A C33A Ga3 -119.29(19) . . . . ? C35A Ga3 C33A C32A -77.88(12) . . . . ? C34A Ga3 C33A C32A -116.80(11) . . . . ? C32B Ga3 C33A C32A -52.8(2) . . . . ? C33B Ga3 C33A C32A -10.5(4) . . . . ? C31B Ga3 C33A C32A -96.6(2) . . . . ? C31A Ga3 C33A C32A -35.95(7) . . . . ? C34B Ga3 C33A C32A 44.8(17) . . . . ? C35B Ga3 C33A C32A -137.0(5) . . . . ? Ru1 Ga3 C33A C32A 127.4(2) . . . . ? C35A Ga3 C33A C34A 38.91(8) . . . . ? C32B Ga3 C33A C34A 63.9(2) . . . . ? C33B Ga3 C33A C34A 106.3(3) . . . . ? C31B Ga3 C33A C34A 20.2(3) . . . . ? C31A Ga3 C33A C34A 80.85(12) . . . . ? C34B Ga3 C33A C34A 161.6(17) . . . . ? C35B Ga3 C33A C34A -20.2(5) . . . . ? Ru1 Ga3 C33A C34A -115.8(2) . . . . ? C32A Ga3 C33A C34A 116.80(11) . . . . ? C35A Ga3 C33A C38A 158.7 . . . . ? C34A Ga3 C33A C38A 119.80(11) . . . . ? C32B Ga3 C33A C38A -176.2(3) . . . . ? C33B Ga3 C33A C38A -133.9(4) . . . . ? C31B Ga3 C33A C38A 140.0(3) . . . . ? C31A Ga3 C33A C38A -159.4 . . . . ? C34B Ga3 C33A C38A -78.6(17) . . . . ? C35B Ga3 C33A C38A 99.6(5) . . . . ? Ru1 Ga3 C33A C38A 4.0(2) . . . . ? C32A Ga3 C33A C38A -123.40(10) . . . . ? C32A C33A C34A C35A 0.0 . . . . ? C38A C33A C34A C35A 180.0 . . . . ? Ga3 C33A C34A C35A -65.0(2) . . . . ? C32A C33A C34A C39A 180.0 . . . . ? C38A C33A C34A C39A 0.0 . . . . ? Ga3 C33A C34A C39A 114.9(2) . . . . ? C32A C33A C34A Ga3 65.0(2) . . . . ? C38A C33A C34A Ga3 -115.0(2) . . . . ? C32B Ga3 C34A C35A 25.1(3) . . . . ? C33B Ga3 C34A C35A 69.0(3) . . . . ? C31B Ga3 C34A C35A -17.8(6) . . . . ? C31A Ga3 C34A C35A 37.95(7) . . . . ? C33A Ga3 C34A C35A 114.70(9) . . . . ? C34B Ga3 C34A C35A 111.1(3) . . . . ? C35B Ga3 C34A C35A 157.1(10) . . . . ? Ru1 Ga3 C34A C35A -133.8(2) . . . . ? C32A Ga3 C34A C35A 78.39(10) . . . . ? C35A Ga3 C34A C33A -114.70(10) . . . . ? C32B Ga3 C34A C33A -89.6(3) . . . . ? C33B Ga3 C34A C33A -45.7(3) . . . . ? C31B Ga3 C34A C33A -132.5(6) . . . . ? C31A Ga3 C34A C33A -76.75(11) . . . . ? C34B Ga3 C34A C33A -3.6(3) . . . . ? C35B Ga3 C34A C33A 42.4(10) . . . . ? Ru1 Ga3 C34A C33A 111.5(2) . . . . ? C32A Ga3 C34A C33A -36.31(7) . . . . ? C35A Ga3 C34A C39A 121.67(9) . . . . ? C32B Ga3 C34A C39A 146.8(3) . . . . ? C33B Ga3 C34A C39A -169.3(3) . . . . ? C31B Ga3 C34A C39A 103.8(6) . . . . ? C31A Ga3 C34A C39A 159.6 . . . . ? C33A Ga3 C34A C39A -123.63(9) . . . . ? C34B Ga3 C34A C39A -127.2(3) . . . . ? C35B Ga3 C34A C39A -81.2(10) . . . . ? Ru1 Ga3 C34A C39A -12.1(2) . . . . ? C32A Ga3 C34A C39A -159.9 . . . . ? C32A