# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name 'Yu, Guang-Ao' _publ_contact_author_email yuguang@mail.ccnu.edu.cn loop_ _publ_author_name 'Jia Yuan' 'Yue Sun' 'Guang-Ao Yu' 'Cui Zhao' 'Neng-Fang She' ; Shu-Lan Mao ; 'Peng-Shou Huang' 'Zhi-Jun Han' 'Jun Yin' 'Shenghua Liu' data_110418em _database_code_depnum_ccdc_archive 'CCDC 869889' #TrackingRef '- 110418em.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C32 H45 Cl4 P Ru' _chemical_formula_weight 703.52 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' 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' _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 10.1510(6) _cell_length_b 12.7461(8) _cell_length_c 14.9409(9) _cell_angle_alpha 109.5200(10) _cell_angle_beta 93.6390(10) _cell_angle_gamma 101.4450(10) _cell_volume 1768.09(19) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 7785 _cell_measurement_theta_min 2.37 _cell_measurement_theta_max 26.90 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas 0 _exptl_crystal_density_diffrn 1.321 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 728 _exptl_absorpt_coefficient_mu 0.810 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.8814 _exptl_absorpt_correction_T_max 0.9234 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 'CCD area detector' _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 6578 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0362 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.84 _diffrn_reflns_theta_max 25.50 _reflns_number_total 6578 _reflns_number_gt 5447 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker 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^)+(0.0803P)^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 6578 _refine_ls_number_parameters 428 _refine_ls_number_restraints 19 _refine_ls_R_factor_all 0.0487 _refine_ls_R_factor_gt 0.0405 _refine_ls_wR_factor_ref 0.1193 _refine_ls_wR_factor_gt 0.1157 _refine_ls_goodness_of_fit_ref 1.013 _refine_ls_restrained_S_all 1.014 _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 C1 C 0.8277(4) 0.7051(3) 0.6332(3) 0.0552(9) Uani 1 1 d . . . C2 C 0.7169(4) 0.6516(4) 0.5589(3) 0.0633(10) Uani 1 1 d . . . H2 H 0.6427 0.6905 0.5585 0.076 Uiso 1 1 calc R . . C3 C 0.6954(4) 0.5386(4) 0.5003(2) 0.0663(11) Uani 1 1 d . . . H3 H 0.6076 0.5011 0.4596 0.080 Uiso 1 1 calc R . . C4 C 0.7850(4) 0.4694(3) 0.5118(2) 0.0594(9) Uani 1 1 d . . . C5 C 0.8977(3) 0.5223(3) 0.5848(2) 0.0510(8) Uani 1 1 d . . . H5 H 0.9531 0.4749 0.6014 0.061 Uiso 1 1 calc R . . C6 C 0.9157(3) 0.6367(3) 0.6446(2) 0.0507(8) Uani 1 1 d . . . H6 H 0.9837 0.6666 0.7021 0.061 Uiso 1 1 calc R . . C7 C 0.8620(5) 0.8316(4) 0.6920(3) 0.0810(12) Uani 1 1 d . . . H7 H 0.9018 0.8395 0.7561 0.097 Uiso 1 1 calc R . . C8 C 0.9694(6) 0.8934(5) 0.6525(4) 0.118(2) Uani 1 1 d . . . H8A H 1.0445 0.8573 0.6461 0.178 Uiso 1 1 calc R . . H8B H 0.9996 0.9715 0.6952 0.178 Uiso 1 1 calc R . . H8C H 0.9335 0.8913 0.5908 0.178 Uiso 1 1 calc R . . C9 C 0.7459(7) 0.8884(5) 0.7056(6) 0.137(2) Uani 1 1 d . . . H9A H 0.7002 0.8788 0.6441 0.206 Uiso 1 1 calc R . . H9B H 0.7792 0.9686 0.7419 0.206 Uiso 1 1 calc R . . H9C H 0.6836 0.8545 0.7394 0.206 Uiso 1 1 calc R . . C10 C 0.7615(5) 0.3482(4) 0.4491(3) 0.0860(14) Uani 1 1 d . . . H10A H 0.7850 0.3439 0.3870 0.129 Uiso 1 1 calc R . . H10B H 0.6675 0.3113 0.4430 0.129 Uiso 1 1 calc R . . H10C H 0.8167 0.3106 0.4767 0.129 Uiso 1 1 calc R . . C11 C 0.8587(8) 0.6755(6) 0.8967(5) 0.049(2) Uani 0.59 1 d PD A 1 H11 H 0.9375 0.7157 0.8769 0.059 Uiso 0.59 1 calc PR A 1 C12 C 0.7598(7) 0.7530(5) 0.9132(4) 0.0584(15) Uani 0.59 1 d PD A 1 H12A H 0.7293 0.7591 0.8527 0.070 Uiso 0.59 1 calc PR A 1 H12B H 0.6810 0.7186 0.9358 0.070 Uiso 0.59 1 calc PR A 1 C13 C 0.8214(12) 0.8709(9) 0.9848(7) 0.062(3) Uani 0.59 1 d PD A 1 H13A H 0.7526 0.9152 0.9944 0.075 Uiso 0.59 1 calc PR A 1 H13B H 0.8934 0.9085 0.9585 0.075 Uiso 0.59 1 calc PR A 1 C14 C 0.8783(10) 0.8711(10) 1.0803(7) 0.075(3) Uani 0.59 1 d PD A 1 H14A H 0.8044 0.8471 1.1125 0.091 Uiso 0.59 1 calc PR A 1 H14B H 0.9267 0.9481 1.1201 0.091 Uiso 0.59 1 calc PR A 1 C15 C 0.9740(8) 0.7912(9) 1.0684(5) 0.075(2) Uani 0.59 1 d PD A 1 H15A H 1.0559 0.8232 1.0474 0.090 Uiso 0.59 1 calc PR A 1 H15B H 0.9994 0.7853 1.1299 0.090 Uiso 0.59 1 calc PR A 1 C16 C 0.9103(17) 0.6731(8) 0.9965(7) 0.055(4) Uani 0.59 1 d PD A 1 H16A H 0.8346 0.6377 1.0213 0.066 Uiso 0.59 1 calc PR A 1 H16B H 0.9765 0.6265 0.9886 0.066 Uiso 0.59 1 calc PR A 1 C11' C 0.8125(12) 0.6553(7) 0.9117(5) 0.040(3) Uani 0.41 1 d PD A 2 H11' H 0.7181 0.6559 0.9219 0.048 Uiso 0.41 1 calc PR A 2 C12' C 0.8657(9) 0.7620(8) 0.8918(6) 0.053(2) Uani 0.41 1 d PD A 2 H12C H 0.8100 0.7614 0.8363 0.063 Uiso 0.41 1 calc PR A 2 H12D H 0.9575 0.7638 0.8766 0.063 Uiso 0.41 1 calc PR A 2 C13' C 0.8661(17) 0.8683(12) 0.9764(10) 0.066(5) Uani 0.41 1 d PD A 2 H13C H 0.9087 0.9355 0.9629 0.079 Uiso 0.41 1 calc PR A 2 H13D H 0.7732 0.8722 0.9857 0.079 Uiso 0.41 1 calc PR A 2 C14' C 0.9410(15) 0.8687(11) 1.0668(10) 0.067(4) Uani 0.41 1 d PD A 2 H14C H 0.9344 0.9356 1.1201 0.081 Uiso 0.41 1 calc PR A 2 H14D H 1.0362 0.8738 1.0600 0.081 Uiso 0.41 1 calc PR A 2 C15' C 0.8841(12) 0.7620(8) 1.0883(6) 0.064(2) Uani 0.41 1 d PD A 2 H15C H 0.9384 0.7633 1.1447 0.076 Uiso 0.41 1 calc PR A 2 H15D H 0.7923 0.7619 1.1026 0.076 Uiso 0.41 1 calc PR A 2 C16' C 0.883(2) 0.6539(12) 1.0060(9) 0.045(4) Uani 0.41 1 d PD A 2 H16C H 0.8351 0.5882 1.0195 0.054 Uiso 0.41 1 calc PR A 2 H16D H 0.9753 0.6467 0.9988 0.054 Uiso 0.41 1 calc PR A 2 C17 C 0.6994(3) 0.4172(3) 0.8333(2) 0.0509(8) Uani 1 1 d . A . H17 H 0.6703 0.3516 0.7731 0.061 Uiso 1 1 calc R . . C18 C 0.5676(3) 0.4455(4) 0.8684(3) 0.0643(10) Uani 1 1 d . . . H18A H 0.5881 0.5060 0.9309 0.077 Uiso 1 1 calc R . . H18B H 0.5218 0.4723 0.8242 0.077 Uiso 1 1 calc R . . C19 C 0.4763(4) 0.3400(4) 0.8747(3) 0.0801(13) Uani 1 1 d . . . H19A H 0.4499 0.2824 0.8109 0.096 Uiso 1 1 calc R . . H19B H 0.3945 0.3592 0.8990 0.096 Uiso 1 1 calc R . . C20 C 0.5452(4) 0.2900(5) 0.9401(4) 0.0882(15) Uani 1 1 d . . . H20A H 0.5620 0.3436 1.0057 0.106 Uiso 1 1 calc R . . H20B H 0.4857 0.2194 0.9383 0.106 Uiso 1 1 calc R . . C21 C 0.6791(4) 0.2664(4) 0.9072(3) 0.0796(13) Uani 1 1 d . . . H21A H 0.7247 0.2402 0.9518 0.096 Uiso 1 1 calc R . . H21B H 0.6607 0.2059 0.8447 0.096 Uiso 1 1 calc R . . C22 C 0.7717(3) 0.3723(4) 0.9011(3) 0.0635(10) Uani 1 1 d . . . H22A H 0.8542 0.3536 0.8776 0.076 Uiso 1 1 calc R . . H22B H 0.7965 0.4311 0.9644 0.076 Uiso 1 1 calc R . . C23 C 0.9646(3) 0.4923(3) 0.7885(2) 0.0452(7) Uani 1 1 d . A . C24 C 1.0880(3) 0.5616(4) 0.8269(3) 0.0584(9) Uani 1 1 d . . . H24 H 1.1027 0.6371 0.8684 0.070 Uiso 1 1 calc R . . C25 C 1.1993(4) 0.5016(4) 0.7942(3) 0.0705(11) Uani 1 1 d . . . H25A H 1.2575 0.5401 0.7600 0.085 Uiso 1 1 calc R . . H25B H 1.2541 0.4977 0.8481 0.085 Uiso 1 1 calc R . . C26 C 1.1240(4) 0.3863(4) 0.7300(3) 0.0619(10) Uani 1 1 d . . . C27 C 0.9839(3) 0.3793(3) 0.7259(2) 0.0528(8) Uani 1 1 d . . . C28 C 0.8926(4) 0.2803(3) 0.6692(3) 0.0667(10) Uani 1 1 d . . . H28 H 0.7998 0.2765 0.6643 0.080 Uiso 1 1 calc R . . C29 C 0.9418(5) 0.1854(4) 0.6191(3) 0.0914(14) Uani 1 1 d . . . H29 H 0.8811 0.1174 0.5816 0.110 Uiso 1 1 calc R . . C30 C 1.0785(6) 0.1916(5) 0.6247(3) 0.0972(16) Uani 1 1 d . . . H30 H 1.1093 0.1272 0.5920 0.117 Uiso 1 1 calc R . . C31 C 1.1707(5) 0.2912(5) 0.6779(3) 0.0884(15) Uani 1 1 d . . . H31 H 1.2633 0.2953 0.6792 0.106 Uiso 1 1 calc R . . Cl1 Cl 0.55933(8) 0.36225(8) 0.61474(6) 0.0547(2) Uani 1 1 d . . . Cl2 Cl 0.53570(9) 0.62443(9) 0.72604(7) 0.0638(3) Uani 1 1 d . . . P1 P 0.80208(7) 0.53137(8) 0.79990(5) 0.0427(2) Uani 1 1 d D . . Ru1 Ru 0.71576(2) 0.54517(2) 0.652273(16) 0.04228(12) Uani 1 1 d . A . C32 C 0.5880(12) 0.1479(11) 0.1465(14) 0.143(6) Uani 0.581(6) 1 d PD B 1 H32A H 0.5710 0.1864 0.2111 0.172 Uiso 0.581(6) 1 calc PR B 1 H32B H 0.5704 0.1939 0.1089 0.172 Uiso 0.581(6) 1 calc PR B 1 Cl3 Cl 0.7597(4) 0.1473(4) 0.1517(5) 0.1296(15) Uani 0.581(6) 1 d PD B 1 Cl4 Cl 0.4781(4) 0.0257(4) 0.1025(5) 0.213(3) Uani 0.581(6) 1 d PD B 1 C32' C 0.580(3) 0.094(3) 0.199(2) 0.220(15) Uani 0.419(6) 1 d PD B 2 H32C H 0.5409 0.1567 0.2343 0.264 Uiso 0.419(6) 1 calc PR B 2 H32D H 0.5106 0.0404 0.1479 0.264 Uiso 0.419(6) 1 calc PR B 2 Cl3' Cl 0.7146(19) 0.1486(15) 0.1479(14) 0.335(10) Uani 0.419(6) 1 d PD B 2 Cl4' Cl 0.6220(11) 0.0259(10) 0.2758(10) 0.314(7) Uani 0.419(6) 1 d PD 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 C1 0.055(2) 0.068(2) 0.053(2) 0.0364(18) 0.0119(16) 0.0101(17) C2 0.056(2) 0.096(3) 0.056(2) 0.047(2) 0.0086(17) 0.023(2) C3 0.0409(19) 0.117(4) 0.0381(18) 0.034(2) -0.0049(15) 0.005(2) C4 0.048(2) 0.083(3) 0.0412(18) 0.0173(18) 0.0102(15) 0.0073(18) C5 0.0389(17) 0.076(2) 0.0443(18) 0.0274(17) 0.0110(14) 0.0157(16) C6 0.0345(16) 0.078(2) 0.0419(17) 0.0295(17) 0.0028(13) 0.0037(15) C7 0.098(3) 0.079(3) 0.078(3) 0.041(2) 0.023(2) 0.020(3) C8 0.138(5) 0.086(4) 0.122(5) 0.044(3) 0.023(4) -0.008(3) C9 0.130(5) 0.091(4) 0.202(7) 0.055(5) 0.030(5) 0.042(4) C10 0.080(3) 0.095(3) 0.061(3) 0.004(2) 0.021(2) 0.009(2) C11 0.041(5) 0.075(6) 0.036(4) 0.025(3) 0.007(3) 0.016(3) C12 0.057(4) 0.061(4) 0.049(3) 0.011(3) -0.004(3) 0.013(3) C13 0.053(7) 0.065(5) 0.060(5) 0.010(4) -0.003(4) 0.017(4) C14 0.069(7) 0.081(6) 0.058(5) 0.000(4) -0.006(5) 0.026(5) C15 0.063(5) 0.101(7) 0.044(4) 0.006(4) -0.015(3) 0.024(5) C16 0.059(8) 0.068(6) 0.042(5) 0.020(4) 0.009(4) 0.023(6) C11' 0.046(7) 0.060(6) 0.024(4) 0.022(4) 0.015(4) 0.021(5) C12' 0.041(5) 0.067(6) 0.046(5) 0.023(4) -0.002(4) 0.002(4) C13' 0.051(11) 0.061(8) 0.077(9) 0.021(6) 0.001(6) 0.004(6) C14' 0.070(10) 0.056(7) 0.059(7) 0.007(5) -0.013(7) 0.008(7) C15' 0.066(7) 0.078(7) 0.039(5) 0.012(4) -0.004(5) 0.020(6) C16' 0.043(8) 0.066(7) 0.025(5) 0.022(5) -0.007(5) 