Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2003 data_global _journal_coden_Cambridge 182 _journal_volume ? _journal_year ? _journal_page_first ? # 1. SUBMISSION DETAILS loop_ _publ_contact_authors 'Maurizio Peruzzini' _publ_contact_author_phone: 39 055 245990 _publ_contact_author_fax : 39 055 2478366 loop_ _publ_contact_author_e-mail 'peruz@fi.cnr.it' _publ_requested_journal 'Chem. Comm.' #====================================================================== # 2. TITLE AND AUTHOR LIST _publ_section_title: ; Synthesis, catalytic properties and biological activity of new water soluble ruthenium cyclopentadienyl PTA complexes [(C5R5)RuCl(PTA)2] (R=H, Me; PTA= 1,3,5-triaza-7-phosphaadamantane) ; loop_ _publ_author_name 'Dina N. Akbayeva' 'Luca Gonsalvi' 'Werner Oberhauser' 'Maurizio Peruzzini' 'Francesco Vizza' 'Peter Brueggeller' 'Antonio Romerosa' 'Gianni Sava' 'Alberta Bergamo' #====================================================================== data_1 _database_code_CSD 195496 _audit_creation_method SHELXL-97 _chemical_name_systematic '[RuCl(Me5Cp)(C6H12N3)2]' _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H39 Cl N6 P2 Ru x C2 H4 Cl2' _chemical_formula_weight 685.01 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' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' 'O' 'O' 0.0106 0.0060 '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 12.5986(2) _cell_length_b 16.2139(3) _cell_length_c 16.3454(3) _cell_angle_alpha 64.0661(8) _cell_angle_beta 82.934(1) _cell_angle_gamma 80.159(1) _cell_volume 2954.1(1) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _cell_measurement_reflns_used 500 _cell_measurement_theta_min 1.0 _cell_measurement_theta_max 25.0 _exptl_crystal_description prism _exptl_crystal_colour brown _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.2 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.541 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1416 _exptl_absorpt_coefficient_mu 0.751 _exptl_absorpt_correction_type 'Sortav' _exptl_absorpt_correction_T_min 0.756 _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 'Kappa CCD' _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_% 0 _diffrn_reflns_number 25086 _diffrn_reflns_av_R_equivalents 0.0180 _diffrn_reflns_av_sigmaI/netI 0.0489 _diffrn_reflns_limit_h_min -1 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.39 _diffrn_reflns_theta_max 27.52 _reflns_number_total 13313 _reflns_number_gt 7561 _reflns_threshold_expression >3sigma(I) _computing_data_collection 'Kappa CCD' _computing_cell_refinement 'Denzo and Scalepack' _computing_data_reduction 'Denzo and Scalepack' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL PLUS' _computing_publication_material 'SHELXTL PLUS' _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^)+(0.0001P)^2^+19.3120P] 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 7561 _refine_ls_number_parameters 704 _refine_ls_number_restraints 0 _refine_ls_R_factor_gt 0.0548 _refine_ls_wR_factor_gt 0.1085 _refine_ls_goodness_of_fit_ref 1.093 _refine_ls_restrained_S_all 1.093 _refine_ls_shift/su_max 0.105 _refine_ls_shift/su_mean 0.022 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 0.31949(3) 0.71255(3) 0.11941(3) 0.01532(9) Uani 1 1 d . . . Ru2 Ru 0.68048(4) 0.28723(4) 0.38101(4) 0.03407(13) Uani 1 1 d . . . Cl1 Cl 0.32640(11) 0.62516(9) 0.28627(9) 0.0262(3) Uani 1 1 d . . . Cl2 Cl 0.6728(2) 0.37404(19) 0.21433(15) 0.0788(8) Uani 1 1 d . . . P1 P 0.23781(10) 0.60084(10) 0.11185(10) 0.0220(3) Uani 1 1 d . . . P2 P 0.16046(11) 0.78629(9) 0.15304(9) 0.0194(3) Uani 1 1 d . . . P3 P 0.83917(13) 0.21382(11) 0.34688(11) 0.0316(3) Uani 1 1 d . . . P4 P 0.76206(16) 0.39909(10) 0.38844(11) 0.0373(4) Uani 1 1 d . . . C11 C 0.4950(6) 0.7021(6) 0.0919(7) 0.073(3) Uani 1 1 d . . . C12 C 0.4546(8) 0.7081(6) 0.0197(8) 0.073(3) Uani 1 1 d . . . C13 C 0.3843(6) 0.7918(5) -0.0192(4) 0.0449(19) Uani 1 1 d . . . C14 C 0.3919(5) 0.8416(4) 0.0322(4) 0.0320(14) Uani 1 1 d . . . C15 C 0.4574(5) 0.7875(6) 0.1047(5) 0.050(2) Uani 1 1 d . . . C1A C 0.5726(8) 0.6282(11) 0.1527(12) 0.212(12) Uani 1 1 d . . . H1AA H 0.6438 0.6460 0.1363 0.319 Uiso 1 1 calc R . . H1AB H 0.5713 0.5720 0.1469 0.319 Uiso 1 1 calc R . . H1AC H 0.5531 0.6186 0.2146 0.319 Uiso 1 1 calc R . . C1B C 0.4785(11) 0.6506(8) -0.0376(9) 0.127(6) Uani 1 1 d . . . H1BA H 0.5215 0.6826 -0.0917 0.191 Uiso 1 1 calc R . . H1BB H 0.4118 0.6426 -0.0542 0.191 Uiso 1 1 calc R . . H1BC H 0.5170 0.5911 -0.0021 0.191 Uiso 1 1 calc R . . C1C C 0.3289(12) 0.8344(11) -0.1072(7) 0.152(8) Uani 1 1 d . . . H1CA H 0.3801 0.8610 -0.1569 0.228 Uiso 1 1 calc R . . H1CB H 0.2721 0.8817 -0.1063 0.228 Uiso 1 1 calc R . . H1CC H 0.2990 0.7876 -0.1148 0.228 Uiso 1 1 calc R . . C1D C 0.3476(8) 0.9433(5) -0.0035(9) 0.098(5) Uani 1 1 d . . . H1DA H 0.3900 0.9780 -0.0569 0.147 Uiso 1 1 calc R . . H1DB H 0.3508 0.9646 0.0424 0.147 Uiso 1 1 calc R . . H1DC H 0.2741 0.9519 -0.0186 0.147 Uiso 1 1 calc R . . C1E C 0.4893(9) 0.8200(11) 0.1686(6) 0.124(6) Uani 1 1 d . . . H1EA H 0.5632 0.8311 0.1551 0.186 Uiso 1 1 calc R . . H1EB H 0.4810 0.7737 0.2299 0.186 Uiso 1 1 calc R . . H1EC H 0.4442 0.8763 0.1623 0.186 Uiso 1 1 calc R . . C21 C 0.6112(7) 0.1583(6) 0.4711(6) 0.073(3) Uani 1 1 d . . . C22 C 0.6149(5) 0.2110(9) 0.5177(5) 0.073(3) Uani 1 1 d . . . C23 C 0.5473(5) 0.2878(7) 0.4859(6) 0.056(2) Uani 1 1 d . . . C24 C 0.5036(5) 0.2966(5) 0.4024(6) 0.053(2) Uani 1 1 d . . . C25 C 0.5433(8) 0.2115(5) 0.3973(5) 0.055(2) Uani 1 1 d . . . C2AA C 0.6531(14) 0.0578(7) 0.5007(11) 0.218(13) Uani 1 1 d . . . H2AA H 0.6265 0.0230 0.5620 0.327 Uiso 1 1 calc R . . H2AB H 0.7305 0.0498 0.4981 0.327 Uiso 1 1 calc R . . H2AC H 0.6290 0.0361 0.4609 0.327 Uiso 1 1 calc R . . C2B C 0.6666(8) 0.1790(14) 0.6087(6) 0.169(9) Uani 1 1 d . . . H2BA H 0.6458 0.2250 0.6318 0.254 Uiso 1 1 calc R . . H2BB