C31A C35A C34A 0.0 . . . . ? C36A C31A C35A C34A 180.0 . . . . ? Ga3 C31A C35A C34A 65.2(2) . . . . ? C32A C31A C35A C40A -180.0 . . . . ? C36A C31A C35A C40A 0.0 . . . . ? Ga3 C31A C35A C40A -114.8(2) . . . . ? C32A C31A C35A Ga3 -65.2(2) . . . . ? C36A C31A C35A Ga3 114.8(2) . . . . ? C33A C34A C35A C31A 0.0 . . . . ? C39A C34A C35A C31A -180.0 . . . . ? Ga3 C34A C35A C31A -68.0(2) . . . . ? C33A C34A C35A C40A 180.0 . . . . ? C39A C34A C35A C40A 0.0 . . . . ? Ga3 C34A C35A C40A 112.0(2) . . . . ? C33A C34A C35A Ga3 68.0(2) . . . . ? C39A C34A C35A Ga3 -112.0(2) . . . . ? C34A Ga3 C35A C31A 114.69(10) . . . . ? C32B Ga3 C35A C31A -2.8(7) . . . . ? C33B Ga3 C35A C31A 29.6(3) . . . . ? C31B Ga3 C35A C31A 137.6(8) . . . . ? C33A Ga3 C35A C31A 76.77(10) . . . . ? C34B Ga3 C35A C31A 69.4(2) . . . . ? C35B Ga3 C35A C31A 107.8(3) . . . . ? Ru1 Ga3 C35A C31A -139.3(3) . . . . ? C32A Ga3 C35A C31A 36.34(6) . . . . ? C32B Ga3 C35A C34A -117.5(7) . . . . ? C33B Ga3 C35A C34A -85.1(3) . . . . ? C31B Ga3 C35A C34A 23.0(9) . . . . ? C31A Ga3 C35A C34A -114.69(10) . . . . ? C33A Ga3 C35A C34A -37.92(6) . . . . ? C34B Ga3 C35A C34A -45.3(2) . . . . ? C35B Ga3 C35A C34A -6.9(3) . . . . ? Ru1 Ga3 C35A C34A 106.0(3) . . . . ? C32A Ga3 C35A C34A -78.35(10) . . . . ? C34A Ga3 C35A C40A -121.70(9) . . . . ? C32B Ga3 C35A C40A 120.8(7) . . . . ? C33B Ga3 C35A C40A 153.2(3) . . . . ? C31B Ga3 C35A C40A -98.8(8) . . . . ? C31A Ga3 C35A C40A 123.61(9) . . . . ? C33A Ga3 C35A C40A -159.6 . . . . ? C34B Ga3 C35A C40A -167.0(2) . . . . ? C35B Ga3 C35A C40A -128.6(3) . . . . ? Ru1 Ga3 C35A C40A -15.7(3) . . . . ? C32A Ga3 C35A C40A 159.9 . . . . ? C35A Ga3 C31B C35B -139.3(8) . . . . ? C34A Ga3 C31B C35B 2.0(6) . . . . ? C32B Ga3 C31B C35B -116.06(13) . . . . ? C33B Ga3 C31B C35B -77.84(14) . . . . ? C31A Ga3 C31B C35B -108.1(3) . . . . ? C33A Ga3 C31B C35B -30.7(3) . . . . ? C34B Ga3 C31B C35B -36.42(8) . . . . ? Ru1 Ga3 C31B C35B 96.5(3) . . . . ? C32A Ga3 C31B C35B -69.7(2) . . . . ? C35A Ga3 C31B C32B -23.2(9) . . . . ? C34A Ga3 C31B C32B 118.1(6) . . . . ? C33B Ga3 C31B C32B 38.22(9) . . . . ? C31A Ga3 C31B C32B 7.9(3) . . . . ? C33A Ga3 C31B C32B 85.3(3) . . . . ? C34B Ga3 C31B C32B 79.64(14) . . . . ? C35B Ga3 C31B C32B 116.06(13) . . . . ? Ru1 Ga3 C31B C32B -147.5(3) . . . . ? C32A Ga3 C31B C32B 46.3(2) . . . . ? C35A Ga3 C31B C36B 97.6(9) . . . . ? C34A Ga3 C31B C36B -121.0(6) . . . . ? C32B Ga3 C31B C36B 120.88(12) . . . . ? C33B Ga3 