0.005(5) C17 0.0341(16) 0.083(2) 0.0423(17) 0.0308(17) 0.0044(13) 0.0145(16) C18 0.0364(18) 0.109(3) 0.062(2) 0.044(2) 0.0123(16) 0.0230(19) C19 0.039(2) 0.140(4) 0.078(3) 0.061(3) 0.0099(19) 0.018(2) C20 0.056(2) 0.140(4) 0.092(3) 0.077(3) 0.014(2) 0.011(3) C21 0.060(2) 0.121(4) 0.081(3) 0.066(3) 0.006(2) 0.020(2) C22 0.0423(19) 0.104(3) 0.061(2) 0.050(2) 0.0043(16) 0.0189(19) C23 0.0324(15) 0.066(2) 0.0432(17) 0.0266(15) 0.0026(13) 0.0136(14) C24 0.0368(18) 0.078(2) 0.060(2) 0.0272(19) 0.0005(15) 0.0108(17) C25 0.0356(18) 0.115(3) 0.072(3) 0.044(3) 0.0092(18) 0.024(2) C26 0.048(2) 0.102(3) 0.053(2) 0.037(2) 0.0123(17) 0.036(2) C27 0.0412(18) 0.079(2) 0.0480(19) 0.0284(18) 0.0096(15) 0.0247(17) C28 0.060(2) 0.075(3) 0.062(2) 0.016(2) 0.0074(19) 0.023(2) C29 0.099(4) 0.086(3) 0.082(3) 0.011(3) 0.008(3) 0.040(3) C30 0.111(4) 0.114(4) 0.069(3) 0.014(3) 0.013(3) 0.068(4) C31 0.075(3) 0.146(5) 0.071(3) 0.044(3) 0.025(2) 0.071(3) Cl1 0.0457(4) 0.0665(5) 0.0471(5) 0.0213(4) -0.0056(3) 0.0041(4) Cl2 0.0451(5) 0.0756(6) 0.0784(6) 0.0302(5) 0.0178(4) 0.0230(4) P1 0.0296(4) 0.0641(5) 0.0348(4) 0.0168(4) -0.0002(3) 0.0146(4) Ru1 0.02883(15) 0.0627(2) 0.03618(16) 0.02007(12) -0.00037(10) 0.00971(11) C32 0.107(10) 0.118(11) 0.186(17) 0.018(10) 0.030(10) 0.043(9) Cl3 0.086(2) 0.095(2) 0.191(4) 0.035(2) 0.022(2) 0.0088(15) Cl4 0.145(4) 0.162(4) 0.275(6) 0.022(4) -0.042(4) 0.025(3) C32' 0.21(4) 0.23(4) 0.21(4) 0.05(3) 0.06(3) 0.07(3) Cl3' 0.30(2) 0.325(18) 0.36(2) 0.095(15) 0.103(18) 0.053(15) Cl4' 0.241(10) 0.279(12) 0.336(15) 0.016(10) 0.073(10) 0.021(8) _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 C1 C6 1.405(5) . ? C1 C2 1.412(5) . ? C1 C7 1.511(6) . ? C1 Ru1 2.244(3) . ? C2 C3 1.378(6) . ? C2 Ru1 2.247(3) . ? C2 H2 0.9800 . ? C3 C4 1.426(5) . ? C3 Ru1 2.239(3) . ? C3 H3 0.9800 . ? C4 C5 1.412(5) . ? C4 C10 1.477(6) . ? C4 Ru1 2.221(3) . ? C5 C6 1.401(5) . ? C5 Ru1 2.183(3) . ? C5 H5 0.9800 . ? C6 Ru1 2.161(3) . ? C6 H6 0.9800 . ? C7 C8 1.485(6) . ? C7 C9 1.492(7) . ? C7 H7 0.9800 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 C12 1.519(9) . ? C11 C16 1.560(10) . ? C11 P1 1.870(6) . ? C11 H11 0.9800 . ? C12 C13 1.504(10) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C14 1.505(11) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 C15 1.518(9) . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.511(11) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C11' C12' 1.494(10) . ? C11' C16' 1.545(12) . ? C11' P1 1.857(7) . ? C11' H11' 0.9800 . ? C12' C13' 1.512(13) . ? C12' H12C 0.9700 . ? C12' H12D 0.9700 . ? C13' C14' 1.505(13) . ? C13' H13C 0.9700 . ? C13' H13D 0.9700 . ? C14' C15' 1.514(13) . ? C14' H14C 0.9700 . ? C14' H14D 0.9700 . ? C15' C16' 1.506(14) . ? C15' H15C 0.9700 . ? C15' H15D 0.9700 . ? C16' H16C 0.9700 . ? C16' H16D 0.9700 . ? C17 C22 1.533(4) . ? C17 C18 1.533(4) . ? C17 P1 1.845(3) . ? C17 H17 0.9800 . ? C18 C19 1.509(6) . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 C20 1.535(6) . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C20 C21 1.526(6) . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C21 C22 1.517(6) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 C24 1.346(5) . ? C23 C27 1.491(5) . ? C23 P1 1.817(3) . ? C24 C25 1.504(5) . ? C24 H24 0.9300 . ? C25 C26 1.478(6) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 C31 1.394(6) . ? C26 C27 1.404(4) . ? C27 C28 1.375(5) . ? C28 C29 1.398(6) . ? C28 H28 0.9300 . ? C29 C30 1.370(7) . ? C29 H29 0.9300 . ? C30 C31 1.371(7) . ? C30 H30 0.9300 . ? C31 H31 0.9300 . ? Cl1 Ru1 2.4116(9) . ? Cl2 Ru1 2.4126(9) . ? P1 Ru1 2.3956(8) . ? C32 Cl4 1.623(12) . ? C32 Cl3 1.741(12) . ? C32 H32A 0.9700 . ? C32 H32B 0.9700 . ? C32' Cl4' 1.733(18) . ? C32' Cl3' 1.745(17) . ? C32' H32C 0.9700 . ? C32' H32D 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 C6 C1 C2 116.5(4) . . ? C6 C1 C7 119.9(3) . . ? C2 C1 C7 123.3(4) . . ? C6 C1 Ru1 68.23(18) . . ? C2 C1 Ru1 71.8(2) . . ? C7 C1 Ru1 135.6(3) . . ? C3 C2 C1 122.1(3) . . ? C3 C2 Ru1 71.8(2) . . ? C1 C2 Ru1 71.59(19) . . ? C3 C2 H2 118.2 . . ? C1 C2 H2 118.2 . . ? Ru1 C2 H2 118.2 . . ? C2 C3 C4 121.3(3) . . ? C2 C3 Ru1 72.4(2) . . ? C4 C3 Ru1 70.66(19) . . ? C2 C3 H3 118.7 . . ? C4 C3 H3 118.7 . . ? Ru1 C3 H3 118.7 . . ? C5 C4 C3 117.2(4) . . ? C5 C4 C10 121.6(4) . . ? C3 C4 C10 121.2(4) . . ? C5 C4 Ru1 69.84(19) . . ? C3 C4 Ru1 72.1(2) . . ? C10 C4 Ru1 129.5(3) . . ? C6 C5 C4 120.3(3) . . ? C6 C5 Ru1 70.35(18) . . ? C4 C5 Ru1 72.76(19) . . ? C6 C5 H5 119.3 . . ? C4 C5 H5 119.3 . . ? Ru1 C5 H5 119.3 . . ? C5 C6 C1 122.5(3) . . ? C5 C6 Ru1 72.01(18) . . ? C1 C6 Ru1 74.65(19) . . ? C5 C6 H6 118.4 . . ? C1 C6 H6 118.4 . . ? Ru1 C6 H6 118.4 . . ? C8 C7 C9 110.5(4) . . ? C8 C7 C1 110.0(4) . . ? C9 C7 C1 116.4(4) . . ? C8 C7 H7 106.5 . . ? C9 C7 H7 106.5 . . ? C1 C7 H7 106.5 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C4 C10 H10A 109.5 . . ? C4 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C4 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 C16 107.2(7) . . ? C12 C11 P1 117.3(5) . . ? C16 C11 P1 114.6(6) . . ? C12 C11 H11 105.6 . . ? C16 C11 H11 105.6 . . ? P1 C11 H11 105.6 . . ? C13 C12 C11 112.6(6) . . ? C13 C12 H12A 109.1 . . ? C11 C12 H12A 109.1 . . ? C13 C12 H12B 109.1 . . ? C11 C12 H12B 109.1 . . ? H12A C12 H12B 107.8 . . ? C12 C13 C14 113.5(9) . . ? C12 C13 H13A 108.9 . . ? C14 C13 H13A 108.9 . . ? C12 C13 H13B 108.9 . . ? C14 C13 H13B 108.9 . . ? H13A C13 H13B 107.7 . . ? C13 C14 C15 111.2(8) . . ? C13 C14 H14A 109.4 . . ? C15 C14 H14A 109.4 . . ? C13 C14 H14B 109.4 . . ? C15 C14 H14B 109.4 . . ? H14A C14 H14B 108.0 . . ? C16 C15 C14 112.0(8) . . ? C16 C15 H15A 109.2 . . ? C14 C15 H15A 109.2 . . ? C16 C15 H15B 109.2 . . ? C14 C15 H15B 109.2 . . ? H15A C15 H15B 107.9 . . ? C15 C16 C11 112.6(7) . . ? C15 C16 H16A 109.1 . . ? C11 C16 H16A 109.1 . . ? C15 C16 H16B 109.1 . . ? C11 C16 H16B 109.1 . . ? H16A C16 H16B 107.8 . . ? C12' C11' C16' 113.7(10) . . ? C12' C11' P1 107.9(6) . . ? C16' C11' P1 118.2(8) . . ? C12' C11' H11' 105.3 . . ? C16' C11' H11' 105.3 . . ? P1 C11' H11' 105.3 . . ? C11' C12' C13' 111.8(9) . . ? C11' C12' H12C 109.3 . . ? C13' C12' H12C 109.3 . . ? C11' C12' H12D 109.3 . . ? C13' C12' H12D 109.3 . . ? H12C C12' H12D 107.9 . . ? C14' C13' C12' 111.6(11) . . ? C14' C13' H13C 109.3 . . ? C12' C13' H13C 109.3 . . ? C14' C13' H13D 109.3 . . ? C12' C13' H13D 109.3 . . ? H13C C13' H13D 108.0 . . ? C13' C14' C15' 111.7(11) . . ? C13' C14' H14C 109.3 . . ? C15' C14' H14C 109.3 . . ? C13' C14' H14D 109.3 . . ? C15' C14' H14D 109.3 . . ? H14C C14' H14D 107.9 . . ? C16' C15' C14' 112.4(11) . . ? C16' C15' H15C 109.1 . . ? C14' C15' H15C 109.1 . . ? C16' C15' H15D 109.1 . . ? C14' C15' H15D 109.1 . . ? H15C C15' H15D 107.9 . . ? C15' C16' C11' 110.7(10) . . ? C15' C16' H16C 109.5 . . ? C11' C16' H16C 109.5 . . ? C15' C16' H16D 109.5 . . ? C11' C16' H16D 109.5 . . ? H16C C16' H16D 108.1 . . ? C22 C17 C18 110.5(3) . . ? C22 C17 P1 117.3(2) . . ? C18 C17 P1 112.7(2) . . ? C22 C17 H17 105.0 . . ? C18 C17 H17 105.0 . . ? P1 C17 H17 105.0 . . ? C19 C18 C17 109.6(3) . . ? C19 C18 H18A 109.8 . . ? C17 C18 H18A 109.8 . . ? C19 C18 H18B 109.8 . . ? C17 C18 H18B 109.8 . . ? H18A C18 H18B 108.2 . . ? C18 C19 C20 112.4(3) . . ? C18 C19 H19A 109.1 . . ? C20 C19 H19A 109.1 . . ? C18 C19 H19B 109.1 . . ? C20 C19 H19B 109.1 . . ? H19A C19 H19B 107.9 . . ? C21 C20 C19 110.1(3) . . ? C21 C20 H20A 109.6 . . ? C19 C20 H20A 109.6 . . ? C21 C20 H20B 109.6 . . ? C19 C20 H20B 109.6 . . ? H20A C20 H20B 108.2 . . ? C22 C21 C20 111.8(4) . . ? C22 C21 H21A 109.3 . . ? C20 C21 H21A 109.3 . . ? C22 C21 H21B 109.3 . . ? C20 C21 H21B 109.3 . . ? H21A C21 H21B 107.9 . . ? C21 C22 C17 110.0(3) . . ? C21 C22 H22A 109.7 . . ? C17 C22 H22A 109.7 . . ? C21 C22 H22B 109.7 . . ? C17 C22 H22B 109.7 . . ? H22A C22 H22B 108.2 . . ? C24 C23 C27 108.0(3) . . ? C24 C23 P1 126.8(3) . . ? C27 C23 P1 125.0(2) . . ? C23 C24 C25 111.5(4) . . ? C23 C24 H24 124.3 . . ? C25 C24 H24 124.3 . . ? C26 C25 C24 103.1(3) . . ? C26 C25 H25A 111.2 . . ? C24 C25 H25A 111.2 . . ? C26 C25 H25B 111.2 . . ? C24 C25 H25B 111.2 . . ? H25A C25 H25B 109.1 . . ? C31 C26 C27 119.6(4) . . ? C31 C26 C25 130.6(4) . . ? C27 C26 C25 109.7(3) . . ? C28 C27 C26 120.5(4) . . ? C28 C27 C23 131.8(3) . . ? C26 C27 C23 107.7(3) . . ? C27 C28 C29 118.8(4) . . ? C27 C28 H28 120.6 . . ? C29 C28 H28 120.6 . . ? C30 C29 C28 120.7(5) . . ? C30 C29 H29 119.7 . . ? C28 C29 H29 119.7 . . ? C29 C30 C31 121.1(5) . . ? C29 C30 H30 119.5 . . ? C31 C30 H30 119.5 . . ? C30 C31 C26 119.3(4) . . ? C30 C31 H31 120.4 . . ? C26 C31 H31 120.4 . . ? C23 P1 C17 103.26(14) . . ? C23 P1 C11' 111.0(4) . . ? C17 P1 C11' 99.4(3) . . ? C23 P1 C11 99.4(3) . . ? C17 P1 C11 116.3(3) . . ? C11' P1 C11 18.0(3) . . ? C23 P1 Ru1 109.27(10) . . ? C17 P1 Ru1 115.19(10) . . ? C11' P1 Ru1 117.5(3) . . ? C11 P1 Ru1 111.5(3) . . ? C6 Ru1 C5 37.64(13) . . ? C6 Ru1 C4 67.69(13) . . ? C5 Ru1 C4 37.40(12) . . ? C6 Ru1 C3 78.10(12) . . ? C5 Ru1 C3 66.42(13) . . ? C4 Ru1 C3 37.28(14) . . ? C6 Ru1 C1 37.12(12) . . ? C5 Ru1 C1 67.50(13) . . ? C4 Ru1 C1 80.01(14) . . ? C3 Ru1 C1 66.01(14) . . ? C6 Ru1 C2 65.78(13) . . ? C5 Ru1 C2 78.01(13) . . ? C4 Ru1 C2 66.34(15) . . ? C3 Ru1 C2 35.79(15) . . ? C1 Ru1 C2 36.65(13) . . ? C6 Ru1 P1 89.51(8) . . ? C5 Ru1 P1 95.33(9) . . ? C4 Ru1 P1 124.90(10) . . ? C3 Ru1 P1 161.41(11) . . ? C1 Ru1 P1 111.48(9) . . ? C2 Ru1 P1 147.65(11) . . ? C6 Ru1 Cl1 147.23(10) . . ? C5 Ru1 Cl1 109.99(10) . . ? C4 Ru1 Cl1 86.47(10) . . ? C3 Ru1 Cl1 93.68(11) . . ? C1 Ru1 Cl1 159.12(10) . . ? C2 Ru1 Cl1 122.85(11) . . ? P1 Ru1 Cl1 89.30(3) . . ? C6 Ru1 Cl2 127.65(10) . . ? C5 Ru1 Cl2 163.73(10) . . ? C4 Ru1 Cl2 143.24(10) . . ? C3 Ru1 Cl2 107.80(11) . . ? C1 Ru1 Cl2 96.24(10) . . ? C2 Ru1 Cl2 88.81(10) . . ? P1 Ru1 Cl2 90.72(3) . . ? Cl1 Ru1 Cl2 85.11(3) . . ? Cl4 C32 Cl3 118.1(8) . . ? Cl4 C32 H32A 107.8 . . ? Cl3 C32 H32A 107.8 . . ? Cl4 C32 H32B 107.8 . . ? Cl3 C32 H32B 107.8 . . ? H32A C32 H32B 107.1 . . ? Cl4' C32' Cl3' 115.2(15) . . ? Cl4' C32' H32C 108.5 . . ? Cl3' C32' H32C 108.5 . . ? Cl4' C32' H32D 108.5 . . ? Cl3' C32' H32D 108.5 . . ? H32C C32' H32D 107.5 . . ? 