H 0.7437 0.1704 0.5996 0.254 Uiso 1 1 calc R . . H2BC H 0.6427 0.1216 0.6517 0.254 Uiso 1 1 calc R . . C2C C 0.4999(10) 0.3671(13) 0.5113(15) 0.234(13) Uani 1 1 d . . . H2CA H 0.4275 0.3588 0.5366 0.351 Uiso 1 1 calc R . . H2CB H 0.4992 0.4247 0.4579 0.351 Uiso 1 1 calc R . . H2CC H 0.5430 0.3677 0.5555 0.351 Uiso 1 1 calc R . . C2D C 0.4231(8) 0.3737(7) 0.3427(12) 0.170(9) Uani 1 1 d . . . H2DA H 0.3514 0.3577 0.3626 0.255 Uiso 1 1 calc R . . H2DB H 0.4377 0.3824 0.2806 0.255 Uiso 1 1 calc R . . H2DC H 0.4290 0.4298 0.3471 0.255 Uiso 1 1 calc R . . C2E C 0.5055(15) 0.1872(11) 0.3256(8) 0.170(9) Uani 1 1 d . . . H2EA H 0.4504 0.1474 0.3527 0.255 Uiso 1 1 calc R . . H2EB H 0.5654 0.1562 0.3032 0.255 Uiso 1 1 calc R . . H2EC H 0.4770 0.2429 0.2760 0.255 Uiso 1 1 calc R . . N1 N 0.2518(4) 0.4375(4) 0.0884(5) 0.0507(18) Uani 1 1 d . . . N2 N 0.0916(4) 0.5548(4) 0.0292(4) 0.0397(14) Uani 1 1 d . . . N3 N 0.1081(4) 0.4585(3) 0.1958(4) 0.0324(12) Uani 1 1 d . . . C1 C 0.3174(4) 0.5060(5) 0.0876(6) 0.0426(18) Uani 1 1 d . . . H1A H 0.3550 0.5327 0.0283 0.051 Uiso 1 1 calc R . . H1B H 0.3714 0.4740 0.1325 0.051 Uiso 1 1 calc R . . C2 C 0.1381(5) 0.6323(4) 0.0251(4) 0.0318(13) Uani 1 1 d . . . H2A H 0.0804 0.6768 0.0326 0.038 Uiso 1 1 calc R . . H2B H 0.1730 0.6623 -0.0349 0.038 Uiso 1 1 calc R . . C3 C 0.1584(4) 0.5250(4) 0.2112(4) 0.0242(12) Uani 1 1 d . . . H3A H 0.2055 0.4911 0.2614 0.029 Uiso 1 1 calc R . . H3B H 0.1024 0.5635 0.2295 0.029 Uiso 1 1 calc R . . C4 C 0.1922(5) 0.3944(5) 0.1727(6) 0.047(2) Uani 1 1 d . . . H4A H 0.2423 0.3649 0.2211 0.056 Uiso 1 1 calc R . . H4B H 0.1578 0.3463 0.1704 0.056 Uiso 1 1 calc R . . C5 C 0.1716(5) 0.4897(6) 0.0123(5) 0.048(2) Uani 1 1 d . . . H5A H 0.2116 0.5220 -0.0446 0.057 Uiso 1 1 calc R . . H5B H 0.1360 0.4450 0.0049 0.057 Uiso 1 1 calc R . . C6 C 0.0351(5) 0.5087(5) 0.1172(5) 0.0393(16) Uani 1 1 d . . . H6A H -0.0055 0.4647 0.1138 0.047 Uiso 1 1 calc R . . H6B H -0.0161 0.5545 0.1293 0.047 Uiso 1 1 calc R . . N4 N -0.0317(4) 0.7932(4) 0.2567(4) 0.0378(13) Uani 1 1 d . . . N5 N 0.0775(4) 0.9178(3) 0.2203(4) 0.0332(12) Uani 1 1 d . . . N6 N -0.0252(4) 0.9152(3) 0.1024(3) 0.0260(10) Uani 1 1 d . . . C1AA C 0.0568(5) 0.7266(4) 0.2420(5) 0.0369(16) Uani 1 1 d . . . H1AD H 0.0265 0.6865 0.2238 0.044 Uiso 1 1 calc R . . H1AE H 0.0912 0.6883 0.2989 0.044 Uiso 1 1 calc R . . C2A C 0.0654(4) 0.8648(4) 0.0662(4) 0.0240(11) Uani 1 1 d . . . H2AD H 0.1044 0.9097 0.0164 0.029 Uiso 1 1 calc R . . H2AE H 0.0352 0.8293 0.0421 0.029 Uiso 1 1 calc R . . C3A C 0.1779(5) 0.8679(4) 0.1996(4) 0.0306(13) Uani 1 1 d . . . H3AA H 0.2165 0.8339 0.2550 0.037 Uiso 1 1 calc R . . H3AB H 0.2225 0.9128 0.1562 0.037 Uiso 1 1 calc R . . C4A C -0.0894(5) 0.8490(4) 0.1758(5) 0.0376(16) Uani 1 1 d . . . H4AA H -0.1535 0.8831 0.1913 0.045 Uiso 1 1 calc R . . H4AB H -0.1125 0.8088 0.1536 0.045 Uiso 1 1 calc R . . C5A C 0.0092(6) 0.8535(5) 0.2882(5) 0.0430(17) Uani 1 1 d . . . H5AA H -0.0517 0.8885 0.3063 0.052 Uiso 1 1 calc R . . H5AB H 0.0500 0.8151 0.3417 0.052 Uiso 1 1 calc R . . C6A C 0.0168(5) 0.9702(4) 0.1390(4) 0.0264(12) Uani 1 1 d . . . H6AA H 0.0630 1.0107 0.0919 0.032 Uiso 1 1 calc R . . H6AB H -0.0434 1.0091 0.1527 0.032 Uiso 1 1 calc R . . N7 N 0.7500(7) 0.5595(4) 0.4161(5) 0.066(3) Uani 1 1 d . . . N8 N 0.9095(6) 0.4444(4) 0.4721(4) 0.0540(19) Uani 1 1 d . . . N9 N 0.8928(5) 0.5401(4) 0.3071(4) 0.0447(16) Uani 1 1 d . . . C1BB C 0.6809(7) 0.4958(4) 0.4112(5) 0.059(3) Uani 1 1 d . . . H1BD H 0.6311 0.5307 0.3632 0.071 Uiso 1 1 calc R . . H1BE H 0.6387 0.4699 0.4683 0.071 Uiso 1 1 calc R . . C2BB C 0.8611(7) 0.3655(4) 0.4752(5) 0.051(2) Uani 1 1 d . . . H2BD H 0.8260 0.3351 0.5351 0.061 Uiso 1 1 calc R . . H2BE H 0.9184 0.3210 0.4671 0.061 Uiso 1 1 calc R . . C3B C 0.8420(6) 0.4737(5) 0.2887(5) 0.0476(19) Uani 1 1 d . . . H3BA H 0.8981 0.4349 0.2707 0.057 Uiso 1 1 calc R . . H3BB H 0.7954 0.5081 0.2383 0.057 Uiso 1 1 calc R . . C4B C 0.8107(7) 0.6034(4) 0.3276(5) 0.060(3) Uani 1 1 d . . . H4BA H 0.7603 0.6312 0.2795 0.073 Uiso 1 1 calc R . . H4BB H 0.8446 0.6526 0.3281 0.073 Uiso 1 1 calc R . . C5B C 0.8179(9) 0.5146(5) 0.4853(7) 0.082(4) Uani 1 1 d . . . H5BA H 0.7757 0.4822 0.5408 0.098 Uiso 1 1 calc R . . H5BB H 0.8499 0.5603 0.4939 0.098 Uiso 1 1 calc R . . C6B C 0.9614(7) 0.4938(4) 0.3810(5) 0.0471(19) Uani 1 1 d . . . H6BA H 1.0006 0.5390 0.3838 0.057 Uiso 1 1 calc R . . H6BB H 1.0140 0.4495 0.3678 0.057 Uiso 1 1 calc R . . N10 N 0.9222(4) 0.0825(4) 0.2801(3) 0.0318(11) Uani 1 1 d . . . N11 N 1.0245(5) 0.0859(5) 0.3990(4) 0.0519(17) Uani 1 1 d . . . N12 N 1.0314(4) 0.2092(4) 0.2394(4) 0.0390(13) Uani 1 1 d . . . C1CC C 0.8203(5) 0.1320(4) 0.3002(4) 0.0336(14) Uani 1 1 d . . . H1CD H 0.7757 0.0870 0.3436 0.040 Uiso 1 1 calc R . . H1CE H 0.7819 0.1659 0.2447 0.040 Uiso 1 1 calc R . . C2CC C 0.9367(7) 0.1340(5) 0.4335(5) 0.052(2) Uani 1 1 d . . . H2CD H 0.9665 0.1693 0.4581 0.062 Uiso 1 1 calc R . . H2CE H 0.8980 0.0887 0.4833 0.062 Uiso 1 1 calc R . . C3C C 0.9429(5) 0.2719(4) 0.2587(5) 0.0358(15) Uani 1 1 d . . . H3CA H 0.9076 0.3118 0.2026 0.043 Uiso 1 1 calc R . . H3CB H 0.9739 0.3109 0.2779 0.043 Uiso 1 1 calc R . . C4C C 0.9831(6) 0.0284(5) 0.3637(5) 0.0477(18) Uani 1 1 d . . . H4CA H 0.9364 -0.0116 0.4107 0.057 Uiso 1 1 calc R . . H4CB H 1.0435 -0.0108 0.3507 0.057 Uiso 1 1 calc R . . C5C C 1.0876(6) 0.1489(5) 0.3263(6) 0.050(2) Uani 1 1 d . . . H5CA H 1.1510 0.1132 0.3121 0.060 Uiso 1 1 calc R . . H5CB H 1.1123 0.1887 0.3482 0.060 Uiso 1 1 calc R . . C6C C 0.9905(5) 0.1477(4) 0.2108(4) 0.0319(13) Uani 1 1 d . . . H6CA H 1.0514 0.1125 0.1928 0.038 Uiso 1 1 calc R . . H6CB H 0.9491 0.1851 0.1574 0.038 Uiso 1 1 calc R . . Cl3 Cl -0.1733(3) 0.7284(3) 0.0336(3) 0.0895(12) Uani 0.70 1 d P . . Cl3A Cl -0.1970(7) 0.8256(7) -0.0051(6) 0.078(2) Uani 0.30 1 d P . . Cl4 Cl -0.3878(5) 0.8970(6) -0.1761(6) 0.180(3) Uani 0.70 1 d P . . Cl4A Cl -0.3170(7) 0.9507(5) -0.2008(6) 0.074(2) Uani 0.30 1 d P . . C31 C -0.2501(12) 0.7693(12) -0.0627(13) 0.074(5) Uani 0.70 1 d P . . C32 C -0.317(3) 0.8235(18) -0.092(2) 0.27(2) Uani 1 1 d . . . C31A C -0.310(3) 0.862(2) -0.073(3) 0.082(14) Uani 0.30 1 d P . . Cl5 Cl 0.8383(5) 0.7429(5) 0.5282(5) 0.1143(19) Uani 0.62 1 d P . . Cl5A Cl 0.7786(7) 0.8197(6) 0.4971(6) 0.089(2) Uani 0.38 1 d P . . Cl6 Cl 0.6380(4) 0.9188(3) 0.3069(3) 0.1251(13) Uani 1 1 d . . . C33 C 0.7517(9) 0.7774(7) 0.4267(7) 0.074(3) Uani 1 1 d . . . C34 C 0.7048(16) 0.8706(19) 0.410(2) 0.149(14) Uani 0.62 1 d P . . C34A C 0.652(3) 0.8244(17) 0.3811(17) 0.081(8) Uani 0.38 1 d P . . 