C31B C36B 159.10(5) . . . . ? C31A Ga3 C31B C36B 128.8(3) . . . . ? C33A Ga3 C31B C36B -153.8(3) . . . . ? C34B Ga3 C31B C36B -159.48(5) . . . . ? C35B Ga3 C31B C36B -123.06(12) . . . . ? Ru1 Ga3 C31B C36B -26.6(3) . . . . ? C32A Ga3 C31B C36B 167.2(2) . . . . ? C35B C31B C32B C33B 0.0 . . . . ? C36B C31B C32B C33B -180.0 . . . . ? Ga3 C31B C32B C33B -65.6(3) . . . . ? C35B C31B C32B C37B 180.0 . . . . ? C36B C31B C32B C37B 0.0 . . . . ? Ga3 C31B C32B C37B 114.4(3) . . . . ? C35B C31B C32B Ga3 65.6(3) . . . . ? C36B C31B C32B Ga3 -114.4(3) . . . . ? C35A Ga3 C32B C33B 133.6(6) . . . . ? C34A Ga3 C32B C33B 89.7(3) . . . . ? C31B Ga3 C32B C33B 115.19(12) . . . . ? C31A Ga3 C32B C33B -39.7(10) . . . . ? C33A Ga3 C32B C33B 46.3(2) . . . . ? C34B Ga3 C32B C33B 37.29(9) . . . . ? C35B Ga3 C32B C33B 78.09(14) . . . . ? Ru1 Ga3 C32B C33B -134.3(5) . . . . ? C32A Ga3 C32B C33B 5.3(3) . . . . ? C35A Ga3 C32B C31B 18.4(7) . . . . ? C34A Ga3 C32B C31B -25.5(3) . . . . ? C33B Ga3 C32B C31B -115.19(12) . . . . ? C31A Ga3 C32B C31B -154.9(10) . . . . ? C33A Ga3 C32B C31B -68.9(2) . . . . ? C34B Ga3 C32B C31B -77.89(13) . . . . ? C35B Ga3 C32B C31B -37.09(8) . . . . ? Ru1 Ga3 C32B C31B 110.6(5) . . . . ? C32A Ga3 C32B C31B -109.9(3) . . . . ? C35A Ga3 C32B C37B -104.1(7) . . . . ? C34A Ga3 C32B C37B -148.0(3) . . . . ? C33B Ga3 C32B C37B 122.29(12) . . . . ? C31B Ga3 C32B C37B -122.53(11) . . . . ? C31A Ga3 C32B C37B 82.6(10) . . . . ? C33A Ga3 C32B C37B 168.6(3) . . . . ? C34B Ga3 C32B C37B 159.6 . . . . ? C35B Ga3 C32B C37B -159.6 . . . . ? Ru1 Ga3 C32B C37B -12.0(6) . . . . ? C32A Ga3 C32B C37B 127.6(3) . . . . ? C31B C32B C33B C34B 0.0 . . . . ? C37B C32B C33B C34B 180.0 . . . . ? Ga3 C32B C33B C34B -65.9(2) . . . . ? C31B C32B C33B C38B 180.0 . . . . ? C37B C32B C33B C38B 0.0 . . . . ? Ga3 C32B C33B C38B 114.1(2) . . . . ? C31B C32B C33B Ga3 65.9(2) . . . . ? C37B C32B C33B Ga3 -114.1(2) . . . . ? C35A Ga3 C33B C32B -19.4(3) . . . . ? C34A Ga3 C33B C32B -63.6(2) . . . . ? C31B Ga3 C33B C32B -38.11(9) . . . . ? C31A Ga3 C33B C32B 20.7(5) . . . . ? C33A Ga3 C33B C32B -104.7(3) . . . . ? C34B Ga3 C33B C32B -115.81(12) . . . . ? C35B Ga3 C33B C32B -79.35(14) . . . . ? Ru1 Ga3 C33B C32B 149.0(4) . . . . ? C32A Ga3 C33B C32B -153.0(17) . . . . ? C35A Ga3 C33B C34B 96.5(2) . . . . ? C34A Ga3 C33B C34B 52.2(2) . . . . ? C32B Ga3 C33B C34B 115.81(12) . . . . ? C31B Ga3 C33B C34B 77.71(13) . . . . ? C31A Ga3 C33B C34B 136.5(5) . . . . ? C33A Ga3 