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 C6 C1 C2 C3 -0.2(5) . . . . ? C7 C1 C2 C3 173.5(3) . . . . ? Ru1 C1 C2 C3 -53.3(3) . . . . ? C6 C1 C2 Ru1 53.1(3) . . . . ? C7 C1 C2 Ru1 -133.2(3) . . . . ? C1 C2 C3 C4 0.0(5) . . . . ? Ru1 C2 C3 C4 -53.2(3) . . . . ? C1 C2 C3 Ru1 53.2(3) . . . . ? C2 C3 C4 C5 -1.0(5) . . . . ? Ru1 C3 C4 C5 -55.0(3) . . . . ? C2 C3 C4 C10 179.8(4) . . . . ? Ru1 C3 C4 C10 125.8(4) . . . . ? C2 C3 C4 Ru1 54.0(3) . . . . ? C3 C4 C5 C6 2.3(5) . . . . ? C10 C4 C5 C6 -178.5(3) . . . . ? Ru1 C4 C5 C6 -53.9(3) . . . . ? C3 C4 C5 Ru1 56.1(3) . . . . ? C10 C4 C5 Ru1 -124.7(4) . . . . ? C4 C5 C6 C1 -2.5(5) . . . . ? Ru1 C5 C6 C1 -57.5(3) . . . . ? C4 C5 C6 Ru1 55.0(3) . . . . ? C2 C1 C6 C5 1.4(5) . . . . ? C7 C1 C6 C5 -172.5(3) . . . . ? Ru1 C1 C6 C5 56.3(3) . . . . ? C2 C1 C6 Ru1 -54.9(3) . . . . ? C7 C1 C6 Ru1 131.2(3) . . . . ? C6 C1 C7 C8 76.5(5) . . . . ? C2 C1 C7 C8 -97.0(5) . . . . ? Ru1 C1 C7 C8 165.2(3) . . . . ? C6 C1 C7 C9 -156.9(4) . . . . ? C2 C1 C7 C9 29.6(6) . . . . ? Ru1 C1 C7 C9 -68.2(6) . . . . ? C16 C11 C12 C13 56.0(10) . . . . ? P1 C11 C12 C13 -173.6(7) . . . . ? C11 C12 C13 C14 -56.0(12) . . . . ? C12 C13 C14 C15 51.6(13) . . . . ? C13 C14 C15 C16 -51.4(13) . . . . ? C14 C15 C16 C11 55.6(15) . . . . ? C12 C11 C16 C15 -56.6(13) . . . . ? P1 C11 C16 C15 171.5(8) . . . . ? C16' C11' C12' C13' -51.9(14) . . . . ? P1 C11' C12' C13' 175.0(8) . . . . ? C11' C12' C13' C14' 53.9(16) . . . . ? C12' C13' C14' C15' -55.5(18) . . . . ? C13' C14' C15' C16' 55.4(18) . . . . ? C14' C15' C16' C11' -52(2) . . . . ? C12' C11' C16' C15' 50.8(19) . . . . ? P1 C11' C16' C15' 178.8(11) . . . . ? C22 C17 C18 C19 -58.2(4) . . . . ? P1 C17 C18 C19 168.4(3) . . . . ? C17 C18 C19 C20 56.9(5) . . . . ? C18 C19 C20 C21 -55.1(6) . . . . ? C19 C20 C21 C22 54.8(5) . . . . ? C20 C21 C22 C17 -57.1(5) . . . . ? C18 C17 C22 C21 58.5(4) . . . . ? P1 C17 C22 C21 -170.5(3) . . . . ? C27 C23 C24 C25 -0.3(4) . . . . ? P1 C23 C24 C25 -174.6(3) . . . . ? C23 C24 C25 C26 0.4(4) . . . . ? C24 C25 C26 C31 -179.8(4) . . . . ? C24 C25 C26 C27 -0.3(4) . . . . ? C31 C26 C27 C28 -1.5(5) . . . . ? C25 C26 C27 C28 178.9(3) . . . . ? C31 C26 C27 C23 179.7(3) . . . . ? C25 C26 C27 C23 0.1(4) . . . . ? C24 C23 C27 C28 -178.5(4) . . . . ? P1 C23 C27 C28 -4.1(5) . . . . ? C24 C23 C27 C26 0.1(4) . . . . ? P1 C23 C27 C26 174.5(2) . . . . ? C26 C27 C28 C29 2.7(6) . . . . ? C23 C27 C28 C29 -178.8(4) . . . . ? C27 C28 C29 C30 -1.3(7) . . . . ? C28 C29 C30 C31 -1.3(8) . . . . ? C29 C30 C31 C26 2.5(8) . . . . ? C27 C26 C31 C30 -1.1(6) . . . . ? C25 C26 C31 C30 178.3(4) . . . . ? C24 C23 P1 C17 -131.8(3) . . . . ? C27 C23 P1 C17 54.8(3) . . . . ? C24 C23 P1 C11' -26.1(5) . . . . ? C27 C23 P1 C11' 160.6(4) . . . . ? C24 C23 P1 C11 -11.8(4) . . . . ? C27 C23 P1 C11 174.9(4) . . . . ? C24 C23 P1 Ru1 105.1(3) . . . . ? C27 C23 P1 Ru1 -68.2(3) . . . . ? C22 C17 P1 C23 37.4(3) . . . . ? C18 C17 P1 C23 167.4(2) . . . . ? C22 C17 P1 C11' -77.0(5) . . . . ? C18 C17 P1 C11' 53.1(5) . . . . ? C22 C17 P1 C11 -70.3(4) . . . . ? C18 C17 P1 C11 59.7(4) . . . . ? C22 C17 P1 Ru1 156.4(2) . . . . ? C18 C17 P1 Ru1 -73.5(3) . . . . ? C12' C11' P1 C23 84.3(8) . . . . ? C16' C11' P1 C23 -46.4(12) . . . . ? C12' C11' P1 C17 -167.4(7) . . . . ? C16' C11' P1 C17 61.9(12) . . . . ? C12' C11' P1 C11 32.2(14) . . . . ? C16' C11' P1 C11 -98(2) . . . . ? C12' C11' P1 Ru1 -42.4(9) . . . . ? C16' C11' P1 Ru1 -173.1(11) . . . . ? C12 C11 P1 C23 165.6(6) . . . . ? C16 C11 P1 C23 -67.5(8) . . . . ? C12 C11 P1 C17 -84.4(6) . . . . ? C16 C11 P1 C17 42.5(9) . . . . ? C12 C11 P1 C11' -62.7(17) . . . . ? C16 C11 P1 C11' 64.2(19) . . . . ? C12 C11 P1 Ru1 50.4(7) . . . . ? C16 C11 P1 Ru1 177.4(8) . . . . ? C1 C6 Ru1 C5 132.4(3) . . . . ? C5 C6 Ru1 C4 -29.1(2) . . . . ? C1 C6 Ru1 C4 103.4(2) . . . . ? C5 C6 Ru1 C3 -66.7(2) . . . . ? C1 C6 Ru1 C3 65.8(2) . . . . ? C5 C6 Ru1 C1 -132.4(3) . . . . ? C5 C6 Ru1 C2 -102.1(2) . . . . ? C1 C6 Ru1 C2 30.3(2) . . . . ? C5 C6 Ru1 P1 99.39(18) . . . . ? C1 C6 Ru1 P1 -128.16(19) . . . . ? C5 C6 Ru1 Cl1 11.4(3) . . . . ? C1 C6 Ru1 Cl1 143.88(18) . . . . ? C5 C6 Ru1 Cl2 -170.07(15) . . . . ? C1 C6 Ru1 Cl2 -37.6(2) . . . . ? C4 C5 Ru1 C6 -132.3(3) . . . . ? C6 C5 Ru1 C4 132.3(3) . . . . ? C6 C5 Ru1 C3 101.4(2) . . . . ? C4 C5 Ru1 C3 -30.9(2) . . . . ? C6 C5 Ru1 C1 28.82(18) . . . . ? C4 C5 Ru1 C1 -103.4(2) . . . . ? C6 C5 Ru1 C2 65.7(2) . . . . ? C4 C5 Ru1 C2 -66.6(2) . . . . ? C6 C5 Ru1 P1 -82.25(18) . . . . ? C4 C5 Ru1 P1 145.5(2) . . . . ? C6 C5 Ru1 Cl1 -173.44(16) . . . . ? C4 C5 Ru1 Cl1 54.3(2) . . . . ? C6 C5 Ru1 Cl2 29.2(4) . . . . ? C4 C5 Ru1 Cl2 -103.1(4) . . . . ? C5 C4 Ru1 C6 29.2(2) . . . . ? C3 C4 Ru1 C6 -99.8(2) . . . . ? C10 C4 Ru1 C6 144.2(4) . . . . ? C3 C4 Ru1 C5 -129.1(3) . . . . ? C10 C4 Ru1 C5 114.9(5) . . . . ? C5 C4 Ru1 C3 129.1(3) . . . . ? C10 C4 Ru1 C3 -116.0(5) . . . . ? C5 C4 Ru1 C1 65.8(2) . . . . ? C3 C4 Ru1 C1 -63.2(2) . . . . ? C10 C4 Ru1 C1 -179.3(4) . . . . ? C5 C4 Ru1 C2 101.5(2) . . . . ? C3 C4 Ru1 C2 -27.6(2) . . . . ? C10 C4 Ru1 C2 -143.6(4) . . . . ? C5 C4 Ru1 P1 -43.5(3) . . . . ? C3 C4 Ru1 P1 -172.54(18) . . . . ? C10 C4 Ru1 P1 71.5(4) . . . . ? C5 C4 Ru1 Cl1 -130.1(2) . . . . ? C3 C4 Ru1 Cl1 100.8(2) . . . . ? C10 C4 Ru1 Cl1 -15.2(4) . . . . ? C5 C4 Ru1 Cl2 152.88(17) . . . . ? C3 C4 Ru1 Cl2 23.8(3) . . . . ? C10 C4 Ru1 Cl2 -92.2(4) . . . . ? C2 C3 Ru1 C6 -64.9(2) . . . . ? C4 C3 Ru1 C6 68.7(2) . . . . ? C2 C3 Ru1 C5 -102.6(2) . . . . ? C4 C3 Ru1 C5 31.0(2) . . . . ? C2 C3 Ru1 C4 -133.5(3) . . . . ? C2 C3 Ru1 C1 -27.8(2) . . . . ? C4 C3 Ru1 C1 105.7(2) . . . . ? C4 C3 Ru1 C2 133.5(3) . . . . ? C2 C3 Ru1 P1 -114.0(4) . . . . ? C4 C3 Ru1 P1 19.5(5) . . . . ? C2 C3 Ru1 Cl1 147.2(2) . . . . ? C4 C3 Ru1 Cl1 -79.3(2) . . . . ? C2 C3 Ru1 Cl2 61.1(2) . . . . ? C4 C3 Ru1 Cl2 -165.31(19) . . . . ? C2 C1 Ru1 C6 129.6(3) . . . . ? C7 C1 Ru1 C6 -111.1(5) . . . . ? C6 C1 Ru1 C5 -29.19(19) . . . . ? C2 C1 Ru1 C5 100.4(2) . . . . ? C7 C1 Ru1 C5 -140.3(4) . . . . ? C6 C1 Ru1 C4 -66.1(2) . . . . ? C2 C1 Ru1 C4 63.5(2) . . . . ? C7 C1 Ru1 C4 -177.1(4) . . . . ? C6 C1 Ru1 C3 -102.4(2) . . . . ? C2 C1 Ru1 C3 27.2(2) . . . . ? C7 C1 Ru1 C3 146.6(4) . . . . ? C6 C1 Ru1 C2 -129.6(3) . . . . ? C7 C1 Ru1 C2 119.3(5) . . . . ? C6 C1 Ru1 P1 57.7(2) . . . . ? C2 C1 Ru1 P1 -172.8(2) . . . . ? C7 C1 Ru1 P1 -53.4(4) . . . . ? C6 C1 Ru1 Cl1 -116.5(3) . . . . ? C2 C1 Ru1 Cl1 13.1(4) . . . . ? C7 C1 Ru1 Cl1 132.5(4) . . . . ? C6 C1 Ru1 Cl2 150.91(18) . . . . ? C2 C1 Ru1 Cl2 -79.5(2) . . . . ? C7 C1 Ru1 Cl2 39.8(4) . . . . ? C3 C2 Ru1 C6 103.7(2) . . . . ? C1 C2 Ru1 C6 -30.7(2) . . . . ? C3 C2 Ru1 C5 66.1(2) . . . . ? C1 C2 Ru1 C5 -68.3(2) . . . . ? C3 C2 Ru1 C4 28.6(2) . . . . ? C1 C2 Ru1 C4 -105.8(2) . . . . ? C1 C2 Ru1 C3 -134.4(3) . . . . ? C3 C2 Ru1 C1 134.4(3) . . . . ? C3 C2 Ru1 P1 147.05(19) . . . . ? C1 C2 Ru1 P1 12.6(3) . . . . ? C3 C2 Ru1 Cl1 -40.1(2) . . . . ? C1 C2 Ru1 Cl1 -174.47(18) . . . . ? C3 C2 Ru1 Cl2 -123.5(2) . . . . ? C1 C2 Ru1 Cl2 102.1(2) . . . . ? C23 P1 Ru1 C6 -43.84(15) . . . . ? C17 P1 Ru1 C6 -159.50(16) . . . . ? C11' P1 Ru1 C6 83.8(4) . . . . ? C11 P1 Ru1 C6 65.1(3) . . . . ? C23 P1 Ru1 C5 -6.61(15) . . . . ? C17 P1 Ru1 C5 -122.27(16) . . . . ? C11' P1 Ru1 C5 121.0(4) . . . . ? C11 P1 Ru1 C5 102.3(3) . . . . ? C23 P1 Ru1 C4 18.20(17) . . . . ? C17 P1 Ru1 C4 -97.46(17) . . . . ? C11' P1 Ru1 C4 145.8(4) . . . . ? C11 P1 Ru1 C4 127.1(3) . . . . ? C23 P1 Ru1 C3 3.9(4) . . . . ? C17 P1 Ru1 C3 -111.7(4) . . . . ? C11' P1 Ru1 C3 131.5(5) . . . . ? C11 P1 Ru1 C3 112.9(4) . . . . ? C23 P1 Ru1 C1 -74.50(15) . . . . ? C17 P1 Ru1 C1 169.84(15) . . . . ? C11' P1 Ru1 C1 53.1(4) . . . . ? C11 P1 Ru1 C1 34.4(3) . . . . ? C23 P1 Ru1 C2 -82.6(2) . . . . ? C17 P1 Ru1 C2 161.8(2) . . . . ? C11' P1 Ru1 C2 45.1(4) . . . . ? C11 P1 Ru1 C2 26.4(3) . . . . ? C23 P1 Ru1 Cl1 103.41(12) . . . . ? C17 P1 Ru1 Cl1 -12.26(13) . . . . ? C11' P1 Ru1 Cl1 -129.0(4) . . . . ? C11 P1 Ru1 Cl1 -147.7(3) . . . . ? C23 P1 Ru1 Cl2 -171.49(12) . . . . ? C17 P1 Ru1 Cl2 72.85(12) . . . . ? C11' P1 Ru1 Cl2 -43.9(4) . . . . ? C11 P1 Ru1 Cl2 -62.5(3) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A C18 H18B Cl2 0.97 2.78 3.643(4) 148.0 . C17 H17 Cl1 0.98 2.61 3.266(3) 124.2 . C12 H12A Cl2 0.97 2.53 3.214(6) 127.3 . C32 H32A Cl2 0.97 2.74 3.418(13) 127.3 2_666 C3 H3 Cl2 0.98 2.82 3.690(4) 148.0 2_666 _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.50 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.012 _refine_diff_density_min -0.434 _refine_diff_density_rms 0.076 # Attachment '- 110629em.cif' data_110629em _database_code_depnum_ccdc_archive 'CCDC 869890' #TrackingRef '- 110629em.