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 0.01734(19) 0.01414(19) 0.01540(19) -0.00664(15) 0.00084(14) -0.00464(14) Ru2 0.0396(3) 0.0338(3) 0.0305(3) -0.0177(2) -0.0083(2) 0.0065(2) Cl1 0.0345(7) 0.0256(7) 0.0148(6) -0.0025(5) -0.0075(5) -0.0072(6) Cl2 0.0940(17) 0.0902(18) 0.0359(11) -0.0244(12) -0.0140(11) 0.0304(14) P1 0.0156(6) 0.0287(7) 0.0334(8) -0.0226(6) -0.0025(5) -0.0060(5) P2 0.0214(6) 0.0152(6) 0.0197(7) -0.0061(5) 0.0022(5) -0.0034(5) P3 0.0375(8) 0.0308(8) 0.0315(8) -0.0199(7) -0.0073(7) 0.0050(7) P4 0.0615(11) 0.0150(7) 0.0241(8) -0.0036(6) 0.0155(7) -0.0018(7) C11 0.019(3) 0.053(5) 0.078(6) 0.022(5) 0.027(4) 0.006(3) C12 0.085(7) 0.035(4) 0.098(8) -0.038(5) 0.073(6) -0.038(5) C13 0.065(5) 0.053(4) 0.016(3) -0.004(3) 0.008(3) -0.045(4) C14 0.032(3) 0.026(3) 0.041(4) -0.017(3) 0.016(3) -0.016(3) C15 0.033(3) 0.092(6) 0.038(4) -0.029(4) 0.018(3) -0.054(4) C1A 0.027(5) 0.183(15) 0.206(17) 0.101(13) 0.036(7) 0.009(7) C1B 0.180(12) 0.116(9) 0.138(10) -0.104(9) 0.138(10) -0.120(9) C1C 0.183(14) 0.236(17) 0.033(5) -0.005(8) 0.000(7) -0.169(14) C1D 0.071(6) 0.023(4) 0.159(11) -0.013(5) 0.058(7) -0.016(4) C1E 0.096(7) 0.280(17) 0.042(5) -0.077(8) 0.034(5) -0.141(10) C21 0.072(6) 0.040(4) 0.049(5) 0.014(4) 0.032(4) 0.020(4) C22 0.013(3) 0.176(11) 0.040(4) -0.060(6) 0.008(3) -0.009(5) C23 0.026(3) 0.109(7) 0.084(6) -0.084(6) 0.014(4) -0.029(4) C24 0.034(3) 0.031(4) 0.093(6) -0.016(4) -0.038(4) -0.005(3) C25 0.117(7) 0.032(4) 0.032(4) -0.017(3) -0.018(4) -0.028(4) C2AA 0.229(17) 0.055(7) 0.178(15) 0.054(8) 0.175(14) 0.051(8) C2B 0.053(6) 0.39(3) 0.022(4) -0.038(9) 0.007(4) -0.076(10) C2C 0.102(9) 0.33(2) 0.49(3) -0.39(3) 0.207(15) -0.164(13) C2D 0.064(6) 0.046(6) 0.282(19) 0.066(8) -0.111(9) -0.012(5) C2E 0.32(2) 0.200(15) 0.076(8) -0.084(9) 0.054(10) -0.223(17) N1 0.023(3) 0.056(4) 0.112(6) -0.071(4) 0.006(3) -0.013(3) N2 0.020(2) 0.071(4) 0.047(3) -0.039(3) -0.003(2) -0.015(2) N3 0.024(2) 0.029(3) 0.061(4) -0.032(3) -0.004(2) -0.011(2) C1 0.016(3) 0.044(4) 0.093(6) -0.052(4) 0.006(3) -0.011(3) C2 0.025(3) 0.044(4) 0.030(3) -0.016(3) -0.008(2) -0.006(3) C3 0.027(3) 0.022(3) 0.029(3) -0.014(2) -0.004(2) -0.008(2) C4 0.027(3) 0.034(4) 0.104(6) -0.052(4) -0.009(4) -0.002(3) C5 0.036(3) 0.082(6) 0.064(5) -0.064(5) 0.003(3) -0.021(4) C6 0.020(3) 0.051(4) 0.068(5) -0.041(4) -0.006(3) -0.013(3) N4 0.041(3) 0.028(3) 0.036(3) -0.012(2) 0.023(2) -0.005(2) N5 0.040(3) 0.025(3) 0.037(3) -0.016(2) -0.002(2) -0.003(2) N6 0.022(2) 0.015(2) 0.038(3) -0.012(2) 0.004(2) 0.0002(18) C1AA 0.042(4) 0.025(3) 0.036(3) -0.011(3) 0.022(3) -0.007(3) C2A 0.022(3) 0.025(3) 0.031(3) -0.018(2) 0.003(2) -0.006(2) C3A 0.034(3) 0.037(3) 0.031(3) -0.023(3) -0.001(3) -0.008(3) C4A 0.026(3) 0.032(3) 0.051(4) -0.018(3) 0.019(3) -0.009(3) C5A 0.063(5) 0.037(4) 0.027(3) -0.015(3) 0.016(3) -0.014(3) C6A 0.034(3) 0.017(3) 0.026(3) -0.007(2) -0.008(2) -0.001(2) N7 0.112(6) 0.017(3) 0.051(4) -0.010(3) 0.064(4) -0.023(3) N8 0.110(5) 0.023(3) 0.035(3) -0.014(3) 0.024(3) -0.037(3) N9 0.065(4) 0.020(3) 0.031(3) -0.004(2) 0.029(3) -0.003(2) C1BB 0.090(6) 0.022(3) 0.049(4) -0.012(3) 0.049(4) -0.013(4) C2BB 0.099(6) 0.021(3) 0.037(4) -0.014(3) 0.014(4) -0.030(4) C3B 0.060(5) 0.029(3) 0.038(4) -0.009(3) 0.026(3) -0.001(3) C4B 0.080(6) 0.018(3) 0.055(5) -0.002(3) 0.051(4) -0.010(3) C5B 0.150(10) 0.032(4) 0.069(6) -0.032(4) 0.081(7) -0.055(5) C6B 0.080(5) 0.021(3) 0.035(4) -0.012(3) 0.024(4) -0.016(3) N10 0.042(3) 0.031(3) 0.030(3) -0.021(2) 0.001(2) -0.001(2) N11 0.060(4) 0.060(4) 0.044(4) -0.035(3) -0.028(3) 0.024(3) N12 0.032(3) 0.035(3) 0.063(4) -0.034(3) -0.007(3) 0.000(2) C1CC 0.038(3) 0.026(3) 0.036(4) -0.013(3) -0.001(3) -0.001(3) C2CC 0.068(5) 0.049(4) 0.040(4) -0.027(4) -0.029(4) 0.031(4) C3C 0.032(3) 0.028(3) 0.055(4) -0.026(3) -0.009(3) 0.002(3) C4C 0.059(5) 0.033(4) 0.053(5) -0.027(3) 0.007(4) 0.006(3) C5C 0.040(4) 0.054(5) 0.081(6) -0.055(5) -0.030(4) 0.019(3) C6C 0.030(3) 0.033(3) 0.039(4) -0.025(3) 0.000(3) 0.006(2) Cl3 0.064(2) 0.114(3) 0.118(3) -0.071(3) -0.020(2) -0.010(2) Cl3A 0.073(5) 0.117(7) 0.078(5) -0.063(5) -0.011(4) -0.032(5) Cl4 0.111(4) 0.174(7) 0.176(7) 0.001(5) 0.006(4) -0.041(4) Cl4A 0.085(5) 0.053(4) 0.083(5) -0.033(4) 0.029(4) -0.017(4) C31 0.060(8) 0.081(11) 0.121(14) -0.076(11) -0.004(8) -0.018(7) C32 0.24(3) 0.15(2) 0.31(4) 0.06(2) -0.10(3) -0.12(2) C31A 0.07(2) 0.042(17) 0.12(3) -0.024(18) 0.07(2) -0.039(16) Cl5 0.093(4) 0.159(6) 0.139(5) -0.098(5) -0.005(3) -0.041(4) Cl5A 0.090(5) 0.085(5) 0.105(6) -0.051(5) -0.008(4) -0.016(4) Cl6 0.141(3) 0.107(3) 0.092(2) -0.028(2) -0.013(2) 0.039(2) C33 0.089(7) 0.061(6) 0.076(7) -0.033(5) 0.020(6) -0.024(5) C34 0.068(11) 0.19(2) 0.31(4) -0.23(3) 0.059(17) -0.040(14) C34A 0.12(2) 0.050(14) 0.047(13) 0.004(11) -0.019(14) -0.009(14) _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 C13 2.193(6) . ? Ru1 C11 2.194(7) . ? Ru1 C15 2.216(5) . ? Ru1 C12 2.222(7) . ? Ru1 C14 2.229(5) . ? Ru1 P1 2.2845(14) . ? Ru1 P2 2.2872(16) . ? Ru1 Cl1 2.4679(16) . ? Ru2 C22 2.163(8) . ? Ru2 C24 2.202(7) . ? Ru2 C25 2.211(8) . ? Ru2 C21 2.217(8) . ? Ru2 C23 2.248(7) . ? Ru2 P3 2.2842(18) . ? Ru2 P4 2.285(2) . ? Ru2 Cl2 2.465(2) . ? P1 