C33B C34B 11.1(3) . . . . ? C35B Ga3 C33B C34B 36.47(9) . . . . ? Ru1 Ga3 C33B C34B -95.2(4) . . . . ? C32A Ga3 C33B C34B -37.1(17) . . . . ? C35A Ga3 C33B C38B -140.5(3) . . . . ? C34A Ga3 C33B C38B 175.3(2) . . . . ? C32B Ga3 C33B C38B -121.10(12) . . . . ? C31B Ga3 C33B C38B -159.2 . . . . ? C31A Ga3 C33B C38B -100.4(5) . . . . ? C33A Ga3 C33B C38B 134.2(3) . . . . ? C34B Ga3 C33B C38B 123.08(12) . . . . ? C35B Ga3 C33B C38B 159.5 . . . . ? Ru1 Ga3 C33B C38B 27.9(4) . . . . ? C32A Ga3 C33B C38B 85.9(17) . . . . ? C32B C33B C34B C35B 0.0 . . . . ? C38B C33B C34B C35B 180.0 . . . . ? Ga3 C33B C34B C35B -63.3(2) . . . . ? C32B C33B C34B C39B -180.0 . . . . ? C38B C33B C34B C39B 0.0 . . . . ? Ga3 C33B C34B C39B 116.7(2) . . . . ? C32B C33B C34B Ga3 63.3(2) . . . . ? C38B C33B C34B Ga3 -116.7(2) . . . . ? C35A Ga3 C34B C35B 55.3(2) . . . . ? C34A Ga3 C34B C35B 17.0(3) . . . . ? C32B Ga3 C34B C35B 79.09(15) . . . . ? C33B Ga3 C34B C35B 117.22(13) . . . . ? C31B Ga3 C34B C35B 36.80(9) . . . . ? C31A Ga3 C34B C35B 95.8(2) . . . . ? C33A Ga3 C34B C35B 1.4(17) . . . . ? Ru1 Ga3 C34B C35B -105.0(2) . . . . ? C32A Ga3 C34B C35B 127.1(4) . . . . ? C35A Ga3 C34B C33B -62.0(2) . . . . ? C34A Ga3 C34B C33B -100.2(3) . . . . ? C32B Ga3 C34B C33B -38.12(9) . . . . ? C31B Ga3 C34B C33B -80.42(15) . . . . ? C31A Ga3 C34B C33B -21.5(3) . . . . ? C33A Ga3 C34B C33B -115.8(16) . . . . ? C35B Ga3 C34B C33B -117.22(13) . . . . ? Ru1 Ga3 C34B C33B 137.8(2) . . . . ? C32A Ga3 C34B C33B 9.8(5) . . . . ? C35A Ga3 C34B C39B 177.5(2) . . . . ? C34A Ga3 C34B C39B 139.2(3) . . . . ? C32B Ga3 C34B C39B -158.71(5) . . . . ? C33B Ga3 C34B C39B -120.58(13) . . . . ? C31B Ga3 C34B C39B 159.00(5) . . . . ? C31A Ga3 C34B C39B -142.0(3) . . . . ? C33A Ga3 C34B C39B 123.6(17) . . . . ? C35B Ga3 C34B C39B 122.20(13) . . . . ? Ru1 Ga3 C34B C39B 17.2(3) . . . . ? C32A Ga3 C34B C39B -110.8(5) . . . . ? C33B C34B C35B C31B 0.0 . . . . ? C39B C34B C35B C31B 180.0 . . . . ? Ga3 C34B C35B C31B -61.4(2) . . . . ? C33B C34B C35B C40B 180.0 . . . . ? C39B C34B C35B C40B 0.0 . . . . ? Ga3 C34B C35B C40B 118.6(2) . . . . ? C33B C34B C35B Ga3 61.4(2) . . . . ? C39B C34B C35B Ga3 -118.6(2) . . . . ? C32B C31B C35B C34B 0.0 . . . . ? C36B C31B C35B C34B 180.0 . . . . ? Ga3 C31B C35B C34B 62.8(2) . . . . ? C32B C31B C35B C40B 180.0 . . . . ? C36B C31B C35B C40B 0.0 . . . . ? Ga3 C31B C35B C40B -117.2(2) . . . . ? C32B C31B C35B Ga3 -62.8(2) . . . . ? C36B C31B C35B Ga3 