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C27 H33 Cl2 P Ru' _chemical_formula_sum 'C27 H33 Cl2 P Ru' _chemical_formula_weight 560.47 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' 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 21/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 16.7462(13) _cell_length_b 9.5164(7) _cell_length_c 36.246(3) _cell_angle_alpha 90.00 _cell_angle_beta 92.814(1) _cell_angle_gamma 90.00 _cell_volume 5769.3(8) _cell_formula_units_Z 8 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 6676 _cell_measurement_theta_min 2.21 _cell_measurement_theta_max 28.28 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.291 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2304 _exptl_absorpt_coefficient_mu 0.796 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.880 _exptl_absorpt_correction_T_max 0.925 _exptl_absorpt_process_details 'SADABS, Sheldrick, 1997' _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 'CCD area detector' _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 10128 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0332 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 43 _diffrn_reflns_theta_min 2.03 _diffrn_reflns_theta_max 25.01 _reflns_number_total 10128 _reflns_number_gt 9397 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker 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^)+(0.0422P)^2^+32.9473P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10128 _refine_ls_number_parameters 559 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0971 _refine_ls_R_factor_gt 0.0909 _refine_ls_wR_factor_ref 0.1862 _refine_ls_wR_factor_gt 0.1834 _refine_ls_goodness_of_fit_ref 1.279 _refine_ls_restrained_S_all 1.279 _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 0.36111(3) 0.43487(7) 0.066421(15) 0.04027(18) Uani 1 1 d . . . Ru2 Ru 0.86742(3) 0.51678(7) 0.070936(15) 0.04027(18) Uani 1 1 d . . . C1 C 0.4749(4) 0.5316(9) 0.0630(2) 0.0436(18) Uani 1 1 d . . . C2 C 0.4851(5) 0.3898(10) 0.0530(2) 0.056(2) Uani 1 1 d . . . H2 H 0.5250 0.3351 0.0645 0.067 Uiso 1 1 calc R . . C3 C 0.4326(5) 0.3325(12) 0.0248(2) 0.066(3) Uani 1 1 d . . . H3 H 0.4360 0.2377 0.0189 0.079 Uiso 1 1 calc R . . C4 C 0.3749(5) 0.4189(12) 0.0056(2) 0.065(3) Uani 1 1 d . . . H4 H 0.3413 0.3817 -0.0131 0.078 Uiso 1 1 calc R . . C5 C 0.3697(5) 0.5564(11) 0.0151(2) 0.063(2) Uani 1 1 d . . . H5 H 0.3320 0.6127 0.0026 0.076 Uiso 1 1 calc R . . C6 C 0.4195(5) 0.6169(10) 0.0433(2) 0.053(2) Uani 1 1 d . . . H6 H 0.4156 0.7121 0.0487 0.064 Uiso 1 1 calc R . . C7 C 0.5160(4) 0.5829(8) 0.0980(2) 0.0424(17) Uani 1 1 d . . . C8 C 0.5885(4) 0.6745(9) 0.1004(2) 0.052(2) Uani 1 1 d . . . H8A H 0.5797 0.7614 0.0869 0.063 Uiso 1 1 calc R . . H8B H 0.6347 0.6267 0.0912 0.063 Uiso 1 1 calc R . . C9 C 0.5988(4) 0.7009(8) 0.1412(2) 0.0442(18) Uani 1 1 d . . . C10 C 0.5383(4) 0.6292(7) 0.1597(2) 0.0374(16) Uani 1 1 d . . . C11 C 0.4880(4) 0.5564(7) 0.13109(19) 0.0359(15) Uani 1 1 d . . . C12 C 0.5356(4) 0.6359(8) 0.1978(2) 0.0432(17) Uani 1 1 d . . . H12 H 0.4963 0.5887 0.2101 0.052 Uiso 1 1 calc R . . C13 C 0.5935(5) 0.7152(9) 0.2171(2) 0.054(2) Uani 1 1 d . . . H13 H 0.5929 0.7205 0.2427 0.065 Uiso 1 1 calc R . . C14 C 0.6521(5) 0.7866(9) 0.1989(3) 0.060(2) Uani 1 1 d . . . H14 H 0.6896 0.8405 0.2123 0.072 Uiso 1 1 calc R . . C15 C 0.6551(5) 0.7785(9) 0.1611(3) 0.055(2) Uani 1 1 d . . . H15 H 0.6951 0.8252 0.1491 0.066 Uiso 1 1 calc R . . C16 C 0.4030(4) 0.2995(7) 0.15729(18) 0.0337(15) Uani 1 1 d . . . H16 H 0.3536 0.2465 0.1521 0.040 Uiso 1 1 calc R . . C17 C 0.4704(5) 0.2102(8) 0.1423(2) 0.0455(18) Uani 1 1 d . . . H17A H 0.5213 0.2562 0.1477 0.055 Uiso 1 1 calc R . . H17B H 0.4627 0.2016 0.1157 0.055 Uiso 1 1 calc R . . C18 C 0.4717(5) 0.0631(9) 0.1599(3) 0.061(2) Uani 1 1 d . . . H18A H 0.4240 0.0122 0.1515 0.074 Uiso 1 1 calc R . . H18B H 0.5177 0.0117 0.1519 0.074 Uiso 1 1 calc R . . C19 C 0.4753(6) 0.0699(9) 0.2012(3) 0.064(2) Uani 1 1 d . . . H19A H 0.5273 0.1049 0.2098 0.077 Uiso 1 1 calc R . . H19B H 0.4693 -0.0242 0.2110 0.077 Uiso 1 1 calc R . . C20 C 0.4115(5) 0.1629(9) 0.2159(2) 0.058(2) Uani 1 1 d . . . H20A H 0.4192 0.1698 0.2425 0.069 Uiso 1 1 calc R . . H20B H 0.3596 0.1208 0.2103 0.069 Uiso 1 1 calc R . . C21 C 0.4129(5) 0.3110(9) 0.19906(19) 0.0495(19) Uani 1 1 d . . . H21A H 0.3699 0.3670 0.2084 0.059 Uiso 1 1 calc R . . H21B H 0.4632 0.3568 0.2060 0.059 Uiso 1 1 calc R . . C22 C 0.3318(4) 0.5850(8) 0.15921(19) 0.0392(16) Uani 1 1 d . . . H22 H 0.3606 0.5930 0.1833 0.047 Uiso 1 1 calc R . . C23 C 0.2494(4) 0.5267(8) 0.1662(2) 0.0439(17) Uani 1 1 d . . . H23A H 0.2548 0.4364 0.1785 0.053 Uiso 1 1 calc R . . H23B H 0.2198 0.5125 0.1428 0.053 Uiso 1 1 calc R . . C24 C 0.2034(5) 0.6273(11) 0.1901(3) 0.065(3) Uani 1 1 d . . . H24A H 0.1494 0.5923 0.1922 0.078 Uiso 1 1 calc R . . H24B H 0.2288 0.6300 0.2147 0.078 Uiso 1 1 calc R . . C25 C 0.1999(5) 0.7721(11) 0.1747(3) 0.081(3) Uani 1 1 d . . . H25A H 0.1742 0.8335 0.1919 0.097 Uiso 1 1 calc R . . H25B H 0.1676 0.7718 0.1518 0.097 Uiso 1 1 calc R . . C26 C 0.2826(5) 0.8295(9) 0.1676(3) 0.067(3) Uani 1 1 d . . . H26A H 0.3128 0.8409 0.1910 0.081 Uiso 1 1 calc R . . H26B H 0.2773 0.9211 0.1560 0.081 Uiso 1 1 calc R . . C27 C 0.3275(4) 0.7313(7) 0.1428(2) 0.049(2) Uani 1 1 d . . . H27A H 0.3005 0.7277 0.1185 0.059 Uiso 1 1 calc R . . H27B H 0.3812 0.7668 0.1400 0.059 Uiso 1 1 calc R . . C28 C 0.9820(5) 0.4199(9) 0.0696(2) 0.050(2) Uani 1 1 d . . . C29 C 0.9267(5) 0.3365(11) 0.0479(2) 0.060(2) Uani 1 1 d . . . H29 H 0.9206 0.2414 0.0530 0.072 Uiso 1 1 calc R . . C30 C 0.8814(5) 0.4001(12) 0.0186(2) 0.067(3) Uani 1 1 d . . . H30 H 0.8455 0.3455 0.0045 0.080 Uiso 1 1 calc R . . C31 C 0.8886(6) 0.5392(13) 0.0104(2) 0.070(3) Uani 1 1 d . . . H31 H 0.8582 0.5788 -0.0091 0.084 Uiso 1 1 calc R . . C32 C 0.9428(5) 0.6217(11) 0.0319(2) 0.063(2) Uani 1 1 d . . . H32 H 0.9455 0.7178 0.0275 0.076 Uiso 1 1 calc R . . C33 C 0.9919(4) 0.5637(10) 0.0594(2) 0.051(2) Uani 1 1 d . . . H33 H 1.0315 0.6179 0.0713 0.061 Uiso 1 1 calc R . . C34 C 1.0199(4) 0.3679(8) 0.1043(2) 0.0439(17) Uani 1 1 d . . . C35 C 1.0912(5) 0.2717(10) 0.1091(2) 0.057(2) Uani 1 1 d . . . H35A H 1.0811 0.1821 0.0970 0.068 Uiso 1 1 calc R . . H35B H 1.1385 0.3140 0.0993 0.068 Uiso 1 1 calc R . . C36 C 1.1001(4) 0.2552(8) 0.1497(2) 0.0442(18) Uani 1 1 d . . . C37 C 1.0406(4) 0.3334(7) 0.1669(2) 0.0393(16) Uani 1 1 d . . . C38 C 0.9911(4) 0.4010(7) 0.1373(2) 0.0362(15) Uani 1 1 d . . . C39 C 1.0384(4) 0.3315(8) 0.2045(2) 0.0471(18) Uani 1 1 d . . . H39 H 0.9990 0.3818 0.2160 0.056 Uiso 1 1 calc R . . C40 C 1.0950(5) 0.2543(9) 0.2259(3) 0.061(2) Uani 1 1 d . . . H40 H 1.0939 0.2536 0.2515 0.073 Uiso 1 1 calc R . . C41 C 1.1529(5) 0.1786(10) 0.2079(3) 0.071(3) Uani 1 1 d . . . H41 H 1.1901 0.1257 0.2219 0.085 Uiso 1 1 calc R . . C42 C 1.1564(5) 0.1802(9) 0.1702(3) 0.063(2) Uani 1 1 d . . . H42 H 1.1964 0.1313 0.1588 0.076 Uiso 1 1 calc R . . C43 C 0.8350(4) 0.3803(7) 0.16480(19) 0.0337(15) Uani 1 1 d . . . H43 H 0.8629 0.3765 0.1892 0.040 Uiso 1 1 calc R . . C44 C 0.8303(4) 0.2319(8) 0.1503(2) 0.0447(18) Uani 1 1 d . . . H44A H 0.8839 0.1947 0.1485 0.054 Uiso 1 1 calc R . . H44B H 0.8043 0.2316 0.1258 0.054 Uiso 1 1 calc R . . C45 C 0.7832(5) 0.1385(9) 0.1761(3) 0.065(3) Uani 1 1 d . . . H45A H 0.7772 0.0454 0.1654 0.078 Uiso 1 1 calc R . . H45B H 0.8128 0.1294 0.1997 0.078 Uiso 1 1 calc R . . C46 C 0.7005(5) 0.2003(10) 0.1823(3) 0.075(3) Uani 1 1 d . . . H46A H 0.6684 0.1975 0.1593 0.090 Uiso 1 1 calc R . . H46B H 0.6740 0.1433 0.2002 0.090 Uiso 1 1 calc R . . C47 C 0.7056(5) 0.3465(10) 0.1957(3) 0.062(2) Uani 1 1 d . . . H47A H 0.7321 0.3475 0.2201 0.074 Uiso 1 1 calc R . . H47B H 0.6520 0.3831 0.1978 0.074 Uiso 1 1 calc R . . C48 C 0.7509(4) 0.4420(8) 0.1704(2) 0.0446(18) Uani 1 1 d . . . H48A H 0.7559 0.5350 0.1812 0.053 Uiso 1 1 calc R . . H48B H 0.7217 0.4504 0.1467 0.053 Uiso 1 1 calc R . . C49 C 0.9059(4) 0.6631(7) 0.16003(18) 0.0350(15) Uani 1 1 d . . . H49 H 0.8553 0.7131 0.1551 0.042 Uiso 1 1 calc R . . C50 C 0.9179(5) 0.6565(8) 0.2023(2) 0.0452(18) Uani 1 1 d . . . H50A H 0.9689 0.6128 0.2091 0.054 Uiso 1 1 calc R . . H50B H 0.8760 0.6004 0.2125 0.054 Uiso 1 1 calc R . . C51 C 0.9159(5) 0.8070(9) 0.2180(2) 0.053(2) Uani 1 1 d . . . H51A H 0.8631 0.8468 0.2130 0.064 Uiso 1 1 calc R . . H51B H 0.9255 0.8035 0.2446 0.064 Uiso 1 1 calc R . . C52 C 0.9770(5) 0.9000(9) 0.2018(3) 0.062(2) Uani 1 1 d . . . H52A H 1.0300 0.8689 0.2102 0.074 Uiso 1 1 calc R . . H52B H 0.9700 0.9954 0.2105 0.074 Uiso 1 1 calc R . . C53 C 0.9712(6) 0.8990(9) 0.1602(3) 0.063(2) Uani 1 1 d . . . H53A H 0.9228 0.9477 0.1518 0.075 Uiso 1 1 calc R . . H53B H 1.0162 0.9507 0.1512 0.075 Uiso 1 1 calc R . . C54 C 0.9704(5) 0.7548(8) 0.1437(2) 0.0491(19) Uani 1 1 d . . . H54A H 1.0223 0.7112 0.1483 0.059 Uiso 1 1 calc R . . H54B H 0.9605 0.7617 0.1172 0.059 Uiso 1 1 calc R . . Cl1 Cl 0.30124(13) 0.2098(3) 0.07862(6) 0.0637(6) Uani 1 1 d . . . Cl2 Cl 0.22863(13) 0.5315(3) 0.06939(6) 0.0673(6) Uani 1 1 d . . . Cl3 Cl 0.73710(12) 0.4080(3) 0.07212(6) 0.0578(5) Uani 1 1 d . . . Cl4 Cl 0.79956(12) 0.7371(2) 0.08012(6) 0.0595(6) Uani 1 1 d . . . P1 P 0.39154(10) 0.46730(18) 0.13068(5) 0.0312(4) Uani 1 1 d . . . P2 P 0.89521(10) 0.49386(18) 0.13532(5) 0.0301(4) Uani 1 1 d . . . 