C3 1.850(5) . ? P1 C1 1.853(6) . ? P1 C2 1.854(6) . ? P2 C3A 1.844(6) . ? P2 C2A 1.841(6) . ? P2 C1AA 1.868(6) . ? P3 C3C 1.855(7) . ? P3 C1CC 1.854(6) . ? P3 C2CC 1.864(7) . ? P4 C2BB 1.842(9) . ? P4 C3B 1.850(6) . ? P4 C1BB 1.873(7) . ? C11 C12 1.301(15) . ? C11 C1A 1.475(14) . ? C11 C15 1.480(13) . ? C12 C13 1.415(13) . ? C12 C1B 1.561(12) . ? C13 C14 1.417(9) . ? C13 C1C 1.499(13) . ? C14 C15 1.392(10) . ? C14 C1D 1.515(10) . ? C15 C1E 1.481(11) . ? C21 C22 1.379(14) . ? C21 C25 1.422(12) . ? C21 C2AA 1.500(13) . ? C22 C23 1.313(14) . ? C22 C2B 1.535(12) . ? C23 C24 1.474(11) . ? C23 C2C 1.526(12) . ? C24 C25 1.419(10) . ? C24 C2D 1.512(10) . ? C25 C2E 1.537(11) . ? N1 C4 1.425(10) . ? N1 C1 1.490(7) . ? N1 C5 1.543(10) . ? N2 C5 1.425(9) . ? N2 C2 1.448(8) . ? N2 C6 1.457(9) . ? N3 C3 1.461(6) . ? N3 C4 1.488(8) . ? N3 C6 1.510(9) . ? N4 C4A 1.435(9) . ? N4 C5A 1.473(9) . ? N4 C1AA 1.488(8) . ? N5 C6A 1.454(8) . ? N5 C5A 1.455(8) . ? N5 C3A 1.468(8) . ? N6 C6A 1.463(7) . ? N6 C4A 1.476(7) . ? N6 C2A 1.502(7) . ? N7 C5B 1.359(14) . ? N7 C4B 1.482(8) . ? N7 C1BB 1.493(11) . ? N8 C6B 1.477(8) . ? N8 C2BB 1.489(8) . ? N8 C5B 1.542(11) . ? N9 C6B 1.418(10) . ? N9 C4B 1.445(8) . ? N9 C3B 1.492(10) . ? N10 C6C 1.471(8) . ? N10 C1CC 1.476(8) . ? N10 C4C 1.484(9) . ? N11 C5C 1.440(11) . ? N11 C2CC 1.444(9) . ? N11 C4C 1.479(10) . ? N12 C6C 1.457(8) . ? N12 C3C 1.477(8) . ? N12 C5C 1.507(10) . ? Cl3 Cl3A 1.410(11) . ? Cl3 C31 1.761(18) . ? Cl3A C31A 1.77(6) . ? Cl3A C31 1.813(15) . ? Cl3A C32 2.22(3) . ? Cl4 Cl4A 1.259(10) . ? Cl4 C32 1.61(3) . ? Cl4 C31A 1.88(6) . ? Cl4A C31A 1.96(5) . ? Cl4A C32 2.05(2) . ? C31 C32 1.09(3) . ? C31 C31A 1.52(4) . ? C32 C31A 0.84(5) . ? Cl5 Cl5A 1.264(10) . ? Cl5 C33 1.919(13) . ? Cl5A C34 1.61(3) . ? Cl5A C33 1.666(13) . ? Cl6 C34A 1.48(2) . ? Cl6 C34 1.78(3) . ? C33 C34 1.44(2) . ? C33 C34A 1.45(3) . ? C34 C34A 1.34(3) . ? 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 C13 Ru1 C11 61.2(3) . . ? C13 Ru1 C15 62.7(2) . . ? C11 Ru1 C15 39.2(4) . . ? C13 Ru1 C12 37.4(4) . . ? C11 Ru1 C12 34.2(4) . . ? C15 Ru1 C12 61.7(3) . . ? C13 Ru1 C14 37.4(2) . . ? C11 Ru1 C14 61.7(3) . . ? C15 Ru1 C14 36.5(3) . . ? C12 Ru1 C14 61.1(2) . . ? C13 Ru1 P1 105.83(18) . . ? C11 Ru1 P1 115.8(3) . . ? C15 Ru1 P1 154.7(2) . . ? C12 Ru1 P1 95.2(2) . . ? C14 Ru1 P1 142.16(18) . . ? C13 Ru1 P2 112.0(2) . . ? C11 Ru1 P2 150.9(3) . . ? C15 Ru1 P2 111.8(2) . . ? C12 Ru1 P2 149.4(3) . . ? C14 Ru1 P2 95.26(16) . . ? P1 Ru1 P2 93.30(5) . . ? C13 Ru1 Cl1 155.44(19) . . ? C11 Ru1 Cl1 95.5(3) . . ? C15 Ru1 Cl1 94.73(19) . . ? C12 Ru1 Cl1 124.8(4) . . ? C14 Ru1 Cl1 126.78(18) . . ? P1 Ru1 Cl1 90.69(6) . . ? P2 Ru1 Cl1 84.38(6) . . ? C22 Ru2 C24 62.6(3) . . ? C22 Ru2 C25 62.2(3) . . ? C24 Ru2 C25 37.5(3) . . ? C22 Ru2 C21 36.7(4) . . ? C24 Ru2 C21 62.5(3) . . ? C25 Ru2 C21 37.5(3) . . ? C22 Ru2 C23 34.6(4) . . ? C24 Ru2 C23 38.7(3) . . ? C25 Ru2 C23 61.7(3) . . ? C21 Ru2 C23 59.6(3) . . ? C22 Ru2 P3 113.1(3) . . ? C24 Ru2 P3 148.9(2) . . ? C25 Ru2 P3 111.7(2) . . ? C21 Ru2 P3 95.1(2) . . ? C23 Ru2 P3 147.6(3) . . ? C22 Ru2 P4 105.4(3) . . ? C24 Ru2 P4 117.7(2) . . ? C25 Ru2 P4 154.7(2) . . ? C21 Ru2 P4 140.6(3) . . ? C23 Ru2 P4 95.23(18) . . ? P3 Ru2 P4 93.37(7) . . ? C22 Ru2 Cl2 154.8(2) . . ? C24 Ru2 Cl2 93.0(2) . . ? C25 Ru2 Cl2 95.0(2) . . ? C21 Ru2 Cl2 128.1(3) . . ? C23 Ru2 Cl2 126.7(3) . . ? P3 Ru2 Cl2 84.27(8) . . ? P4 Ru2 Cl2 90.94(9) . . ? C3 P1 C1 95.6(3) . . ? C3 P1 C2 97.5(3) . . ? C1 P1 C2 95.2(3) . . ? C3 P1 Ru1 120.93(18) . . ? C1 P1 Ru1 121.19(17) . . ? C2 P1 Ru1 120.3(2) . . ? C3A P2 C2A 97.3(3) . . ? C3A P2 C1AA 95.9(3) . . ? C2A P2 C1AA 96.6(3) . . ? C3A P2 Ru1 113.7(2) . . ? C2A P2 Ru1 123.04(18) . . ? C1AA P2 Ru1 124.2(2) . . ? C3C P3 C1CC 95.9(3) . . ? C3C P3 C2CC 95.6(4) . . ? C1CC P3 C2CC 97.1(3) . . ? C3C P3 Ru2 125.0(2) . . ? C1CC P3 Ru2 113.3(2) . . ? C2CC P3 Ru2 123.6(3) . . ? C2BB P4 C3B 98.2(4) . . ? C2BB P4 C1BB 96.8(4) . . ? C3B P4 C1BB 95.8(3) . . ? C2BB P4 Ru2 119.2(2) . . ? C3B P4 Ru2 120.3(3) . . ? C1BB P4 Ru2 121.0(3) . . ? C12 C11 C1A 129.2(15) . . ? C12 C11 C15 109.6(7) . . ? C1A C11 C15 121.1(14) . . ? C12 C11 Ru1 74.0(5) . . ? C1A C11 Ru1 124.1(5) . . ? C15 C11 Ru1 71.2(3) . . ? C11 C12 C13 110.5(7) . . ? C11 C12 C1B 133.7(12) . . ? C13 C12 C1B 115.3(12) . . ? C11 C12 Ru1 71.7(4) . . ? C13 C12 Ru1 70.2(4) . . ? C1B C12 Ru1 130.9(6) . . ? C12 C13 C14 106.0(7) . . ? C12 C13 C1C 130.2(10) . . ? C14 C13 C1C 122.7(10) . . ? C12 C13 Ru1 72.4(4) . . ? C14 C13 Ru1 72.7(3) . . ? C1C C13 Ru1 129.2(6) . . ? C15 C14 C13 109.5(6) . . ? C15 C14 C1D 129.6(8) . . ? C13 C14 C1D 120.0(8) . . ? C15 C14 Ru1 71.3(3) . . ? C13 C14 Ru1 69.9(3) . . ? C1D C14 Ru1 133.0(5) . . ? C14 C15 C11 104.2(7) . . ? C14 C15 C1E 124.1(10) . . ? C11 C15 C1E 131.1(10) . . ? C14 C15 Ru1 72.2(3) . . ? C11 C15 Ru1 69.6(4) . . ? C1E C15 Ru1 128.4(5) . . ? C22 C21 C25 107.5(7) . . ? C22 C21 C2AA 127.0(12) . . ? C25 C21 C2AA 124.6(13) . . ? C22 C21 Ru2 69.5(5) . . ? C25 C21 Ru2 71.0(4) . . ? C2AA C21 Ru2 132.9(6) . . ? C23 C22 C21 111.0(7) . . ? C23 C22 C2B 120.8(11) . . ? C21 C22 C2B 126.6(12) . . ? C23 C22 Ru2 76.2(6) . . ? C21 C22 Ru2 73.8(4) . . ? C2B C22 Ru2 128.8(6) . . ? C22 C23 C24 108.7(7) . . ? C22 C23 C2C 138.8(11) . . ? C24 C23 C2C 112.5(11) . . ? C22 C23 Ru2 69.2(4) . . ? C24 C23 Ru2 69.0(4) . . ? C2C C23 Ru2 128.0(7) . . ? C25 C24 C23 104.4(6) . . ? C25 C24 C2D 127.7(10) . . ? C23 C24 C2D 127.4(10) . . ? C25 C24 Ru2 71.6(5) . . ? C23 C24 Ru2 72.4(3) . . ? C2D C24 Ru2 126.0(7) . . ? C24 C25 C21 107.6(7) . . ? C24 C25 C2E 121.3(10) . . ? C21 C25 C2E 130.9(10) . . ? C24 C25 Ru2 70.9(4) . . ? C21 C25 Ru2 71.5(5) . . ? C2E C25 Ru2 126.7(6) . . ? C4 N1 C1 113.3(6) . . ? C4 N1 C5 108.6(5) . . ? C1 N1 C5 107.3(6) . . ? C5 N2 C2 111.5(5) . . ? C5 N2 C6 109.6(6) . . ? C2 N2 C6 111.1(5) . . ? C3 N3 C4 110.2(4) . . ? C3 N3 C6 