117.2(2) . . . . ? C35A Ga3 C35B C34B -102.8(3) . . . . ? C34A Ga3 C35B C34B -120.6(10) . . . . ? C32B Ga3 C35B C34B -79.43(15) . . . . ? C33B Ga3 C35B C34B -37.00(10) . . . . ? C31B Ga3 C35B C34B -117.40(13) . . . . ? C31A Ga3 C35B C34B -65.6(2) . . . . ? C33A Ga3 C35B C34B -0.4(5) . . . . ? Ru1 Ga3 C35B C34B 114.7(2) . . . . ? C32A Ga3 C35B C34B -27.9(3) . . . . ? C35A Ga3 C35B C31B 14.6(3) . . . . ? C34A Ga3 C35B C31B -3.2(10) . . . . ? C32B Ga3 C35B C31B 37.97(10) . . . . ? C33B Ga3 C35B C31B 80.40(15) . . . . ? C31A Ga3 C35B C31B 51.8(2) . . . . ? C33A Ga3 C35B C31B 117.0(5) . . . . ? C34B Ga3 C35B C31B 117.40(13) . . . . ? Ru1 Ga3 C35B C31B -127.9(2) . . . . ? C32A Ga3 C35B C31B 89.5(2) . . . . ? C35A Ga3 C35B C40B 135.3(3) . . . . ? C34A Ga3 C35B C40B 117.5(10) . . . . ? C32B Ga3 C35B C40B 158.66(5) . . . . ? C33B Ga3 C35B C40B -158.90(5) . . . . ? C31B Ga3 C35B C40B 120.70(13) . . . . ? C31A Ga3 C35B C40B 172.5(2) . . . . ? C33A Ga3 C35B C40B -122.3(5) . . . . ? C34B Ga3 C35B C40B -121.90(14) . . . . ? Ru1 Ga3 C35B C40B -7.2(3) . . . . ? C32A Ga3 C35B C40B -149.8(3) . . . . ? Cl2 Ga4 C41 C45 -59.5(5) . . . . ? Cl1 Ga4 C41 C45 177.0(4) . . . . ? Cl3 Ga4 C41 C45 61.7(5) . . . . ? Cl2 Ga4 C41 C42 48.2(5) . . . . ? Cl1 Ga4 C41 C42 -75.3(5) . . . . ? Cl3 Ga4 C41 C42 169.5(4) . . . . ? Cl2 Ga4 C41 C46 174.1(4) . . . . ? Cl1 Ga4 C41 C46 50.6(5) . . . . ? Cl3 Ga4 C41 C46 -64.7(5) . . . . ? C45 C41 C42 C43 7.6(8) . . . . ? C46 C41 C42 C43 144.0(7) . . . . ? Ga4 C41 C42 C43 -97.3(6) . . . . ? C45 C41 C42 C47 -172.2(6) . . . . ? C46 C41 C42 C47 -35.8(10) . . . . ? Ga4 C41 C42 C47 82.9(7) . . . . ? C41 C42 C43 C44 -4.4(8) . . . . ? C47 C42 C43 C44 175.4(7) . . . . ? C41 C42 C43 C48 176.5(6) . . . . ? C47 C42 C43 C48 -3.7(12) . . . . ? C42 C43 C44 C45 -0.7(8) . . . . ? C48 C43 C44 C45 178.4(6) . . . . ? C42 C43 C44 C49 175.2(7) . . . . ? C48 C43 C44 C49 -5.6(11) . . . . ? C43 C44 C45 C41 5.6(8) . . . . ? C49 C44 C45 C41 -170.1(7) . . . . ? C43 C44 C45 C50 -173.5(6) . . . . ? C49 C44 C45 C50 10.8(12) . . . . ? C42 C41 C45 C44 -8.0(7) . . . . ? C46 C41 C45 C44 -144.8(6) . . . . ? Ga4 C41 C45 C44 95.2(5) . . . . ? C42 C41 C45 C50 171.2(6) . . . . ? C46 C41 C45 C50 34.4(10) . . . . ? Ga4 C41 C45 C50 -85.6(7) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 25.05 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 0.871 _refine_diff_density_min -0.917 _refine_diff_density_rms 0.125 #=================================================END