110.0(5) . . ? C4 N3 C6 108.1(5) . . ? N1 C1 P1 114.1(4) . . ? N2 C2 P1 114.3(4) . . ? N3 C3 P1 115.0(4) . . ? N1 C4 N3 114.5(6) . . ? N2 C5 N1 113.8(5) . . ? N2 C6 N3 114.2(5) . . ? C4A N4 C5A 109.4(5) . . ? C4A N4 C1AA 111.9(5) . . ? C5A N4 C1AA 111.5(6) . . ? C6A N5 C5A 107.6(5) . . ? C6A N5 C3A 110.4(5) . . ? C5A N5 C3A 110.7(5) . . ? C6A N6 C4A 108.4(5) . . ? C6A N6 C2A 110.7(4) . . ? C4A N6 C2A 110.5(4) . . ? N4 C1AA P2 112.2(4) . . ? N6 C2A P2 113.1(4) . . ? N5 C3A P2 115.2(4) . . ? N4 C4A N6 113.4(5) . . ? N5 C5A N4 114.0(5) . . ? N5 C6A N6 115.7(5) . . ? C5B N7 C4B 111.0(7) . . ? C5B N7 C1BB 111.4(6) . . ? C4B N7 C1BB 109.8(7) . . ? C6B N8 C2BB 110.2(5) . . ? C6B N8 C5B 106.1(5) . . ? C2BB N8 C5B 108.4(7) . . ? C6B N9 C4B 108.8(6) . . ? C6B N9 C3B 111.7(5) . . ? C4B N9 C3B 110.3(6) . . ? N7 C1BB P4 112.4(6) . . ? N8 C2BB P4 113.9(5) . . ? N9 C3B P4 112.9(5) . . ? N9 C4B N7 113.9(5) . . ? N7 C5B N8 115.6(7) . . ? N9 C6B N8 117.0(7) . . ? C6C N10 C1CC 110.9(5) . . ? C6C N10 C4C 108.8(5) . . ? C1CC N10 C4C 110.7(5) . . ? C5C N11 C2CC 111.9(6) . . ? C5C N11 C4C 107.8(6) . . ? C2CC N11 C4C 110.7(6) . . ? C6C N12 C3C 111.4(5) . . ? C6C N12 C5C 107.0(5) . . ? C3C N12 C5C 108.2(5) . . ? N10 C1CC P3 113.7(4) . . ? N11 C2CC P3 114.2(5) . . ? N12 C3C P3 115.3(4) . . ? N11 C4C N10 114.0(6) . . ? N11 C5C N12 116.1(6) . . ? N12 C6C N10 115.0(5) . . ? Cl3A Cl3 C31 68.8(6) . . ? Cl3 Cl3A C31A 110.4(11) . . ? Cl3 Cl3A C31 64.8(7) . . ? C31A Cl3A C31 50.1(13) . . ? Cl3 Cl3A C32 91.6(8) . . ? C31A Cl3A C32 20.8(14) . . ? C31 Cl3A C32 29.3(9) . . ? Cl4A Cl4 C32 90.2(10) . . ? Cl4A Cl4 C31A 74.4(10) . . ? C32 Cl4 C31A 26.6(15) . . ? Cl4 Cl4A C31A 67.3(13) . . ? Cl4 Cl4A C32 51.9(9) . . ? C31A Cl4A C32 24.2(15) . . ? C32 C31 C31A 33(3) . . ? C32 C31 Cl3 137(3) . . ? C31A C31 Cl3 106(2) . . ? C32 C31 Cl3A 96(2) . . ? C31A C31 Cl3A 64(2) . . ? Cl3 C31 Cl3A 46.4(5) . . ? C31A C32 C31 103(6) . . ? C31A C32 Cl4 94(5) . . ? C31 C32 Cl4 153(4) . . ? C31A C32 Cl4A 72(4) . . ? C31 C32 Cl4A 130(3) . . ? Cl4 C32 Cl4A 37.9(6) . . ? C31A C32 Cl3A 48(5) . . ? C31 C32 Cl3A 54.3(17) . . ? Cl4 C32 Cl3A 137.7(15) . . ? Cl4A C32 Cl3A 102.6(10) . . ? C32 C31A C31 45(3) . . ? C32 C31A Cl3A 111(5) . . ? C31 C31A Cl3A 66(2) . . ? C32 C31A Cl4 59(5) . . ? C31 C31A Cl4 101(3) . . ? Cl3A C31A Cl4 157.9(19) . . ? C32 C31A Cl4A 84(5) . . ? C31 C31A Cl4A 111(2) . . ? Cl3A C31A Cl4A 126.6(15) . . ? Cl4 C31A Cl4A 38.3(11) . . ? Cl5A Cl5 C33 58.9(6) . . ? Cl5 Cl5A C34 132.6(9) . . ? Cl5 Cl5A C33 80.5(6) . . ? C34 Cl5A C33 52.3(7) . . ? C34A Cl6 C34 47.4(13) . . ? C34 C33 C34A 55.0(15) . . ? C34 C33 Cl5A 61.8(13) . . ? C34A C33 Cl5A 112.1(14) . . ? C34 C33 Cl5 102.2(14) . . ? C34A C33 Cl5 149.0(14) . . ? Cl5A C33 Cl5 40.5(4) . . ? C34A C34 C33 62.8(15) . . ? C34A C34 Cl5A 123(2) . . ? C33 C34 Cl5A 65.9(15) . . ? C34A C34 Cl6 54.5(15) . . ? C33 C34 Cl6 107.5(14) . . ? Cl5A C34 Cl6 171.6(11) . . ? C34 C34A C33 62.2(18) . . ? C34 C34A Cl6 78(2) . . ? C33 C34A Cl6 126(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 C13 Ru1 P1 C3 -173.2(3) . . . . ? C11 Ru1 P1 C3 121.6(4) . . . . ? C15 Ru1 P1 C3 127.8(5) . . . . ? C12 Ru1 P1 C3 150.2(4) . . . . ? C14 Ru1 P1 C3 -162.2(3) . . . . ? P2 Ru1 P1 C3 -59.3(2) . . . . ? Cl1 Ru1 P1 C3 25.2(2) . . . . ? C13 Ru1 P1 C1 67.1(4) . . . . ? C11 Ru1 P1 C1 1.9(4) . . . . ? C15 Ru1 P1 C1 8.1(6) . . . . ? C12 Ru1 P1 C1 30.5(5) . . . . ? C14 Ru1 P1 C1 78.1(4) . . . . ? P2 Ru1 P1 C1 -178.9(3) . . . . ? Cl1 Ru1 P1 C1 -94.5(3) . . . . ? C13 Ru1 P1 C2 -51.4(3) . . . . ? C11 Ru1 P1 C2 -116.6(4) . . . . ? C15 Ru1 P1 C2 -110.4(5) . . . . ? C12 Ru1 P1 C2 -88.0(4) . . . . ? C14 Ru1 P1 C2 -40.4(4) . . . . ? P2 Ru1 P1 C2 62.5(2) . . . . ? Cl1 Ru1 P1 C2 147.0(2) . . . . ? C13 Ru1 P2 C3A -87.9(3) . . . . ? C11 Ru1 P2 C3A -18.0(6) . . . . ? C15 Ru1 P2 C3A -19.6(3) . . . . ? C12 Ru1 P2 C3A -90.4(6) . . . . ? C14 Ru1 P2 C3A -53.3(3) . . . . ? P1 Ru1 P2 C3A 163.6(2) . . . . ? Cl1 Ru1 P2 C3A 73.2(2) . . . . ? C13 Ru1 P2 C2A 28.9(3) . . . . ? C11 Ru1 P2 C2A 98.8(6) . . . . ? C15 Ru1 P2 C2A 97.1(3) . . . . ? C12 Ru1 P2 C2A 26.4(6) . . . . ? C14 Ru1 P2 C2A 63.5(3) . . . . ? P1 Ru1 P2 C2A -79.6(2) . . . . ? Cl1 Ru1 P2 C2A -170.0(2) . . . . ? C13 Ru1 P2 C1AA 156.3(3) . . . . ? C11 Ru1 P2 C1AA -133.8(6) . . . . ? C15 Ru1 P2 C1AA -135.4(4) . . . . ? C12 Ru1 P2 C1AA 153.8(6) . . . . ? C14 Ru1 P2 C1AA -169.1(3) . . . . ? P1 Ru1 P2 C1AA 47.8(3) . . . . ? Cl1 Ru1 P2 C1AA -42.6(3) . . . . ? C22 Ru2 P3 C3C -156.1(4) . . . . ? C24 Ru2 P3 C3C 129.2(5) . . . . ? C25 Ru2 P3 C3C 136.0(3) . . . . ? C21 Ru2 P3 C3C 170.8(4) . . . . ? C23 Ru2 P3 C3C -153.0(4) . . . . ? P4 Ru2 P3 C3C -47.7(3) . . . . ? Cl2 Ru2 P3 C3C 42.9(3) . . . . ? C22 Ru2 P3 C1CC 88.0(4) . . . . ? C24 Ru2 P3 C1CC 13.2(5) . . . . ? C25 Ru2 P3 C1CC 20.1(3) . . . . ? C21 Ru2 P3 C1CC 54.8(4) . . . . ? C23 Ru2 P3 C1CC 91.1(4) . . . . ? P4 Ru2 P3 C1CC -163.6(2) . . . . ? Cl2 Ru2 P3 C1CC -73.0(2) . . . . ? C22 Ru2 P3 C2CC -28.7(4) . . . . ? C24 Ru2 P3 C2CC -103.4(5) . . . . ? C25 Ru2 P3 C2CC -96.5(4) . . . . ? C21 Ru2 P3 C2CC -61.8(5) . . . . ? C23 Ru2 P3 C2CC -25.6(5) . . . . ? P4 Ru2 P3 C2CC 79.7(3) . . . . ? Cl2 Ru2 P3 C2CC 170.3(4) . . . . ? C22 Ru2 P4 C2BB 52.5(4) . . . . ? C24 Ru2 P4 C2BB 119.3(4) . . . . ? C25 Ru2 P4 C2BB 109.2(5) . . . . ? C21 Ru2 P4 C2BB 39.7(4) . . . . ? C23 Ru2 P4 C2BB 86.1(4) . . . . ? P3 Ru2 P4 C2BB -62.6(3) . . . . ? Cl2 Ru2 P4 C2BB -146.9(3) . . . . ? C22 Ru2 P4 C3B 173.6(4) . . . . ? C24 Ru2 P4 C3B -119.7(4) . . . . ? C25 Ru2 P4 C3B -129.7(5) . . . . ? C21 Ru2 P4 C3B 160.8(4) . . . . ? C23 Ru2 P4 C3B -152.8(4) . . . . ? P3 Ru2 P4 C3B 58.5(3) . . . . ? Cl2 Ru2 P4 C3B -25.8(3) . . . . ? C22 Ru2 P4 C1BB -67.1(4) . . . . ? C24 Ru2 P4 C1BB -0.4(4) . . . . ? C25 Ru2 P4 C1BB -10.4(6) . . . . ? C21 Ru2 P4 C1BB -79.9(5) . . . . ? C23 Ru2 P4 C1BB -33.5(4) . . . . ? P3 Ru2 P4 C1BB 177.8(3) . . . . ? Cl2 Ru2 P4 C1BB 93.5(3) . . . . ? C13 Ru1 C11 C12 -36.6(5) . . . . ? C15 Ru1 C11 C12 -117.8(7) . . . . ? C14 Ru1 C11 C12 -79.4(5) . . . . ? P1 Ru1 C11 C12 58.0(5) . . . . ? P2 Ru1 C11 C12 -120.3(8) . . . . ? Cl1 Ru1 C11 C12 151.4(5) . . . . ? C13 Ru1 C11 C1A -163.5(17) . . . . ? C15 Ru1 C11 C1A 115.3(18) . . . . ? C12 Ru1 C11 C1A -126.9(18) . . . . ? C14 Ru1 C11 C1A 153.7(17) . . . . ? P1 Ru1 C11 C1A -68.9(16) . . . . ? P2 Ru1 C11 C1A 112.9(14) . . . . ? Cl1 Ru1 C11 C1A 24.6(16) . . . . ? C13 Ru1 C11 C15 81.2(5) . . . . ? C12 Ru1 C11 C15 117.8(7) . . . . ? C14 Ru1 C11 C15 38.4(4) . . . . ? P1 Ru1 C11 C15 175.8(4) . . . . ? P2 Ru1 C11 C15 -2.5(9) . . . . ? Cl1 Ru1 C11 C15 -90.8(4) . . . . ? C1A C11 C12 C13 -179.0(7) . . . . ? C15 C11 C12 C13 -3.0(8) . . . . ? Ru1 C11 C12 C13 59.7(5) . . . . ? C1A C11 C12 C1B -8.3(14) . . . . ? C15 C11 C12 C1B 167.7(7) . . . . ? Ru1 C11 C12 C1B -129.6(8) . . . . ? C1A C11 C12 Ru1 121.3(9) . . . . ? C15 C11 C12 Ru1 -62.7(4) . . . . ? C13 Ru1 C12 C11 120.7(7) . . . . ? C15 Ru1 C12 C11 39.4(5) . . . . ? C14 Ru1 C12 C11 81.2(6) . . . . ? P1 Ru1 C12 C11 -129.9(5) . . . . ? P2 Ru1 C12 C11 124.6(8) . . . . ? Cl1 Ru1 C12 C11 -35.5(6) . . . . ? C11 Ru1 C12 C13 -120.7(7) . . . . ? C15 Ru1 C12 C13 -81.2(5) . . . . ? C14 Ru1 C12 C13 -39.4(4) . . . . ? P1 Ru1 C12 C13 109.4(5) . . . . ? P2 Ru1 C12 C13 3.9(9) . . . . ? Cl1 Ru1 C12 C13 -156.1(4) . . . . ? C13 Ru1 C12 C1B -106.8(15) . . . . ? C11 Ru1 C12 C1B 132.5(15) . . . . ? C15 Ru1 C12 C1B 172.0(14) . . . . ? C14 Ru1 C12 C1B -146.2(14) . . . . ? P1 Ru1 C12 C1B 2.6(13) . . . . ? P2 Ru1 C12 C1B -102.9(11) . . . . ? Cl1 Ru1 C12 C1B 97.1(13) . . . . ? C11 C12 C13 C14 4.8(8) . . . . ? C1B C12 C13 C14 -167.7(6) . . . . ? Ru1 C12 C13 C14 65.5(4) . . . . ? C11 C12 C13 C1C 172.4(7) . . . . ? C1B C12 C13 C1C -0.1(11) . . . . ? Ru1 C12 C13 C1C -126.9(8) . . . . ? C11 C12 C13 Ru1 -60.7(5) . . . . ? C1B C12 C13 Ru1 126.8(6) . . . . ? C11 Ru1 C13 C12 33.5(5) . . . . ? C15 Ru1 C13 C12 78.2(6) . . . . ? C14 Ru1 C13 C12 113.6(7) . . . . ? P1 Ru1 C13 C12 -77.5(5) . . . . ? P2 Ru1 C13 C12 -177.8(5) . . . . ? Cl1 Ru1 C13 C12 53.1(8) . . . . ? C11 Ru1 C13 C14 -80.1(5) . . . . ? C15 Ru1 C13 C14 -35.4(4) . . . . ? C12 Ru1 C13 C14 -113.6(7) . . . . ? P1 Ru1 C13 C14 168.8(4) . . . . ? P2 Ru1 C13 C14 68.5(4) . . . . ? Cl1 Ru1 C13 C14 -60.6(8) . . . . ? C11 Ru1 C13 C1C 161.5(12) . . . . ? C15 Ru1 C13 C1C -153.8(12) . . . . ? C12 Ru1 C13 C1C 128.0(13) . . . . ? C14 Ru1 C13 C1C -118.4(13) . . . . ? P1 Ru1 C13 C1C 50.4(11) . . . . ? P2 Ru1 C13 C1C -49.9(11) . . . . ? Cl1 Ru1 C13 C1C -179.0(9) . . . . ? C12 C13 C14 C15 -4.8(7) . . . . ? C1C C13 C14 C15 -173.6(7) . . . . ? Ru1 C13 C14 C15 60.5(4) . . . . ? C12 C13 C14 C1D 165.8(6) . . . . ? C1C C13 C14 C1D -3.0(10) . . . . ? Ru1 C13 C14 C1D -128.9(6) . . . . ? C12 C13 C14 Ru1 -65.3(4) . . . . ? C1C C13 C14 Ru1 125.9(8) . . . . ? C13 Ru1 C14 C15 -120.0(6) . . . . ? C11 Ru1 C14 C15 -41.3(5) . . . . ? C12 Ru1 C14 C15 -80.5(6) . . . . ? P1 Ru1 C14 C15 -137.6(4) . . . . ? P2 Ru1 C14 C15 120.1(4) . . . . ? Cl1 Ru1 C14 C15 33.2(5) . . . . ? C11 Ru1 C14 C13 78.7(6) . . . . ? C15 Ru1 C14 C13 120.0(6) . . . . ? C12 Ru1 C14 C13 39.5(6) . . . . ? P1 Ru1 C14 C13 -17.7(6) . . . . ? P2 Ru1 C14 C13 -120.0(4) . . . . ? Cl1 Ru1 C14 C13 153.1(4) . . . . ? C13 Ru1 C14 C1D 112.8(11) . . . . ? C11 Ru1 C14 C1D -168.5(11) . . . . ? C15 Ru1 C14 C1D -127.2(11) . . . . ? C12 Ru1 C14 C1D 152.3(11) . . . . ? P1 Ru1 C14 C1D 95.2(9) . . . . ? P2 Ru1 C14 C1D -7.1(9) . . . . ? Cl1 Ru1 C14 C1D -94.1(9) . . . . ? C13 C14 C15 C11 3.0(6) . . . . ? C1D C14 C15 C11 -166.4(6) . . . . ? Ru1 C14 C15 C11 62.7(4) . . . . ? C13 C14 C15 C1E 175.5(6) . . . . ? C1D C14 C15 C1E 6.1(10) . . . . ? Ru1 C14 C15 C1E -124.8(6) . . . . ? C13 C14 C15 Ru1 -59.7(4) . . . . ? C1D C14 C15 Ru1 130.9(7) . . . . ? C12 C11 C15 C14 0.0(7) . . . . ? C1A C11 C15 C14 176.4(6) . . . . ? Ru1 C11 C15 C14 -64.5(4) . . . . ? C12 C11 C15 C1E -171.8(7) . . . . ? C1A C11 C15 C1E 4.6(10) . . . . ? Ru1 C11 C15 C1E 123.7(7) . . . . ? C12 C11 C15 Ru1 64.5(5) . . . . ? C1A C11 C15 Ru1 -119.1(7) . . . . ? C13 Ru1 C15 C14 36.3(4) . . . . ? C11 Ru1 C15 C14 113.2(6) . . . . ? C12 Ru1 C15 C14 78.8(5) . . . . ? P1 Ru1 C15 C14 104.3(6) . . . . ? P2 Ru1 C15 C14 -68.1(4) . . . . ? Cl1 Ru1 C15 C14 -153.9(4) . . . . ? C13 Ru1 C15 C11 -76.9(5) . . . . ? C12 Ru1 C15 C11 -34.4(5) . . . . ? C14 Ru1 C15 C11 -113.2(6) . . . . ? P1 Ru1 C15 C11 -8.9(8) . . . . ? P2 Ru1 C15 C11 178.7(5) . . . . ? Cl1 Ru1 C15 C11 92.9(5) . . . . ? C13 Ru1 C15 C1E 156.1(12) . . . . ? C11 Ru1 C15 C1E -126.9(13) . . . . ? C12 Ru1 C15 C1E -161.4(12) . . . . ? C14 Ru1 C15 C1E 119.9(12) . . . . ? P1 Ru1 C15 C1E -135.8(9) . . . . ? P2 Ru1 C15 C1E 51.8(11) . . . . ? Cl1 Ru1 C15 C1E -34.1(11) . . . . ? C24 Ru2 C21 C22 -80.2(5) . . . . ? C25 Ru2 C21 C22 -117.9(7) . . . . ? C23 Ru2 C21 C22 -35.8(4) . . . . ? P3 Ru2 C21 C22 122.6(5) . . . . ? P4 Ru2 C21 C22 20.9(7) . . . . ? Cl2 Ru2 C21 C22 -150.7(4) . . . . ? C22 Ru2 C21 C25 117.9(7) . . . . ? C24 Ru2 C21 C25 37.7(5) . . . . ? C23 Ru2 C21 C25 82.1(5) . . . . ? P3 Ru2 C21 C25 -119.5(5) . . . . ? P4 Ru2 C21 C25 138.8(5) . . . . ? Cl2 Ru2 C21 C25 -32.8(6) . . . . ? C22 Ru2 C21 C2AA -122.1(18) . . . . ? C24 Ru2 C21 C2AA 157.7(17) . . . . ? C25 Ru2 C21 C2AA 120.0(18) . . . . ? C23 Ru2 C21 C2AA -157.9(17) . . . . ? P3 Ru2 C21 C2AA 0.5(16) . . . . ? P4 Ru2 C21 C2AA -101.2(15) . . . . ? Cl2 Ru2 C21 C2AA 87.2(16) . . . . ? C25 C21 C22 C23 6.6(10) . . . . ? C2AA C21 C22 C23 -163.2(10) . . . . ? Ru2 C21 C22 C23 67.8(7) . . . . ? C25 C21 C22 C2B 172.2(7) . . . . ? C2AA C21 C22 C2B 2.4(14) . . . . ? Ru2 C21 C22 C2B -126.6(8) . . . . ? C25 C21 C22 Ru2 -61.2(6) . . . . ? C2AA C21 C22 Ru2 129.0(10) . . . . ? C24 Ru2 C22 C23 -37.1(4) . . . . ? C25 Ru2 C22 C23 -79.7(5) . . . . ? C21 Ru2 C22 C23 -117.1(7) . . . . ? P3 Ru2 C22 C23 177.1(4) . . . . ? P4 Ru2 C22 C23 76.5(4) . . . . ? Cl2 Ru2 C22 C23 -52.4(10) . . . . ? C24 Ru2 C22 C21 80.0(5) . . . . ? C25 Ru2 C22 C21 37.4(5) . . . . ? C23 Ru2 C22 C21 117.1(7) . . . . ? P3 Ru2 C22 C21 -65.8(5) . . . . ? P4 Ru2 C22 C21 -166.4(5) . . . . ? Cl2 Ru2 C22 C21 64.7(10) . . . . ? C24 Ru2 C22 C2B -155.7(14) . . . . ? C25 Ru2 C22 C2B 161.7(14) . . . . ? C21 Ru2 C22 C2B 124.3(15) . . . . ? C23 Ru2 C22 C2B -118.6(15) . . . . ? P3 Ru2 C22 C2B 58.5(13) . . . . ? P4 Ru2 C22 C2B -42.1(13) . . . . ? Cl2 Ru2 C22 C2B -171.0(10) . . . . ? C21 C22 C23 C24 -8.6(9) . . . . ? C2B C22 C23 C24 -175.1(8) . . . . ? Ru2 C22 C23 C24 57.7(5) . . . . ? C21 C22 C23 C2C 169.3(9) . . . . ? C2B C22 C23 C2C 2.8(16) . . . . ? Ru2 C22 C23 C2C -124.4(10) . . . . ? C21 C22 C23 Ru2 -66.3(6) . . . . ? C2B C22 C23 Ru2 127.2(9) . . . . ? C24 Ru2 C23 C22 120.9(7) . . . . ? C25 Ru2 C23 C22 81.2(6) . . . . ? C21 Ru2 C23 C22 38.0(6) . . . . ? P3 Ru2 C23 C22 -5.0(6) . . . . ? P4 Ru2 C23 C22 -109.8(5) . . . . ? Cl2 Ru2 C23 C22 155.1(5) . . . . ? C22 Ru2 C23 C24 -120.9(7) . . . . ? C25 Ru2 C23 C24 -39.7(4) . . . . ? C21 Ru2 C23 C24 -82.9(5) . . . . ? P3 Ru2 C23 C24 -126.0(4) . . . . ? P4 Ru2 C23 C24 129.3(4) . . . . ? Cl2 Ru2 C23 C24 34.2(5) . . . . ? C22 Ru2 C23 C2C 136.4(13) . . . . ? C24 Ru2 C23 C2C -102.7(13) . . . . ? C25 Ru2 C23 C2C -142.4(13) . . . . ? C21 Ru2 C23 C2C 174.4(13) . . . . ? P3 Ru2 C23 C2C 131.3(12) . . . . ? P4 Ru2 C23 C2C 26.6(12) . . . . ? Cl2 Ru2 C23 C2C -68.5(12) . . . . ? C22 C23 C24 C25 7.1(9) . . . . ? C2C C23 C24 C25 -171.4(7) . . . . ? Ru2 C23 C24 C25 64.9(5) . . . . ? C22 C23 C24 C2D 179.9(9) . . . . ? C2C C23 C24 C2D 1.4(12) . . . . ? Ru2 C23 C24 C2D -122.3(9) . . . . ? C22 C23 C24 Ru2 -57.8(6) . . . . ? C2C C23 C24 Ru2 123.7(7) . . . . ? C22 Ru2 C24 C25 -79.2(5) . . . . ? C21 Ru2 C24 C25 -37.7(5) . . . . ? C23 Ru2 C24 C25 -112.4(6) . . . . ? P3 Ru2 C24 C25 10.5(7) . . . . ? P4 Ru2 C24 C25 -173.0(4) . . . . ? Cl2 Ru2 C24 C25 94.4(4) . . . . ? C22 Ru2 C24 C23 33.3(5) . . . . ? C25 Ru2 C24 C23 112.4(6) . . . . ? C21 Ru2 C24 C23 74.8(6) . . . . ? P3 Ru2 C24 C23 123.0(5) . . . . ? P4 Ru2 C24 C23 -60.5(5) . . . . ? Cl2 Ru2 C24 C23 -153.2(4) . . . . ? C22 Ru2 C24 C2D 157.1(12) . . . . ? C25 Ru2 C24 C2D -123.7(13) . . . . ? C21 Ru2 C24 C2D -161.4(12) . . . . ? C23 Ru2 C24 C2D 123.9(12) . . . . ? P3 Ru2 C24 C2D -113.2(10) . . . . ? P4 Ru2 C24 C2D 63.3(11) . . . . ? Cl2 Ru2 C24 C2D -29.3(11) . . . . ? C23 C24 C25 C21 -3.0(9) . . . . ? C2D C24 C25 C21 -175.8(9) . . . . ? Ru2 C24 C25 C21 62.4(6) . . . . ? C23 C24 C25 C2E 172.6(8) . . . . ? C2D C24 C25 C2E -0.2(14) . . . . ? Ru2 C24 C25 C2E -121.9(8) . . . . ? C23 C24 C25 Ru2 -65.4(4) . . . . ? C2D C24 C25 Ru2 121.8(10) . . . . ? C22 C21 C25 C24 -1.8(9) . . . . ? C2AA C21 C25 C24 168.3(8) . . . . ? Ru2 C21 C25 C24 -62.1(5) . . . . ? C22 C21 C25 C2E -176.9(10) . . . . ? C2AA C21 C25 C2E -6.8(15) . . . . ? Ru2 C21 C25 C2E 122.9(11) . . . . ? C22 C21 C25 Ru2 60.3(6) . . . . ? C2AA C21 C25 Ru2 -129.6(8) . . . . ? C22 Ru2 C25 C24 80.4(6) . . . . ? C21 Ru2 C25 C24 117.0(7) . . . . ? C23 Ru2 C25 C24 41.0(5) . . . . ? P3 Ru2 C25 C24 -174.2(4) . . . . ? P4 Ru2 C25 C24 14.7(7) . . . . ? Cl2 Ru2 C25 C24 -88.3(4) . . . . ? C22 Ru2 C25 C21 -36.6(5) . . . . ? C24 Ru2 C25 C21 -117.0(7) . . . . ? C23 Ru2 C25 C21 -76.0(6) . . . . ? P3 Ru2 C25 C21 68.9(5) . . . . ? P4 Ru2 C25 C21 -102.3(6) . . . . ? Cl2 Ru2 C25 C21 154.7(5) . . . . ? C22 Ru2 C25 C2E -164.3(12) . . . . ? C24 Ru2 C25 C2E 115.4(12) . . . . ? C21 Ru2 C25 C2E -127.6(13) . . . . ? C23 Ru2 C25 C2E 156.4(12) . . . . ? P3 Ru2 C25 C2E -58.8(11) . . . . ? P4 Ru2 C25 C2E 130.0(11) . . . . ? Cl2 Ru2 C25 C2E 27.0(11) . . . . ? C4 N1 C1 P1 -58.0(8) . . . . ? C5 N1 C1 P1 61.9(7) . . . . ? C3 P1 C1 N1 46.4(6) . . . . ? C2 P1 C1 N1 -51.7(6) . . . . ? Ru1 P1 C1 N1 178.0(5) . . . . ? C5 N2 C2 P1 -62.4(7) . . . . ? C6 N2 C2 P1 60.2(6) . . . . ? C3 P1 C2 N2 -46.4(5) . . . . ? C1 P1 C2 N2 50.0(5) . . . . ? Ru1 P1 C2 N2 -179.1(3) . . . . ? C4 N3 C3 P1 61.5(6) . . . . ? C6 N3 C3 P1 -57.6(6) . . . . ? C1 P1 C3 N3 -50.1(5) . . . . ? C2 P1 C3 N3 46.0(5) . . . . ? Ru1 P1 C3 N3 178.3(3) . . . . ? C1 N1 C4 N3 64.4(7) . . . . ? C5 N1 C4 N3 -54.8(6) . . . . ? C3 N3 C4 N1 -65.6(7) . . . . ? C6 N3 C4 N1 54.7(6) . . . . ? C2 N2 C5 N1 68.5(7) . . . . ? C6 N2 C5 N1 -54.9(7) . . . . ? C4 N1 C5 N2 55.3(7) . . . . ? C1 N1 C5 N2 -67.5(7) . . . . ? C5 N2 C6 N3 55.2(6) . . . . ? C2 N2 C6 N3 -68.5(7) . . . . ? C3 N3 C6 N2 66.8(7) . . . . ? C4 N3 C6 N2 -53.6(6) . . . . ? C4A N4 C1AA P2 61.7(6) . . . . ? C5A N4 C1AA P2 -61.2(6) . . . . ? C3A P2 C1AA N4 48.9(6) . . . . ? C2A P2 C1AA N4 -49.1(5) . . . . ? Ru1 P2 C1AA N4 172.9(4) . . . . ? C6A N6 C2A P2 59.1(5) . . . . ? C4A N6 C2A P2 -61.1(5) . . . . ? C3A P2 C2A N6 -47.2(4) . . . . ? C1AA P2 C2A N6 49.6(4) . . . . ? Ru1 P2 C2A N6 -171.8(3) . . . . ? C6A N5 C3A P2 -58.4(6) . . . . ? C5A N5 C3A P2 60.6(6) . . . . ? C2A P2 C3A N5 47.8(5) . . . . ? C1AA P2 C3A N5 -49.6(5) . . . . ? Ru1 P2 C3A N5 178.9(4) . . . . ? C5A N4 C4A N6 55.4(7) . . . . ? C1AA N4 C4A N6 -68.7(7) . . . . ? C6A N6 C4A N4 -53.9(6) . . . . ? C2A N6 C4A N4 67.6(7) . . . . ? C6A N5 C5A N4 54.8(7) . . . . ? C3A N5 C5A N4 -65.9(8) . . . . ? C4A N4 C5A N5 -56.7(7) . . . . ? C1AA N4 C5A N5 67.7(7) . . . . ? C5A N5 C6A N6 -54.7(7) . . . . ? C3A N5 C6A N6 66.2(6) . . . . ? C4A N6 C6A N5 54.3(6) . . . . ? C2A N6 C6A N5 -67.1(6) . . . . ? C5B N7 C1BB P4 -61.7(7) . . . . ? C4B N7 C1BB P4 61.8(8) . . . . ? C2BB P4 C1BB N7 48.1(6) . . . . ? C3B P4 C1BB N7 -50.9(6) . . . . ? Ru2 P4 C1BB N7 178.2(4) . . . . ? C6B N8 C2BB P4 -57.1(8) . . . . ? C5B N8 C2BB P4 58.6(7) . . . . ? C3B P4 C2BB N8 47.5(6) . . . . ? C1BB P4 C2BB N8 -49.5(6) . . . . ? Ru2 P4 C2BB N8 179.2(4) . . . . ? C6B N9 C3B P4 58.2(7) . . . . ? C4B N9 C3B P4 -63.0(7) . . . . ? C2BB P4 C3B N9 -46.8(6) . . . . ? C1BB P4 C3B N9 51.0(6) . . . . ? Ru2 P4 C3B N9 -177.7(4) . . . . ? C6B N9 C4B N7 -53.7(9) . . . . ? C3B N9 C4B N7 69.1(10) . . . . ? C5B N7 C4B N9 54.7(10) . . . . ? C1BB N7 C4B N9 -68.9(10) . . . . ? C4B N7 C5B N8 -52.9(8) . . . . ? C1BB N7 C5B N8 69.8(7) . . . . ? C6B N8 C5B N7 50.4(8) . . . . ? C2BB N8 C5B N7 -68.0(7) . . . . ? C4B N9 C6B N8 55.2(7) . . . . ? C3B N9 C6B N8 -66.7(7) . . . . ? C2BB N8 C6B N9 65.8(8) . . . . ? C5B N8 C6B N9 -51.4(8) . . . . ? C6C N10 C1CC P3 -61.5(6) . . . . ? C4C N10 C1CC P3 59.3(6) . . . . ? C3C P3 C1CC N10 49.3(5) . . . . ? C2CC P3 C1CC N10 -47.1(5) . . . . ? Ru2 P3 C1CC N10 -178.5(4) . . . . ? C5C N11 C2CC P3 60.0(8) . . . . ? C4C N11 C2CC P3 -60.4(8) . . . . ? C3C P3 C2CC N11 -48.6(7) . . . . ? C1CC P3 C2CC N11 48.0(7) . . . . ? Ru2 P3 C2CC N11 172.2(5) . . . . ? C6C N12 C3C P3 57.8(7) . . . . ? C5C N12 C3C P3 -59.6(6) . . . . ? C1CC P3 C3C N12 -47.7(5) . . . . ? C2CC P3 C3C N12 50.1(5) . . . . ? Ru2 P3 C3C N12 -171.5(4) . . . . ? C5C N11 C4C N10 -54.7(7) . . . . ? C2CC N11 C4C N10 68.0(8) . . . . ? C6C N10 C4C N11 54.7(7) . . . . ? C1CC N10 C4C N11 -67.4(7) . . . . ? C2CC N11 C5C N12 -66.5(7) . . . . ? C4C N11 C5C N12 55.5(7) . . . . ? C6C N12 C5C N11 -55.2(7) . . . . ? C3C N12 C5C N11 65.0(7) . . . . ? C3C N12 C6C N10 -64.2(7) . . . . ? C5C N12 C6C N10 53.9(7) . . . . ? C1CC N10 C6C N12 66.6(7) . . . . ? C4C N10 C6C N12 -55.3(7) . . . . ? C31 Cl3 Cl3A C31A 21.2(13) . . . . ? C31 Cl3 Cl3A C32 12.1(12) . . . . ? C32 Cl4 Cl4A C31A -21.7(19) . . . . ? C31A Cl4 Cl4A C32 21.7(19) . . . . ? Cl3A Cl3 C31 C32 -38(3) . . . . ? Cl3A Cl3 C31 C31A -24.3(12) . . . . ? Cl3 Cl3A C31 C32 155(2) . . . . ? C31A Cl3A C31 C32 1(2) . . . . ? Cl3 Cl3A C31 C31A 153.8(15) . . . . ? C32 Cl3A C31 C31A -1(2) . . . . ? C31A Cl3A C31 Cl3 -153.8(15) . . . . ? C32 Cl3A C31 Cl3 -155(2) . . . . ? Cl3 C31 C32 C31A 26(5) . . . . ? Cl3A C31 C32 C31A -1(4) . . . . ? C31A C31 C32 Cl4 128(6) . . . . ? Cl3 C31 C32 Cl4 154(4) . . . . ? Cl3A C31 C32 Cl4 127(5) . . . . ? C31A C31 C32 Cl4A 77(3) . . . . ? Cl3 C31 C32 Cl4A 102(4) . . . . ? Cl3A C31 C32 Cl4A 75(4) . . . . ? C31A C31 C32 Cl3A 1(4) . . . . ? Cl3 C31 C32 Cl3A 26.9(18) . . . . ? Cl4A Cl4 C32 C31A 53(3) . . . . ? Cl4A Cl4 C32 C31 -77(5) . . . . ? C31A Cl4 C32 C31 -130(7) . . . . ? C31A Cl4 C32 Cl4A -53(3) . . . . ? Cl4A Cl4 C32 Cl3A 28(3) . . . . ? C31A Cl4 C32 Cl3A -25(2) . . . . ? Cl4 Cl4A C32 C31A -123(5) . . . . ? Cl4 Cl4A C32 C31 145(5) . . . . ? C31A Cl4A C32 C31 -91(5) . . . . ? C31A Cl4A C32 Cl4 123(5) . . . . ? Cl4 Cl4A C32 Cl3A -161(2) . . . . ? C31A Cl4A C32 Cl3A -38(3) . . . . ? Cl3 Cl3A C32 C31A 155(4) . . . . ? C31 Cl3A C32 C31A 178(5) . . . . ? Cl3 Cl3A C32 C31 -23(2) . . . . ? C31A Cl3A C32 C31 -178(5) . . . . ? Cl3 Cl3A C32 Cl4 -171(3) . . . . ? C31A Cl3A C32 Cl4 34(3) . . . . ? C31 Cl3A C32 Cl4 -148(5) . . . . ? Cl3 Cl3A C32 Cl4A -153.6(14) . . . . ? C31A Cl3A C32 Cl4A 51(3) . . . . ? C31 Cl3A C32 Cl4A -131(3) . . . . ? Cl4 C32 C31A C31 -159(4) . . . . ? Cl4A C32 C31A C31 -128(3) . . . . ? Cl3A C32 C31A C31 -1(4) . . . . ? C31 C32 C31A Cl3A 1(4) . . . . ? Cl4 C32 C31A Cl3A -157.9(18) . . . . ? Cl4A C32 C31A Cl3A -127(2) . . . . ? C31 C32 C31A Cl4 159(4) . . . . ? Cl4A C32 C31A Cl4 30.9(16) . . . . ? Cl3A C32 C31A Cl4 157.9(18) . . . . ? C31 C32 C31A Cl4A 128(3) . . . . ? Cl4 C32 C31A Cl4A -30.9(16) . . . . ? Cl3A C32 C31A Cl4A 127(2) . . . . ? Cl3 C31 C31A C32 -162(4) . . . . ? Cl3A C31 C31A C32 178(4) . . . . ? C32 C31 C31A Cl3A -178(4) . . . . ? Cl3 C31 C31A Cl3A 19.4(10) . . . . ? C32 C31 C31A Cl4 -18(4) . . . . ? Cl3 C31 C31A Cl4 -180.0(10) . . . . ? Cl3A C31 C31A Cl4 160.6(15) . . . . ? C32 C31 C31A Cl4A -57(4) . . . . ? Cl3 C31 C31A Cl4A 141(2) . . . . ? Cl3A C31 C31A Cl4A 122(2) . . . . ? Cl3 Cl3A C31A C32 -26(4) . . . . ? C31 Cl3A C31A C32 -1(3) . . . . ? Cl3 Cl3A C31A C31 -25.3(14) . . . . ? C32 Cl3A C31A C31 1(3) . . . . ? Cl3 Cl3A C31A Cl4 -85(5) . . . . ? C31 Cl3A C31A Cl4 -60(5) . . . . ? C32 Cl3A C31A Cl4 -59(6) . . . . ? Cl3 Cl3A C31A Cl4A -124.8(19) . . . . ? C31 Cl3A C31A Cl4A -100(3) . . . . ? C32 Cl3A C31A Cl4A -98(5) . . . . ? Cl4A Cl4 C31A C32 -124(4) . . . . ? Cl4A Cl4 C31A C31 -109.8(14) . . . . ? C32 Cl4 C31A C31 15(3) . . . . ? Cl4A Cl4 C31A Cl3A -56(5) . . . . ? C32 Cl4 C31A Cl3A 68(6) . . . . ? C32 Cl4 C31A Cl4A 124(4) . . . . ? Cl4 Cl4A C31A C32 45(4) . . . . ? Cl4 Cl4A C31A C31 81(2) . . . . ? C32 Cl4A C31A C31 36(3) . . . . ? Cl4 Cl4A C31A Cl3A 157(3) . . . . ? C32 Cl4A C31A Cl3A 112(5) . . . . ? C32 Cl4A C31A Cl4 -45(4) . . . . ? C33 Cl5 Cl5A C34 -5.1(13) . . . . ? Cl5 Cl5A C33 C34 -175.3(12) . . . . ? Cl5 Cl5A C33 C34A 161.6(13) . . . . ? C34 Cl5A C33 C34A -23.2(15) . . . . ? C34 Cl5A C33 Cl5 175.3(12) . . . . ? Cl5A Cl5 C33 C34 4.3(11) . . . . ? Cl5A Cl5 C33 C34A -35(2) . . . . ? Cl5A C33 C34 C34A -153.5(19) . . . . ? Cl5 C33 C34 C34A -156.7(16) . . . . ? C34A C33 C34 Cl5A 153.5(19) . . . . ? Cl5 C33 C34 Cl5A -3.1(8) . . . . ? C34A C33 C34 Cl6 -32.0(14) . . . . ? Cl5A C33 C34 Cl6 174.4(15) . . . . ? Cl5 C33 C34 Cl6 171.3(8) . . . . ? Cl5 Cl5A C34 C34A 34(3) . . . . ? C33 Cl5A C34 C34A 28.1(19) . . . . ? Cl5 Cl5A C34 C33 6.4(16) . . . . ? Cl5 Cl5A C34 Cl6 -33(11) . . . . ? C33 Cl5A C34 Cl6 -39(10) . . . . ? C34A Cl6 C34 C33 35.4(19) . . . . ? C34A Cl6 C34 Cl5A 73(11) . . . . ? Cl5A C34 C34A C33 -28.9(18) . . . . ? Cl6 C34 C34A C33 141.6(18) . . . . ? C33 C34 C34A Cl6 -141.6(18) . . . . ? Cl5A C34 C34A Cl6 -170.5(15) . . . . ? Cl5A C33 C34A C34 25.1(19) . . . . ? Cl5 C33 C34A C34 49(3) . . . . ? C34 C33 C34A Cl6 48(2) . . . . ? Cl5A C33 C34A Cl6 73(3) . . . . ? Cl5 C33 C34A Cl6 97(3) . . . . ? C34 Cl6 C34A C33 -42.6(19) . . . . ? _refine_diff_density_max 0.770 _refine_diff_density_min -1.110 _refine_diff_density_rms 0.114 #====================================================================== _eof # 'End of Crystallographic Information File' #===