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 0.0343(3) 0.0573(4) 0.0292(3) -0.0007(3) 0.0015(2) -0.0014(3) Ru2 0.0345(3) 0.0533(4) 0.0332(3) -0.0006(3) 0.0028(2) -0.0015(3) C1 0.029(4) 0.058(5) 0.045(4) 0.007(4) 0.013(3) 0.001(3) C2 0.042(4) 0.068(6) 0.060(5) -0.006(4) 0.019(4) 0.005(4) C3 0.060(5) 0.093(7) 0.047(5) -0.019(5) 0.028(4) -0.009(5) C4 0.062(6) 0.103(8) 0.031(4) -0.013(5) 0.002(4) -0.008(5) C5 0.061(5) 0.089(7) 0.039(4) 0.022(5) 0.000(4) -0.001(5) C6 0.059(5) 0.059(5) 0.042(4) 0.012(4) 0.013(4) 0.000(4) C7 0.029(3) 0.049(5) 0.050(4) 0.006(4) 0.012(3) 0.001(3) C8 0.034(4) 0.064(5) 0.059(5) 0.004(4) 0.007(3) -0.007(4) C9 0.030(4) 0.041(4) 0.062(5) 0.000(4) 0.007(3) 0.004(3) C10 0.031(3) 0.031(4) 0.050(4) 0.000(3) 0.001(3) 0.006(3) C11 0.024(3) 0.042(4) 0.042(4) 0.007(3) 0.004(3) 0.004(3) C12 0.036(4) 0.037(4) 0.055(5) -0.007(3) -0.003(3) 0.005(3) C13 0.052(5) 0.063(6) 0.046(4) -0.017(4) -0.004(4) -0.001(4) C14 0.037(4) 0.052(5) 0.089(7) -0.016(5) -0.013(4) -0.009(4) C15 0.036(4) 0.044(5) 0.084(6) 0.004(4) -0.002(4) -0.006(3) C16 0.034(3) 0.023(3) 0.045(4) 0.009(3) 0.002(3) -0.003(3) C17 0.046(4) 0.038(4) 0.053(5) 0.006(3) 0.012(3) 0.004(3) C18 0.055(5) 0.042(5) 0.089(7) 0.014(5) 0.013(5) 0.014(4) C19 0.064(6) 0.049(5) 0.079(6) 0.026(5) -0.002(5) 0.004(4) C20 0.058(5) 0.055(5) 0.060(5) 0.020(4) 0.002(4) -0.002(4) C21 0.058(5) 0.057(5) 0.034(4) 0.008(4) -0.001(3) 0.009(4) C22 0.027(3) 0.053(5) 0.037(4) -0.013(3) 0.002(3) 0.000(3) C23 0.040(4) 0.047(4) 0.045(4) -0.004(3) 0.003(3) -0.007(3) C24 0.031(4) 0.086(7) 0.078(6) -0.018(5) 0.015(4) 0.007(4) C25 0.045(5) 0.068(7) 0.132(10) -0.026(6) 0.027(6) 0.013(5) C26 0.043(5) 0.041(5) 0.119(8) -0.029(5) 0.019(5) 0.003(4) C27 0.033(4) 0.022(4) 0.090(6) 0.005(4) -0.001(4) 0.000(3) C28 0.047(4) 0.063(6) 0.041(4) -0.011(4) 0.016(3) 0.006(4) C29 0.050(5) 0.080(6) 0.051(5) -0.024(5) 0.009(4) 0.006(4) C30 0.058(5) 0.092(8) 0.052(5) -0.032(5) 0.006(4) -0.007(5) C31 0.058(6) 0.109(9) 0.044(5) 0.001(5) 0.014(4) 0.003(6) C32 0.065(6) 0.071(6) 0.055(5) 0.004(5) 0.021(4) -0.006(5) C33 0.034(4) 0.083(6) 0.037(4) -0.006(4) 0.012(3) -0.010(4) C34 0.035(4) 0.048(5) 0.049(4) -0.006(4) 0.005(3) -0.002(3) C35 0.036(4) 0.060(5) 0.073(6) -0.019(5) 0.006(4) 0.009(4) C36 0.030(4) 0.033(4) 0.069(5) -0.009(4) 0.002(3) -0.003(3) C37 0.032(4) 0.026(4) 0.060(5) 0.002(3) 0.004(3) -0.004(3) C38 0.026(3) 0.033(4) 0.050(4) -0.003(3) 0.005(3) -0.003(3) C39 0.038(4) 0.042(4) 0.062(5) 0.007(4) 0.007(4) 0.004(3) C40 0.059(5) 0.048(5) 0.073(6) 0.015(4) -0.009(4) 0.002(4) C41 0.048(5) 0.062(6) 0.100(8) 0.020(6) -0.015(5) 0.007(4) C42 0.038(4) 0.049(5) 0.102(8) -0.002(5) 0.003(5) 0.011(4) C43 0.032(3) 0.031(4) 0.038(4) 0.005(3) 0.006(3) 0.000(3) C44 0.032(4) 0.043(4) 0.059(5) 0.012(4) 0.003(3) 0.000(3) C45 0.041(4) 0.049(5) 0.105(8) 0.018(5) 0.002(5) -0.005(4) C46 0.040(5) 0.065(6) 0.120(9) 0.030(6) 0.023(5) -0.008(4) C47 0.041(4) 0.072(6) 0.075(6) 0.027(5) 0.018(4) 0.010(4) C48 0.038(4) 0.045(4) 0.051(4) 0.006(4) 0.004(3) 0.017(3) C49 0.031(3) 0.036(4) 0.039(4) 0.001(3) 0.004(3) 0.006(3) C50 0.048(4) 0.035(4) 0.053(5) -0.009(3) 0.006(3) -0.001(3) C51 0.047(4) 0.061(5) 0.051(5) -0.015(4) -0.002(4) -0.002(4) C52 0.067(6) 0.040(5) 0.078(6) -0.031(4) 0.000(5) -0.006(4) C53 0.069(6) 0.036(5) 0.086(7) -0.001(4) 0.028(5) -0.003(4) C54 0.047(4) 0.037(4) 0.064(5) -0.001(4) 0.012(4) -0.001(3) Cl1 0.0582(13) 0.0678(15) 0.0654(13) -0.0133(11) 0.0068(10) -0.0218(11) Cl2 0.0472(11) 0.1042(19) 0.0498(11) 0.0024(12) -0.0046(9) 0.0158(12) Cl3 0.0422(10) 0.0812(15) 0.0493(11) 0.0024(10) -0.0053(8) -0.0129(10) Cl4 0.0513(12) 0.0635(14) 0.0640(13) 0.0145(11) 0.0058(10) 0.0133(10) P1 0.0284(8) 0.0304(9) 0.0352(9) 0.0043(7) 0.0048(7) 0.0017(7) P2 0.0271(8) 0.0259(9) 0.0377(9) -0.0005(7) 0.0057(7) 0.0016(7) _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 2.126(7) . ? Ru1 C6 2.177(8) . ? Ru1 C2 2.198(8) . ? Ru1 C3 2.198(8) . ? Ru1 C5 2.200(8) . ? Ru1 C4 2.233(8) . ? Ru1 P1 2.3797(18) . ? Ru1 Cl2 2.409(2) . ? Ru1 Cl1 2.415(2) . ? Ru2 C28 2.132(8) . ? Ru2 C29 2.170(9) . ? Ru2 C32 2.183(8) . ? Ru2 C33 2.192(7) . ? Ru2 C30 2.219(8) . ? Ru2 C31 2.249(9) . ? Ru2 P2 2.3671(18) . ? Ru2 Cl4 2.416(2) . ? Ru2 Cl3 2.418(2) . ? C1 C6 1.403(11) . ? C1 C2 1.410(12) . ? C1 C7 1.494(10) . ? C2 C3 1.423(12) . ? C2 H2 0.9300 . ? C3 C4 1.425(13) . ? C3 H3 0.9300 . ? C4 C5 1.357(14) . ? C4 H4 0.9300 . ? C5 C6 1.408(12) . ? C5 H5 0.9300 . ? C6 H6 0.9300 . ? C7 C11 1.335(9) . ? C7 C8 1.494(10) . ? C8 C9 1.499(11) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 C15 1.375(11) . ? C9 C10 1.418(10) . ? C10 C12 1.384(10) . ? C10 C11 1.476(10) . ? C11 P1 1.824(7) . ? C12 C13 1.391(10) . ? C12 H12 0.9300 . ? C13 C14 1.386(12) . ? C13 H13 0.9300 . ? C14 C15 1.374(12) . ? C14 H14 0.9300 . ? C15 H15 0.9300 . ? C16 C21 1.519(9) . ? C16 C17 1.533(9) . ? C16 P1 1.870(6) . ? C16 H16 0.9800 . ? C17 C18 1.538(11) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C18 C19 1.497(13) . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 C20 1.504(12) . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C20 C21 1.536(11) . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 C27 1.514(10) . ? C22 C23 1.520(9) . ? C22 P1 1.851(7) . ? C22 H22 0.9800 . ? C23 C24 1.525(11) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 C25 1.486(14) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C26 1.522(12) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 C27 1.522(11) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 C29 1.426(11) . ? C28 C33 1.429(12) . ? C28 C34 1.466(11) . ? C29 C30 1.411(13) . ? C29 H29 0.9300 . ? C30 C31 1.363(14) . ? C30 H30 0.9300 . ? C31 C32 1.407(13) . ? C31 H31 0.9300 . ? C32 C33 1.375(12) . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C34 C38 1.351(10) . ? C34 C35 1.507(10) . ? C35 C36 1.482(11) . ? C35 H35A 0.9700 . ? C35 H35B 0.9700 . ? C36 C42 1.373(11) . ? C36 C37 1.412(10) . ? C37 C39 1.367(11) . ? C37 C38 1.470(10) . ? C38 P2 1.831(7) . ? C39 C40 1.403(11) . ? C39 H39 0.9300 . ? C40 C41 1.396(13) . ? C40 H40 0.9300 . ? C41 C42 1.371(13) . ? C41 H41 0.9300 . ? C42 H42 0.9300 . ? C43 C44 1.508(10) . ? C43 C48 1.548(9) . ? C43 P2 1.853(6) . ? C43 H43 0.9800 . ? C44 C45 1.536(11) . ? C44 H44A 0.9700 . ? C44 H44B 0.9700 . ? C45 C46 1.533(12) . ? C45 H45A 0.9700 . ? C45 H45B 0.9700 . ? C46 C47 1.474(14) . ? C46 H46A 0.9700 . ? C46 H46B 0.9700 . ? C47 C48 1.519(11) . ? C47 H47A 0.9700 . ? C47 H47B 0.9700 . ? C48 H48A 0.9700 . ? C48 H48B 0.9700 . ? C49 C54 1.531(10) . ? C49 C50 1.538(10) . ? C49 P2 1.847(7) . ? C49 H49 0.9800 . ? C50 C51 1.543(11) . ? C50 H50A 0.9700 . ? C50 H50B 0.9700 . ? C51 C52 1.497(12) . ? C51 H51A 0.9700 . ? C51 H51B 0.9700 . ? C52 C53 1.505(12) . ? C52 H52A 0.9700 . ? C52 H52B 0.9700 . ? C53 C54 1.497(11) . ? C53 H53A 0.9700 . ? C53 H53B 0.9700 . ? C54 H54A 0.9700 . ? C54 H54B 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 C6 38.0(3) . . ? C1 Ru1 C2 38.0(3) . . ? C6 Ru1 C2 67.9(3) . . ? C1 Ru1 C3 68.4(3) . . ? C6 Ru1 C3 79.5(4) . . ? C2 Ru1 C3 37.8(3) . . ? C1 Ru1 C5 68.1(3) . . ? C6 Ru1 C5 37.5(3) . . ? C2 Ru1 C5 79.3(3) . . ? C3 Ru1 C5 66.0(4) . . ? C1 Ru1 C4 80.6(3) . . ? C6 Ru1 C4 66.7(4) . . ? C2 Ru1 C4 67.9(3) . . ? C3 Ru1 C4 37.5(3) . . ? C5 Ru1 C4 35.6(4) . . ? C1 Ru1 P1 81.4(2) . . ? C6 Ru1 P1 101.3(2) . . ? C2 Ru1 P1 94.8(2) . . ? C3 Ru1 P1 129.1(3) . . ? C5 Ru1 P1 137.7(3) . . ? C4 Ru1 P1 161.4(2) . . ? C1 Ru1 Cl2 131.9(2) . . ? C6 Ru1 Cl2 98.4(2) . . ? C2 Ru1 Cl2 165.1(3) . . ? C3 Ru1 Cl2 137.2(3) . . ? C5 Ru1 Cl2 86.3(3) . . ? C4 Ru1 Cl2 102.1(3) . . ? P1 Ru1 Cl2 93.45(7) . . ? C1 Ru1 Cl1 140.9(2) . . ? C6 Ru1 Cl1 167.0(2) . . ? C2 Ru1 Cl1 105.8(2) . . ? C3 Ru1 Cl1 88.7(3) . . ? C5 Ru1 Cl1 131.7(3) . . ? C4 Ru1 Cl1 100.6(3) . . ? P1 Ru1 Cl1 90.38(7) . . ? Cl2 Ru1 Cl1 86.51(9) . . ? C28 Ru2 C29 38.7(3) . . ? C28 Ru2 C32 68.5(3) . . ? C29 Ru2 C32 79.8(4) . . ? C28 Ru2 C33 38.6(3) . . ? C29 Ru2 C33 68.3(3) . . ? C32 Ru2 C33 36.6(3) . . ? C28 Ru2 C30 68.3(3) . . ? C29 Ru2 C30 37.5(3) . . ? C32 Ru2 C30 65.6(4) . . ? C33 Ru2 C30 78.3(3) . . ? C28 Ru2 C31 80.4(3) . . ? C29 Ru2 C31 66.6(4) . . ? C32 Ru2 C31 37.0(3) . . ? C33 Ru2 C31 66.2(3) . . ? C30 Ru2 C31 35.5(4) . . ? C28 Ru2 P2 81.3(2) . . ? C29 Ru2 P2 103.6(2) . . ? C32 Ru2 P2 126.1(3) . . ? C33 Ru2 P2 93.7(2) . . ? C30 Ru2 P2 140.6(3) . . ? C31 Ru2 P2 159.6(2) . . ? C28 Ru2 Cl4 144.0(2) . . ? C29 Ru2 Cl4 165.2(3) . . ? C32 Ru2 Cl4 89.0(3) . . ? C33 Ru2 Cl4 107.9(3) . . ? C30 Ru2 Cl4 128.5(3) . . ? C31 Ru2 Cl4 98.6(3) . . ? P2 Ru2 Cl4 90.86(7) . . ? C28 Ru2 Cl3 129.0(2) . . ? C29 Ru2 Cl3 95.7(2) . . ? C32 Ru2 Cl3 139.3(3) . . ? C33 Ru2 Cl3 163.4(2) . . ? C30 Ru2 Cl3 86.2(3) . . ? C31 Ru2 Cl3 104.1(3) . . ? P2 Ru2 Cl3 94.42(6) . . ? Cl4 Ru2 Cl3 86.44(8) . . ? C6 C1 C2 120.5(8) . . ? C6 C1 C7 120.6(7) . . ? C2 C1 C7 118.4(7) . . ? C6 C1 Ru1 73.0(4) . . ? C2 C1 Ru1 73.8(5) . . ? C7 C1 Ru1 118.0(5) . . ? C1 C2 C3 118.3(8) . . ? C1 C2 Ru1 68.2(4) . . ? C3 C2 Ru1 71.1(5) . . ? C1 C2 H2 120.9 . . ? C3 C2 H2 120.9 . . ? Ru1 C2 H2 132.6 . . ? C2 C3 C4 120.7(9) . . ? C2 C3 Ru1 71.1(4) . . ? C4 C3 Ru1 72.6(5) . . ? C2 C3 H3 119.6 . . ? C4 C3 H3 119.6 . . ? Ru1 C3 H3 129.1 . . ? C5 C4 C3 118.8(8) . . ? C5 C4 Ru1 70.9(5) . . ? C3 C4 Ru1 69.9(4) . . ? C5 C4 H4 120.6 . . ? C3 C4 H4 120.6 . . ? Ru1 C4 H4 131.2 . . ? C4 C5 C6 122.4(9) . . ? C4 C5 Ru1 73.5(5) . . ? C6 C5 Ru1 70.3(4) . . ? C4 C5 H5 118.8 . . ? C6 C5 H5 118.8 . . ? Ru1 C5 H5 130.1 . . ? C1 C6 C5 119.1(9) . . ? C1 C6 Ru1 69.0(4) . . ? C5 C6 Ru1 72.1(5) . . ? C1 C6 H6 120.4 . . ? C5 C6 H6 120.4 . . ? Ru1 C6 H6 131.0 . . ? C11 C7 C1 122.2(6) . . ? C11 C7 C8 112.1(7) . . ? C1 C7 C8 125.5(6) . . ? C7 C8 C9 102.1(6) . . ? C7 C8 H8A 111.3 . . ? C9 C8 H8A 111.3 . . ? C7 C8 H8B 111.3 . . ? C9 C8 H8B 111.3 . . ? H8A C8 H8B 109.2 . . ? C15 C9 C10 119.8(8) . . ? C15 C9 C8 130.6(7) . . ? C10 C9 C8 109.6(6) . . ? C12 C10 C9 120.6(7) . . ? C12 C10 C11 132.6(7) . . ? C9 C10 C11 106.8(6) . . ? C7 C11 C10 109.2(6) . . ? C7 C11 P1 115.5(5) . . ? C10 C11 P1 134.3(5) . . ? C10 C12 C13 118.2(7) . . ? C10 C12 H12 120.9 . . ? C13 C12 H12 120.9 . . ? C14 C13 C12 121.2(8) . . ? C14 C13 H13 119.4 . . ? C12 C13 H13 119.4 . . ? C15 C14 C13 120.5(7) . . ? C15 C14 H14 119.7 . . ? C13 C14 H14 119.7 . . ? C14 C15 C9 119.8(8) . . ? C14 C15 H15 120.1 . . ? C9 C15 H15 120.1 . . ? C21 C16 C17 110.3(6) . . ? C21 C16 P1 117.1(5) . . ? C17 C16 P1 110.5(5) . . ? C21 C16 H16 106.1 . . ? C17 C16 H16 106.1 . . ? P1 C16 H16 106.1 . . ? C16 C17 C18 110.7(6) . . ? C16 C17 H17A 109.5 . . ? C18 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? C18 C17 H17B 109.5 . . ? H17A C17 H17B 108.1 . . ? C19 C18 C17 112.0(7) . . ? C19 C18 H18A 109.2 . . ? C17 C18 H18A 109.2 . . ? C19 C18 H18B 109.2 . . ? C17 C18 H18B 109.2 . . ? H18A C18 H18B 107.9 . . ? C18 C19 C20 112.5(7) . . ? C18 C19 H19A 109.1 . . ? C20 C19 H19A 109.1 . . ? C18 C19 H19B 109.1 . . ? C20 C19 H19B 109.1 . . ? H19A C19 H19B 107.8 . . ? C19 C20 C21 112.1(7) . . ? C19 C20 H20A 109.2 . . ? C21 C20 H20A 109.2 . . ? C19 C20 H20B 109.2 . . ? C21 C20 H20B 109.2 . . ? H20A C20 H20B 107.9 . . ? C16 C21 C20 109.0(7) . . ? C16 C21 H21A 109.9 . . ? C20 C21 H21A 109.9 . . ? C16 C21 H21B 109.9 . . ? C20 C21 H21B 109.9 . . ? H21A C21 H21B 108.3 . . ? C27 C22 C23 112.0(6) . . ? C27 C22 P1 110.7(5) . . ? C23 C22 P1 113.1(5) . . ? C27 C22 H22 106.9 . . ? C23 C22 H22 106.9 . . ? P1 C22 H22 106.9 . . ? C22 C23 C24 110.7(6) . . ? C22 C23 H23A 109.5 . . ? C24 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? C24 C23 H23B 109.5 . . ? H23A C23 H23B 108.1 . . ? C25 C24 C23 112.4(8) . . ? C25 C24 H24A 109.1 . . ? C23 C24 H24A 109.1 . . ? C25 C24 H24B 109.1 . . ? C23 C24 H24B 109.1 . . ? H24A C24 H24B 107.9 . . ? C24 C25 C26 112.1(8) . . ? C24 C25 H25A 109.2 . . ? C26 C25 H25A 109.2 . . ? C24 C25 H25B 109.2 . . ? C26 C25 H25B 109.2 . . ? H25A C25 H25B 107.9 . . ? C25 C26 C27 111.1(7) . . ? C25 C26 H26A 109.4 . . ? C27 C26 H26A 109.4 . . ? C25 C26 H26B 109.4 . . ? C27 C26 H26B 109.4 . . ? H26A C26 H26B 108.0 . . ? C22 C27 C26 110.3(7) . . ? C22 C27 H27A 109.6 . . ? C26 C27 H27A 109.6 . . ? C22 C27 H27B 109.6 . . ? C26 C27 H27B 109.6 . . ? H27A C27 H27B 108.1 . . ? C29 C28 C33 118.1(8) . . ? C29 C28 C34 121.7(8) . . ? C33 C28 C34 119.7(7) . . ? C29 C28 Ru2 72.1(5) . . ? C33 C28 Ru2 73.0(5) . . ? C34 C28 Ru2 118.6(5) . . ? C30 C29 C28 119.1(9) . . ? C30 C29 Ru2 73.1(5) . . ? C28 C29 Ru2 69.2(5) . . ? C30 C29 H29 120.5 . . ? C28 C29 H29 120.5 . . ? Ru2 C29 H29 129.5 . . ? C31 C30 C29 122.1(9) . . ? C31 C30 Ru2 73.5(5) . . ? C29 C30 Ru2 69.4(5) . . ? C31 C30 H30 119.0 . . ? C29 C30 H30 119.0 . . ? Ru2 C30 H30 131.1 . . ? C30 C31 C32 118.9(9) . . ? C30 C31 Ru2 71.0(5) . . ? C32 C31 Ru2 69.0(5) . . ? C30 C31 H31 120.6 . . ? C32 C31 H31 120.6 . . ? Ru2 C31 H31 132.2 . . ? C33 C32 C31 121.5(10) . . ? C33 C32 Ru2 72.0(5) . . ? C31 C32 Ru2 74.0(5) . . ? C33 C32 H32 119.3 . . ? C31 C32 H32 119.3 . . ? Ru2 C32 H32 126.6 . . ? C32 C33 C28 120.0(8) . . ? C32 C33 Ru2 71.3(5) . . ? C28 C33 Ru2 68.4(4) . . ? C32 C33 H33 120.0 . . ? C28 C33 H33 120.0 . . ? Ru2 C33 H33 133.4 . . ? C38 C34 C28 121.6(7) . . ? C38 C34 C35 110.8(7) . . ? C28 C34 C35 127.6(7) . . ? C36 C35 C34 102.7(6) . . ? C36 C35 H35A 111.2 . . ? C34 C35 H35A 111.2 . . ? C36 C35 H35B 111.2 . . ? C34 C35 H35B 111.2 . . ? H35A C35 H35B 109.1 . . ? C42 C36 C37 121.1(8) . . ? C42 C36 C35 128.8(8) . . ? C37 C36 C35 110.1(7) . . ? C39 C37 C36 119.2(7) . . ? C39 C37 C38 133.7(7) . . ? C36 C37 C38 107.2(7) . . ? C34 C38 C37 109.3(6) . . ? C34 C38 P2 115.4(5) . . ? C37 C38 P2 134.6(5) . . ? C37 C39 C40 120.5(8) . . ? C37 C39 H39 119.7 . . ? C40 C39 H39 119.7 . . ? C41 C40 C39 118.6(9) . . ? C41 C40 H40 120.7 . . ? C39 C40 H40 120.7 . . ? C42 C41 C40 121.6(8) . . ? C42 C41 H41 119.2 . . ? C40 C41 H41 119.2 . . ? C41 C42 C36 119.0(8) . . ? C41 C42 H42 120.5 . . ? C36 C42 H42 120.5 . . ? C44 C43 C48 111.7(6) . . ? C44 C43 P2 111.4(5) . . ? C48 C43 P2 112.3(5) . . ? C44 C43 H43 107.0 . . ? C48 C43 H43 107.0 . . ? P2 C43 H43 107.0 . . ? C43 C44 C45 110.4(7) . . ? C43 C44 H44A 109.6 . . ? C45 C44 H44A 109.6 . . ? C43 C44 H44B 109.6 . . ? C45 C44 H44B 109.6 . . ? H44A C44 H44B 108.1 . . ? C46 C45 C44 111.2(7) . . ? C46 C45 H45A 109.4 . . ? C44 C45 H45A 109.4 . . ? C46 C45 H45B 109.4 . . ? C44 C45 H45B 109.4 . . ? H45A C45 H45B 108.0 . . ? C47 C46 C45 111.8(7) . . ? C47 C46 H46A 109.3 . . ? C45 C46 H46A 109.3 . . ? C47 C46 H46B 109.3 . . ? C45 C46 H46B 109.3 . . ? H46A C46 H46B 107.9 . . ? C46 C47 C48 112.9(8) . . ? C46 C47 H47A 109.0 . . ? C48 C47 H47A 109.0 . . ? C46 C47 H47B 109.0 . . ? C48 C47 H47B 109.0 . . ? H47A C47 H47B 107.8 . . ? C47 C48 C43 109.7(6) . . ? C47 C48 H48A 109.7 . . ? C43 C48 H48A 109.7 . . ? C47 C48 H48B 109.7 . . ? C43 C48 H48B 109.7 . . ? H48A C48 H48B 108.2 . . ? C54 C49 C50 110.4(6) . . ? C54 C49 P2 111.3(5) . . ? C50 C49 P2 116.9(5) . . ? C54 C49 H49 105.8 . . ? C50 C49 H49 105.8 . . ? P2 C49 H49 105.8 . . ? C49 C50 C51 109.0(6) . . ? C49 C50 H50A 109.9 . . ? C51 C50 H50A 109.9 . . ? C49 C50 H50B 109.9 . . ? C51 C50 H50B 109.9 . . ? H50A C50 H50B 108.3 . . ? C52 C51 C50 112.0(7) . . ? C52 C51 H51A 109.2 . . ? C50 C51 H51A 109.2 . . ? C52 C51 H51B 109.2 . . ? C50 C51 H51B 109.2 . . ? H51A C51 H51B 107.9 . . ? C51 C52 C53 112.3(7) . . ? C51 C52 H52A 109.1 . . ? C53 C52 H52A 109.1 . . ? C51 C52 H52B 109.1 . . ? C53 C52 H52B 109.1 . . ? H52A C52 H52B 107.9 . . ? C54 C53 C52 113.9(7) . . ? C54 C53 H53A 108.8 . . ? C52 C53 H53A 108.8 . . ? C54 C53 H53B 108.8 . . ? C52 C53 H53B 108.8 . . ? H53A C53 H53B 107.7 . . ? C53 C54 C49 111.1(6) . . ? C53 C54 H54A 109.4 . . ? C49 C54 H54A 109.4 . . ? C53 C54 H54B 109.4 . . ? C49 C54 H54B 109.4 . . ? H54A C54 H54B 108.0 . . ? C11 P1 C22 102.5(3) . . ? C11 P1 C16 108.9(3) . . ? C22 P1 C16 105.9(3) . . ? C11 P1 Ru1 102.4(2) . . ? C22 P1 Ru1 122.0(2) . . ? C16 P1 Ru1 113.9(2) . . ? C38 P2 C49 109.7(3) . . ? C38 P2 C43 101.4(3) . . ? C49 P2 C43 105.7(3) . . ? C38 P2 Ru2 102.3(2) . . ? C49 P2 Ru2 114.0(2) . . ? C43 P2 Ru2 122.4(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 C1 C6 129.9(7) . . . . ? C3 Ru1 C1 C6 100.9(6) . . . . ? C5 Ru1 C1 C6 29.1(5) . . . . ? C4 Ru1 C1 C6 63.9(5) . . . . ? P1 Ru1 C1 C6 -120.9(5) . . . . ? Cl2 Ru1 C1 C6 -33.9(6) . . . . ? Cl1 Ru1 C1 C6 159.2(4) . . . . ? C6 Ru1 C1 C2 -129.9(7) . . . . ? C3 Ru1 C1 C2 -29.1(5) . . . . ? C5 Ru1 C1 C2 -100.8(6) . . . . ? C4 Ru1 C1 C2 -66.0(5) . . . . ? P1 Ru1 C1 C2 109.2(5) . . . . ? Cl2 Ru1 C1 C2 -163.9(4) . . . . ? Cl1 Ru1 C1 C2 29.2(6) . . . . ? C6 Ru1 C1 C7 116.1(8) . . . . ? C2 Ru1 C1 C7 -113.9(8) . . . . ? C3 Ru1 C1 C7 -143.0(7) . . . . ? C5 Ru1 C1 C7 145.3(7) . . . . ? C4 Ru1 C1 C7 -179.9(7) . . . . ? P1 Ru1 C1 C7 -4.7(5) . . . . ? Cl2 Ru1 C1 C7 82.2(6) . . . . ? Cl1 Ru1 C1 C7 -84.7(6) . . . . ? C6 C1 C2 C3 -5.9(11) . . . . ? C7 C1 C2 C3 165.9(7) . . . . ? Ru1 C1 C2 C3 52.4(6) . . . . ? C6 C1 C2 Ru1 -58.3(6) . . . . ? C7 C1 C2 Ru1 113.5(6) . . . . ? C6 Ru1 C2 C1 30.7(5) . . . . ? C3 Ru1 C2 C1 132.5(8) . . . . ? C5 Ru1 C2 C1 68.1(5) . . . . ? C4 Ru1 C2 C1 103.4(6) . . . . ? P1 Ru1 C2 C1 -69.6(5) . . . . ? Cl2 Ru1 C2 C1 53.7(11) . . . . ? Cl1 Ru1 C2 C1 -161.3(4) . . . . ? C1 Ru1 C2 C3 -132.5(8) . . . . ? C6 Ru1 C2 C3 -101.8(6) . . . . ? C5 Ru1 C2 C3 -64.4(6) . . . . ? C4 Ru1 C2 C3 -29.1(6) . . . . ? P1 Ru1 C2 C3 157.9(6) . . . . ? Cl2 Ru1 C2 C3 -78.8(11) . . . . ? Cl1 Ru1 C2 C3 66.2(6) . . . . ? C1 C2 C3 C4 4.1(11) . . . . ? Ru1 C2 C3 C4 55.1(7) . . . . ? C1 C2 C3 Ru1 -51.0(6) . . . . ? C1 Ru1 C3 C2 29.2(5) . . . . ? C6 Ru1 C3 C2 67.2(6) . . . . ? C5 Ru1 C3 C2 104.0(6) . . . . ? C4 Ru1 C3 C2 132.3(9) . . . . ? P1 Ru1 C3 C2 -28.8(7) . . . . ? Cl2 Ru1 C3 C2 158.2(4) . . . . ? Cl1 Ru1 C3 C2 -118.3(6) . . . . ? C1 Ru1 C3 C4 -103.1(6) . . . . ? C6 Ru1 C3 C4 -65.1(6) . . . . ? C2 Ru1 C3 C4 -132.3(9) . . . . ? C5 Ru1 C3 C4 -28.3(6) . . . . ? P1 Ru1 C3 C4 -161.2(5) . . . . ? Cl2 Ru1 C3 C4 25.9(8) . . . . ? Cl1 Ru1 C3 C4 109.4(6) . . . . ? C2 C3 C4 C5 -1.2(12) . . . . ? Ru1 C3 C4 C5 53.2(7) . . . . ? C2 C3 C4 Ru1 -54.4(7) . . . . ? C1 Ru1 C4 C5 -65.4(6) . . . . ? C6 Ru1 C4 C5 -28.3(5) . . . . ? C2 Ru1 C4 C5 -102.8(6) . . . . ? C3 Ru1 C4 C5 -132.0(9) . . . . ? P1 Ru1 C4 C5 -80.4(11) . . . . ? Cl2 Ru1 C4 C5 65.6(6) . . . . ? Cl1 Ru1 C4 C5 154.3(5) . . . . ? C1 Ru1 C4 C3 66.7(6) . . . . ? C6 Ru1 C4 C3 103.7(6) . . . . ? C2 Ru1 C4 C3 29.3(6) . . . . ? C5 Ru1 C4 C3 132.0(9) . . . . ? P1 Ru1 C4 C3 51.6(12) . . . . ? Cl2 Ru1 C4 C3 -162.3(5) . . . . ? Cl1 Ru1 C4 C3 -73.6(6) . . . . ? C3 C4 C5 C6 0.1(13) . . . . ? Ru1 C4 C5 C6 52.8(7) . . . . ? C3 C4 C5 Ru1 -52.8(7) . . . . ? C1 Ru1 C5 C4 104.9(6) . . . . ? C6 Ru1 C5 C4 134.4(8) . . . . ? C2 Ru1 C5 C4 66.9(6) . . . . ? C3 Ru1 C5 C4 29.7(6) . . . . ? P1 Ru1 C5 C4 152.1(5) . . . . ? Cl2 Ru1 C5 C4 -116.8(6) . . . . ? Cl1 Ru1 C5 C4 -34.8(7) . . . . ? C1 Ru1 C5 C6 -29.5(5) . . . . ? C2 Ru1 C5 C6 -67.5(5) . . . . ? C3 Ru1 C5 C6 -104.7(6) . . . . ? C4 Ru1 C5 C6 -134.4(8) . . . . ? P1 Ru1 C5 C6 17.7(7) . . . . ? Cl2 Ru1 C5 C6 108.8(5) . . . . ? Cl1 Ru1 C5 C6 -169.2(4) . . . . ? C2 C1 C6 C5 4.8(11) . . . . ? C7 C1 C6 C5 -166.8(7) . . . . ? Ru1 C1 C6 C5 -53.9(7) . . . . ? C2 C1 C6 Ru1 58.7(6) . . . . ? C7 C1 C6 Ru1 -112.9(6) . . . . ? C4 C5 C6 C1 -1.9(12) . . . . ? Ru1 C5 C6 C1 52.4(6) . . . . ? C4 C5 C6 Ru1 -54.2(8) . . . . ? C2 Ru1 C6 C1 -30.7(5) . . . . ? C3 Ru1 C6 C1 -68.2(5) . . . . ? C5 Ru1 C6 C1 -132.2(8) . . . . ? C4 Ru1 C6 C1 -105.2(5) . . . . ? P1 Ru1 C6 C1 59.9(5) . . . . ? Cl2 Ru1 C6 C1 155.2(4) . . . . ? Cl1 Ru1 C6 C1 -93.6(11) . . . . ? C1 Ru1 C6 C5 132.2(8) . . . . ? C2 Ru1 C6 C5 101.5(6) . . . . ? C3 Ru1 C6 C5 63.9(6) . . . . ? C4 Ru1 C6 C5 27.0(5) . . . . ? P1 Ru1 C6 C5 -167.9(5) . . . . ? Cl2 Ru1 C6 C5 -72.7(5) . . . . ? Cl1 Ru1 C6 C5 38.6(13) . . . . ? C6 C1 C7 C11 93.4(9) . . . . ? C2 C1 C7 C11 -78.4(9) . . . . ? Ru1 C1 C7 C11 7.5(10) . . . . ? C6 C1 C7 C8 -82.8(9) . . . . ? C2 C1 C7 C8 105.4(9) . . . . ? Ru1 C1 C7 C8 -168.8(6) . . . . ? C11 C7 C8 C9 -0.9(9) . . . . ? C1 C7 C8 C9 175.7(7) . . . . ? C7 C8 C9 C15 -179.8(8) . . . . ? C7 C8 C9 C10 0.7(8) . . . . ? C15 C9 C10 C12 -0.4(11) . . . . ? C8 C9 C10 C12 179.2(7) . . . . ? C15 C9 C10 C11 -179.9(7) . . . . ? C8 C9 C10 C11 -0.3(8) . . . . ? C1 C7 C11 C10 -176.0(6) . . . . ? C8 C7 C11 C10 0.7(9) . . . . ? C1 C7 C11 P1 -5.4(10) . . . . ? C8 C7 C11 P1 171.4(5) . . . . ? C12 C10 C11 C7 -179.6(7) . . . . ? C9 C10 C11 C7 -0.3(8) . . . . ? C12 C10 C11 P1 12.2(12) . . . . ? C9 C10 C11 P1 -168.4(6) . . . . ? C9 C10 C12 C13 0.4(10) . . . . ? C11 C10 C12 C13 179.7(7) . . . . ? C10 C12 C13 C14 0.4(12) . . . . ? C12 C13 C14 C15 -1.2(13) . . . . ? C13 C14 C15 C9 1.1(13) . . . . ? C10 C9 C15 C14 -0.4(12) . . . . ? C8 C9 C15 C14 -179.8(8) . . . . ? C21 C16 C17 C18 57.7(8) . . . . ? P1 C16 C17 C18 -171.2(6) . . . . ? C16 C17 C18 C19 -53.5(9) . . . . ? C17 C18 C19 C20 51.8(10) . . . . ? C18 C19 C20 C21 -54.2(10) . . . . ? C17 C16 C21 C20 -59.1(8) . . . . ? P1 C16 C21 C20 173.4(5) . . . . ? C19 C20 C21 C16 57.4(9) . . . . ? C27 C22 C23 C24 -54.6(9) . . . . ? P1 C22 C23 C24 179.4(6) . . . . ? C22 C23 C24 C25 53.4(10) . . . . ? C23 C24 C25 C26 -54.0(12) . . . . ? C24 C25 C26 C27 55.0(12) . . . . ? C23 C22 C27 C26 56.1(8) . . . . ? P1 C22 C27 C26 -176.6(5) . . . . ? C25 C26 C27 C22 -55.4(11) . . . . ? C32 Ru2 C28 C29 -100.8(6) . . . . ? C33 Ru2 C28 C29 -128.0(7) . . . . ? C30 Ru2 C28 C29 -29.5(6) . . . . ? C31 Ru2 C28 C29 -64.3(6) . . . . ? P2 Ru2 C28 C29 124.7(5) . . . . ? Cl4 Ru2 C28 C29 -155.8(4) . . . . ? Cl3 Ru2 C28 C29 36.1(6) . . . . ? C29 Ru2 C28 C33 128.0(7) . . . . ? C32 Ru2 C28 C33 27.2(5) . . . . ? C30 Ru2 C28 C33 98.5(5) . . . . ? C31 Ru2 C28 C33 63.7(5) . . . . ? P2 Ru2 C28 C33 -107.2(4) . . . . ? Cl4 Ru2 C28 C33 -27.8(6) . . . . ? Cl3 Ru2 C28 C33 164.1(3) . . . . ? C29 Ru2 C28 C34 -117.0(9) . . . . ? C32 Ru2 C28 C34 142.2(7) . . . . ? C33 Ru2 C28 C34 115.0(8) . . . . ? C30 Ru2 C28 C34 -146.5(8) . . . . ? C31 Ru2 C28 C34 178.7(7) . . . . ? P2 Ru2 C28 C34 7.8(6) . . . . ? Cl4 Ru2 C28 C34 87.2(7) . . . . ? Cl3 Ru2 C28 C34 -80.9(7) . . . . ? C33 C28 C29 C30 -3.1(11) . . . . ? C34 C28 C29 C30 168.6(7) . . . . ? Ru2 C28 C29 C30 55.5(7) . . . . ? C33 C28 C29 Ru2 -58.6(6) . . . . ? C34 C28 C29 Ru2 113.0(7) . . . . ? C28 Ru2 C29 C30 -131.1(8) . . . . ? C32 Ru2 C29 C30 -63.0(6) . . . . ? C33 Ru2 C29 C30 -99.2(6) . . . . ? C31 Ru2 C29 C30 -26.7(6) . . . . ? P2 Ru2 C29 C30 172.2(5) . . . . ? Cl4 Ru2 C29 C30 -21.4(13) . . . . ? Cl3 Ru2 C29 C30 76.2(6) . . . . ? C32 Ru2 C29 C28 68.2(5) . . . . ? C33 Ru2 C29 C28 31.9(5) . . . . ? C30 Ru2 C29 C28 131.1(8) . . . . ? C31 Ru2 C29 C28 104.4(6) . . . . ? P2 Ru2 C29 C28 -56.7(5) . . . . ? Cl4 Ru2 C29 C28 109.8(9) . . . . ? Cl3 Ru2 C29 C28 -152.6(5) . . . . ? C28 C29 C30 C31 -0.2(13) . . . . ? Ru2 C29 C30 C31 53.5(8) . . . . ? C28 C29 C30 Ru2 -53.7(6) . . . . ? C28 Ru2 C30 C31 -104.3(6) . . . . ? C29 Ru2 C30 C31 -134.7(9) . . . . ? C32 Ru2 C30 C31 -29.0(6) . . . . ? C33 Ru2 C30 C31 -65.3(6) . . . . ? P2 Ru2 C30 C31 -146.8(5) . . . . ? Cl4 Ru2 C30 C31 38.4(7) . . . . ? Cl3 Ru2 C30 C31 120.9(6) . . . . ? C28 Ru2 C30 C29 30.4(5) . . . . ? C32 Ru2 C30 C29 105.7(6) . . . . ? C33 Ru2 C30 C29 69.5(6) . . . . ? C31 Ru2 C30 C29 134.7(9) . . . . ? P2 Ru2 C30 C29 -12.0(8) . . . . ? Cl4 Ru2 C30 C29 173.2(4) . . . . ? Cl3 Ru2 C30 C29 -104.4(5) . . . . ? C29 C30 C31 C32 -0.2(13) . . . . ? Ru2 C30 C31 C32 51.5(7) . . . . ? C29 C30 C31 Ru2 -51.7(8) . . . . ? C28 Ru2 C31 C30 66.0(6) . . . . ? C29 Ru2 C31 C30 28.1(6) . . . . ? C32 Ru2 C31 C30 132.8(9) . . . . ? C33 Ru2 C31 C30 103.6(7) . . . . ? P2 Ru2 C31 C30 92.6(10) . . . . ? Cl4 Ru2 C31 C30 -150.5(5) . . . . ? Cl3 Ru2 C31 C30 -62.0(6) . . . . ? C28 Ru2 C31 C32 -66.8(6) . . . . ? C29 Ru2 C31 C32 -104.7(6) . . . . ? C33 Ru2 C31 C32 -29.2(6) . . . . ? C30 Ru2 C31 C32 -132.8(9) . . . . ? P2 Ru2 C31 C32 -40.2(13) . . . . ? Cl4 Ru2 C31 C32 76.7(6) . . . . ? Cl3 Ru2 C31 C32 165.2(5) . . . . ? C30 C31 C32 C33 4.1(13) . . . . ? Ru2 C31 C32 C33 56.6(7) . . . . ? C30 C31 C32 Ru2 -52.4(8) . . . . ? C28 Ru2 C32 C33 -28.6(5) . . . . ? C29 Ru2 C32 C33 -67.2(6) . . . . ? C30 Ru2 C32 C33 -103.7(6) . . . . ? C31 Ru2 C32 C33 -131.6(9) . . . . ? P2 Ru2 C32 C33 32.2(7) . . . . ? Cl4 Ru2 C32 C33 122.6(5) . . . . ? Cl3 Ru2 C32 C33 -154.0(4) . . . . ? C28 Ru2 C32 C31 103.0(7) . . . . ? C29 Ru2 C32 C31 64.4(6) . . . . ? C33 Ru2 C32 C31 131.6(9) . . . . ? C30 Ru2 C32 C31 27.9(6) . . . . ? P2 Ru2 C32 C31 163.8(5) . . . . ? Cl4 Ru2 C32 C31 -105.8(6) . . . . ? Cl3 Ru2 C32 C31 -22.4(8) . . . . ? C31 C32 C33 C28 -7.5(12) . . . . ? Ru2 C32 C33 C28 50.0(6) . . . . ? C31 C32 C33 Ru2 -57.5(7) . . . . ? C29 C28 C33 C32 6.9(11) . . . . ? C34 C28 C33 C32 -165.0(7) . . . . ? Ru2 C28 C33 C32 -51.3(7) . . . . ? C29 C28 C33 Ru2 58.2(6) . . . . ? C34 C28 C33 Ru2 -113.7(6) . . . . ? C28 Ru2 C33 C32 134.5(7) . . . . ? C29 Ru2 C33 C32 102.5(6) . . . . ? C30 Ru2 C33 C32 64.6(6) . . . . ? C31 Ru2 C33 C32 29.4(6) . . . . ? P2 Ru2 C33 C32 -154.4(5) . . . . ? Cl4 Ru2 C33 C32 -62.3(6) . . . . ? Cl3 Ru2 C33 C32 86.5(10) . . . . ? C29 Ru2 C33 C28 -32.0(5) . . . . ? C32 Ru2 C33 C28 -134.5(7) . . . . ? C30 Ru2 C33 C28 -69.8(5) . . . . ? C31 Ru2 C33 C28 -105.0(6) . . . . ? P2 Ru2 C33 C28 71.1(4) . . . . ? Cl4 Ru2 C33 C28 163.2(4) . . . . ? Cl3 Ru2 C33 C28 -48.0(10) . . . . ? C29 C28 C34 C38 -97.3(9) . . . . ? C33 C28 C34 C38 74.2(10) . . . . ? Ru2 C28 C34 C38 -11.6(10) . . . . ? C29 C28 C34 C35 80.9(10) . . . . ? C33 C28 C34 C35 -107.6(9) . . . . ? Ru2 C28 C34 C35 166.6(6) . . . . ? C38 C34 C35 C36 -0.6(9) . . . . ? C28 C34 C35 C36 -179.0(8) . . . . ? C34 C35 C36 C42 -178.8(8) . . . . ? C34 C35 C36 C37 -0.2(8) . . . . ? C42 C36 C37 C39 -1.5(11) . . . . ? C35 C36 C37 C39 179.8(7) . . . . ? C42 C36 C37 C38 179.5(7) . . . . ? C35 C36 C37 C38 0.8(8) . . . . ? C28 C34 C38 C37 179.6(7) . . . . ? C35 C34 C38 C37 1.1(9) . . . . ? C28 C34 C38 P2 7.9(10) . . . . ? C35 C34 C38 P2 -170.6(5) . . . . ? C39 C37 C38 C34 -179.9(8) . . . . ? C36 C37 C38 C34 -1.1(8) . . . . ? C39 C37 C38 P2 -10.5(13) . . . . ? C36 C37 C38 P2 168.3(6) . . . . ? C36 C37 C39 C40 0.8(11) . . . . ? C38 C37 C39 C40 179.5(7) . . . . ? C37 C39 C40 C41 -0.7(12) . . . . ? C39 C40 C41 C42 1.2(14) . . . . ? C40 C41 C42 C36 -1.8(14) . . . . ? C37 C36 C42 C41 2.0(12) . . . . ? C35 C36 C42 C41 -179.5(8) . . . . ? C48 C43 C44 C45 -56.0(8) . . . . ? P2 C43 C44 C45 177.5(5) . . . . ? C43 C44 C45 C46 54.6(10) . . . . ? C44 C45 C46 C47 -54.3(12) . . . . ? C45 C46 C47 C48 55.4(11) . . . . ? C46 C47 C48 C43 -55.4(10) . . . . ? C44 C43 C48 C47 55.7(8) . . . . ? P2 C43 C48 C47 -178.3(6) . . . . ? C54 C49 C50 C51 57.9(8) . . . . ? P2 C49 C50 C51 -173.6(5) . . . . ? C49 C50 C51 C52 -56.8(9) . . . . ? C50 C51 C52 C53 53.0(10) . . . . ? C51 C52 C53 C54 -51.2(10) . . . . ? C52 C53 C54 C49 52.6(10) . . . . ? C50 C49 C54 C53 -56.3(9) . . . . ? P2 C49 C54 C53 172.2(6) . . . . ? C7 C11 P1 C22 -126.1(6) . . . . ? C10 C11 P1 C22 41.5(8) . . . . ? C7 C11 P1 C16 122.1(6) . . . . ? C10 C11 P1 C16 -70.3(7) . . . . ? C7 C11 P1 Ru1 1.1(6) . . . . ? C10 C11 P1 Ru1 168.7(6) . . . . ? C27 C22 P1 C11 58.6(5) . . . . ? C23 C22 P1 C11 -174.8(5) . . . . ? C27 C22 P1 C16 172.7(5) . . . . ? C23 C22 P1 C16 -60.7(6) . . . . ? C27 C22 P1 Ru1 -54.9(5) . . . . ? C23 C22 P1 Ru1 71.7(6) . . . . ? C21 C16 P1 C11 73.3(6) . . . . ? C17 C16 P1 C11 -54.1(6) . . . . ? C21 C16 P1 C22 -36.4(6) . . . . ? C17 C16 P1 C22 -163.7(5) . . . . ? C21 C16 P1 Ru1 -173.1(5) . . . . ? C17 C16 P1 Ru1 59.5(5) . . . . ? C1 Ru1 P1 C11 1.9(3) . . . . ? C6 Ru1 P1 C11 -30.8(3) . . . . ? C2 Ru1 P1 C11 37.6(3) . . . . ? C3 Ru1 P1 C11 54.8(4) . . . . ? C5 Ru1 P1 C11 -41.7(4) . . . . ? C4 Ru1 P1 C11 16.9(10) . . . . ? Cl2 Ru1 P1 C11 -130.0(2) . . . . ? Cl1 Ru1 P1 C11 143.5(2) . . . . ? C1 Ru1 P1 C22 115.4(4) . . . . ? C6 Ru1 P1 C22 82.8(4) . . . . ? C2 Ru1 P1 C22 151.1(4) . . . . ? C3 Ru1 P1 C22 168.4(4) . . . . ? C5 Ru1 P1 C22 71.9(5) . . . . ? C4 Ru1 P1 C22 130.4(10) . . . . ? Cl2 Ru1 P1 C22 -16.4(3) . . . . ? Cl1 Ru1 P1 C22 -103.0(3) . . . . ? C1 Ru1 P1 C16 -115.6(3) . . . . ? C6 Ru1 P1 C16 -148.2(3) . . . . ? C2 Ru1 P1 C16 -79.8(3) . . . . ? C3 Ru1 P1 C16 -62.6(4) . . . . ? C5 Ru1 P1 C16 -159.1(4) . . . . ? C4 Ru1 P1 C16 -100.6(10) . . . . ? Cl2 Ru1 P1 C16 112.6(2) . . . . ? Cl1 Ru1 P1 C16 26.1(2) . . . . ? C34 C38 P2 C49 -122.6(6) . . . . ? C37 C38 P2 C49 68.4(7) . . . . ? C34 C38 P2 C43 125.9(6) . . . . ? C37 C38 P2 C43 -43.0(7) . . . . ? C34 C38 P2 Ru2 -1.2(6) . . . . ? C37 C38 P2 Ru2 -170.1(6) . . . . ? C54 C49 P2 C38 57.9(6) . . . . ? C50 C49 P2 C38 -70.2(6) . . . . ? C54 C49 P2 C43 166.4(5) . . . . ? C50 C49 P2 C43 38.4(6) . . . . ? C54 C49 P2 Ru2 -56.2(5) . . . . ? C50 C49 P2 Ru2 175.7(4) . . . . ? C44 C43 P2 C38 -58.2(5) . . . . ? C48 C43 P2 C38 175.6(5) . . . . ? C44 C43 P2 C49 -172.7(5) . . . . ? C48 C43 P2 C49 61.1(6) . . . . ? C44 C43 P2 Ru2 54.4(5) . . . . ? C48 C43 P2 Ru2 -71.7(5) . . . . ? C28 Ru2 P2 C38 -3.2(3) . . . . ? C29 Ru2 P2 C38 28.7(3) . . . . ? C32 Ru2 P2 C38 -58.5(4) . . . . ? C33 Ru2 P2 C38 -39.9(3) . . . . ? C30 Ru2 P2 C38 36.2(5) . . . . ? C31 Ru2 P2 C38 -29.8(9) . . . . ? Cl4 Ru2 P2 C38 -147.9(2) . . . . ? Cl3 Ru2 P2 C38 125.6(2) . . . . ? C28 Ru2 P2 C49 115.2(3) . . . . ? C29 Ru2 P2 C49 147.1(3) . . . . ? C32 Ru2 P2 C49 59.9(4) . . . . ? C33 Ru2 P2 C49 78.5(3) . . . . ? C30 Ru2 P2 C49 154.6(4) . . . . ? C31 Ru2 P2 C49 88.6(9) . . . . ? Cl4 Ru2 P2 C49 -29.5(2) . . . . ? Cl3 Ru2 P2 C49 -116.0(2) . . . . ? C28 Ru2 P2 C43 -115.4(3) . . . . ? C29 Ru2 P2 C43 -83.5(4) . . . . ? C32 Ru2 P2 C43 -170.6(4) . . . . ? C33 Ru2 P2 C43 -152.1(4) . . . . ? C30 Ru2 P2 C43 -76.0(5) . . . . ? C31 Ru2 P2 C43 -142.0(9) . . . . ? Cl4 Ru2 P2 C43 99.9(3) . . . . ? Cl3 Ru2 P2 C43 13.4(3) . . . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.01 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 2.068 _refine_diff_density_min -1.530 _refine_diff_density_rms 0.112 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 _platon_squeeze_void_content 1 0.003 0.000 0.000 540 83 ' ' 2 0.746 0.093 0.748 9 1 ' ' 3 0.371 0.500 0.500 540 83 ' ' 4 0.246 0.406 0.248 9 1 ' ' 5 0.754 0.593 0.752 9 1 ' ' 6 0.254 0.906 0.252 9 1 ' ' _platon_squeeze_details ; Single crystal of 8(H\~2\~O)\~2\~ suitable for X-ray diffraction was grown from the anhydrous CH\~2\~Cl\~2\~. The intensity of 1012 is independent reflection. Single crystal of 8(H\~2\~O)\~2\~ suitable for X-ray diffraction was grown from the anhydrous CH\~2\~Cl\~2\~. The intensity of 1012 is independent reflection. with I >2delta(I) were measured on a Bruker Smart Apex CCD area-detector diffractometer with Mo-K\a radiation (\l = 0.71073 ?). The structure was solved by direct methods and refined on F2 using SHELXL-97. Owing to the seriously disorder, unsolved solvent molecules, the contribution of the solvent molecules to the diffraction pattern was subtracted using the SQUEEZE procedure of PLATON. The result indicated that the solvent-accessible void in the unit cell has a volume of 1127.3 ?3 (consisting of about 19.5% of the crystal volume, equally distributed across two cavities). The residual electron density count amounted to 170 e per unit cell, corresponding to nearly 16 molecules of H~2~O (the content of each of the two cavities per unit cell being equivalent about 8 molecules of H~2~O, i.e. every molecule of 8 being distributed with 2 water molecules.) Crystal data for 8: C~27~H~33~Cl~2~PRu, Mr = 560.47, Monoclinic, space group P21/n, a = 16.7462(13), b =9.5164(7), c = 36.246(3) ?, Z = 8, V = 5769.3(8)?3, Dc = 1.291g.cm-3, \m = 0.796 mm-1, \qmax = 28.28, F(000) = 2304, reflections collected/unique, 10128/10128 (Rint = 0.0000), final R indices [I >2delta(I)] R1 = 0.0909, wR2 = 0.1834, R indices (all data) R1 = 0.0971, wR2 = 0.1862, GOF = 1.279 for all data. ; # Attachment '- t.cif' data_t _database_code_depnum_ccdc_archive 'CCDC 869891' #TrackingRef '- t.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H41 Cl2 O P Ru' _chemical_formula_weight 620.57 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' O O 0.0106 0.0060 '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' P P 0.1023 0.0942 '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 19.0835(15) _cell_length_b 9.3905(7) _cell_length_c 17.6437(14) _cell_angle_alpha 90.00 _cell_angle_beta 114.8920(10) _cell_angle_gamma 90.00 _cell_volume 2868.1(4) _cell_formula_units_Z 4 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 7339 _cell_measurement_theta_min 2.31 _cell_measurement_theta_max 28.29 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.437 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1288 _exptl_absorpt_coefficient_mu 0.810 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.8547 _exptl_absorpt_correction_T_max 0.9234 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 'CCD area detector' _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 25779 _diffrn_reflns_av_R_equivalents 0.0275 _diffrn_reflns_av_sigmaI/netI 0.0219 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.31 _diffrn_reflns_theta_max 28.33 _reflns_number_total 7102 _reflns_number_gt 6289 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker 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^)+(0.0457P)^2^+0.2040P] 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 7102 _refine_ls_number_parameters 325 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0303 _refine_ls_R_factor_gt 0.0260 _refine_ls_wR_factor_ref 0.0733 _refine_ls_wR_factor_gt 0.0709 _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_restrained_S_all 1.037 _refine_ls_shift/su_max 0.003 _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 0.124277(7) 0.232639(13) 0.448036(7) 0.03254(5) Uani 1 1 d . . . C1 C 0.12126(9) 0.14284(17) 0.33609(9) 0.0359(3) Uani 1 1 d . . . C2 C 0.09243(9) 0.03475(18) 0.37318(10) 0.0399(3) Uani 1 1 d . . . C3 C 0.03123(9) 0.07322(19) 0.39397(10) 0.0426(4) Uani 1 1 d . . . H3 H 0.0211 0.0112 0.4329 0.051 Uiso 1 1 calc R . . C4 C -0.00531(9) 0.2070(2) 0.37631(11) 0.0431(4) Uani 1 1 d . . . C5 C 0.02258(9) 0.3074(2) 0.33583(10) 0.0421(4) Uani 1 1 d . . . H5 H 0.0067 0.4068 0.3348 0.051 Uiso 1 1 calc R . . C6 C 0.08385(10) 0.27841(18) 0.31306(10) 0.0384(3) Uani 1 1 d . . . C7 C 0.12402(11) -0.11382(19) 0.38926(13) 0.0519(4) Uani 1 1 d . . . H7A H 0.1235 -0.1488 0.4401 0.078 Uiso 1 1 calc R . . H7B H 0.1761 -0.1135 0.3943 0.078 Uiso 1 1 calc R . . H7C H 0.0927 -0.1743 0.3437 0.078 Uiso 1 1 calc R . . C8 C -0.06982(12) 0.2417(2) 0.40066(15) 0.0592(5) Uani 1 1 d . . . H8A H -0.0748 0.3432 0.4028 0.089 Uiso 1 1 calc R . . H8B H -0.0587 0.2018 0.4546 0.089 Uiso 1 1 calc R . . H8C H -0.1172 0.2024 0.3602 0.089 Uiso 1 1 calc R . . C9 C 0.10532(10) 0.3860(2) 0.26371(11) 0.0481(4) Uani 1 1 d . . . H9A H 0.0726 0.3745 0.2053 0.072 Uiso 1 1 calc R . . H9B H 0.1582 0.3723 0.2731 0.072 Uiso 1 1 calc R . . H9C H 0.0989 0.4802 0.2811 0.072 Uiso 1 1 calc R . . C10 C 0.19588(9) 0.11624(17) 0.33102(9) 0.0368(3) Uani 1 1 d . . . C11 C 0.20583(10) 0.0478(2) 0.25958(11) 0.0485(4) Uani 1 1 d . . . H11A H 0.1806 -0.0443 0.2460 0.058 Uiso 1 1 calc R . . H11B H 0.1858 0.1078 0.2103 0.058 Uiso 1 1 calc R . . C12 C 0.29164(10) 0.03339(18) 0.29368(10) 0.0425(4) Uani 1 1 d . . . C13 C 0.33601(12) -0.0273(2) 0.25703(13) 0.0573(5) Uani 1 1 d . . . H13 H 0.3126 -0.0671 0.2039 0.069 Uiso 1 1 calc R . . C14 C 0.41474(12) -0.0280(2) 0.30006(14) 0.0640(6) Uani 1 1 d . . . H14 H 0.4449 -0.0690 0.2760 0.077 Uiso 1 1 calc R . . C15 C 0.45003(11) 0.0316(2) 0.37875(14) 0.0585(5) Uani 1 1 d . . . H15 H 0.5036 0.0311 0.4067 0.070 Uiso 1 1 calc R . . C16 C 0.40636(10) 0.09217(19) 0.41660(11) 0.0458(4) Uani 1 1 d . . . H16 H 0.4303 0.1316 0.4698 0.055 Uiso 1 1 calc R . . C17 C 0.32692(9) 0.09274(16) 0.37387(10) 0.0365(3) Uani 1 1 d . . . C18 C 0.26420(9) 0.14507(16) 0.39541(9) 0.0340(3) Uani 1 1 d . . . C19 C 0.30912(9) 0.40463(17) 0.50182(10) 0.0373(3) Uani 1 1 d . . . H19 H 0.2977 0.4549 0.5440 0.045 Uiso 1 1 calc R . . C20 C 0.27381(10) 0.49464(18) 0.42248(11) 0.0460(4) Uani 1 1 d . . . H20A H 0.2853 0.4514 0.3791 0.055 Uiso 1 1 calc R . . H20B H 0.2181 0.4972 0.4030 0.055 Uiso 1 1 calc R . . C21 C 0.30559(12) 0.6463(2) 0.43852(15) 0.0626(5) Uani 1 1 d . . . H21A H 0.2849 0.6990 0.3864 0.075 Uiso 1 1 calc R . . H21B H 0.2886 0.6932 0.4768 0.075 Uiso 1 1 calc R . . C22 C 0.39305(13) 0.6491(2) 0.47491(16) 0.0684(6) Uani 1 1 d . . . H22A H 0.4100 0.6150 0.4335 0.082 Uiso 1 1 calc R . . H22B H 0.4110 0.7464 0.4890 0.082 Uiso 1 1 calc R . . C23 C 0.42795(11) 0.5574(2) 0.55219(14) 0.0599(5) Uani 1 1 d . . . H23A H 0.4158 0.5978 0.5958 0.072 Uiso 1 1 calc R . . H23B H 0.4837 0.5565 0.5721 0.072 Uiso 1 1 calc R . . C24 C 0.39737(10) 0.40476(19) 0.53440(13) 0.0493(4) Uani 1 1 d . . . H24A H 0.4200 0.3487 0.5852 0.059 Uiso 1 1 calc R . . H24B H 0.4120 0.3620 0.4931 0.059 Uiso 1 1 calc R . . C25 C 0.32498(9) 0.12460(17) 0.57825(9) 0.0379(3) Uani 1 1 d . . . H25 H 0.3763 0.1246 0.5783 0.045 Uiso 1 1 calc R . . C26 C 0.29813(12) -0.02940(19) 0.57138(12) 0.0510(4) Uani 1 1 d . . . H26A H 0.3002 -0.0727 0.5225 0.061 Uiso 1 1 calc R . . H26B H 0.2449 -0.0318 0.5643 0.061 Uiso 1 1 calc R . . C27 C 0.34842(16) -0.1151(2) 0.64903(14) 0.0724(6) Uani 1 1 d . . . H27A H 0.3278 -0.2107 0.6444 0.087 Uiso 1 1 calc R . . H27B H 0.4004 -0.1222 0.6525 0.087 Uiso 1 1 calc R . . C28 C 0.35117(19) -0.0457(3) 0.72769(15) 0.0867(8) Uani 1 1 d . . . H28A H 0.2998 -0.0454 0.7262 0.104 Uiso 1 1 calc R . . H28B H 0.3846 -0.1006 0.7760 0.104 Uiso 1 1 calc R . . C29 C 0.38081(13) 0.1053(3) 0.73586(12) 0.0690(6) Uani 1 1 d . . . H29A H 0.4339 0.1041 0.7426 0.083 Uiso 1 1 calc R . . H29B H 0.3799 0.1485 0.7854 0.083 Uiso 1 1 calc R . . C30 C 0.33225(11) 0.1948(2) 0.65955(10) 0.0471(4) Uani 1 1 d . . . H30A H 0.3558 0.2879 0.6646 0.057 Uiso 1 1 calc R . . H30B H 0.2811 0.2081 0.6577 0.057 Uiso 1 1 calc R . . Cl1 Cl 0.13241(3) 0.14535(6) 0.58018(3) 0.05432(12) Uani 1 1 d . . . Cl2 Cl 0.13730(3) 0.46743(5) 0.50833(3) 0.05432(12) Uani 1 1 d . . . O1 O 0.01745(10) 0.1302(2) 0.12144(11) 0.0771(5) Uani 1 1 d D . . H1B H -0.0199(14) 0.089(3) 0.0845(16) 0.116 Uiso 1 1 d D . . H1A H 0.0411(16) 0.180(3) 0.0998(19) 0.116 Uiso 1 1 d D . . P1 P 0.26013(2) 0.22920(4) 0.48692(2) 0.03113(9) Uani 1 1 d . . . 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 0.03086(8) 0.03964(8) 0.02675(8) -0.00306(4) 0.01178(6) 0.00254(4) C1 0.0340(7) 0.0439(9) 0.0264(7) -0.0059(6) 0.0095(6) 0.0011(6) C2 0.0363(8) 0.0454(9) 0.0336(8) -0.0075(7) 0.0105(7) -0.0034(6) C3 0.0375(8) 0.0516(10) 0.0373(9) -0.0071(7) 0.0142(7) -0.0075(7) C4 0.0318(8) 0.0570(10) 0.0375(9) -0.0071(7) 0.0117(7) -0.0001(7) C5 0.0376(8) 0.0521(9) 0.0311(8) -0.0040(7) 0.0091(7) 0.0076(7) C6 0.0354(8) 0.0492(9) 0.0253(8) -0.0022(6) 0.0076(6) 0.0041(6) C7 0.0520(10) 0.0406(9) 0.0589(12) -0.0069(8) 0.0192(9) -0.0030(8) C8 0.0411(10) 0.0797(15) 0.0619(14) -0.0054(10) 0.0267(10) 0.0046(9) C9 0.0501(10) 0.0572(11) 0.0320(9) 0.0076(7) 0.0124(7) 0.0046(8) C10 0.0397(8) 0.0416(8) 0.0300(8) -0.0053(6) 0.0155(7) 0.0023(6) C11 0.0507(10) 0.0599(11) 0.0372(9) -0.0135(8) 0.0209(8) 0.0005(8) C12 0.0499(9) 0.0430(9) 0.0401(9) -0.0026(7) 0.0245(8) 0.0062(7) C13 0.0688(13) 0.0615(12) 0.0518(11) -0.0091(9) 0.0352(10) 0.0109(10) C14 0.0646(12) 0.0749(14) 0.0687(14) 0.0020(11) 0.0440(11) 0.0243(11) C15 0.0483(10) 0.0703(13) 0.0638(13) 0.0096(10) 0.0303(10) 0.0196(9) C16 0.0426(9) 0.0509(10) 0.0441(10) 0.0032(8) 0.0184(8) 0.0110(7) C17 0.0414(8) 0.0357(8) 0.0370(8) 0.0038(6) 0.0209(7) 0.0073(6) C18 0.0369(7) 0.0359(8) 0.0310(7) -0.0008(6) 0.0159(6) 0.0046(6) C19 0.0358(8) 0.0370(8) 0.0366(8) -0.0048(6) 0.0129(7) 0.0001(6) C20 0.0497(10) 0.0389(9) 0.0440(10) 0.0015(7) 0.0144(8) 0.0000(7) C21 0.0673(13) 0.0403(10) 0.0720(14) 0.0042(9) 0.0214(11) -0.0011(9) C22 0.0703(14) 0.0473(11) 0.0877(17) -0.0039(11) 0.0333(13) -0.0147(10) C23 0.0485(10) 0.0571(12) 0.0683(13) -0.0133(10) 0.0189(10) -0.0124(9) C24 0.0385(8) 0.0486(10) 0.0553(11) -0.0019(8) 0.0144(8) -0.0004(7) C25 0.0391(8) 0.0424(8) 0.0298(8) 0.0020(6) 0.0121(6) 0.0077(6) C26 0.0679(12) 0.0412(9) 0.0444(10) 0.0033(7) 0.0240(9) 0.0077(8) C27 0.1029(18) 0.0571(13) 0.0594(14) 0.0214(10) 0.0363(13) 0.0230(12) C28 0.128(2) 0.0853(18) 0.0492(13) 0.0263(12) 0.0401(15) 0.0224(16) C29 0.0737(14) 0.0929(17) 0.0315(10) 0.0056(10) 0.0134(10) 0.0219(12) C30 0.0478(10) 0.0573(10) 0.0313(8) -0.0033(8) 0.0117(7) 0.0074(8) Cl1 0.0522(2) 0.0798(3) 0.0354(2) 0.0045(2) 0.02279(19) -0.0033(2) Cl2 0.0473(2) 0.0507(2) 0.0590(3) -0.0179(2) 0.0166(2) 0.00874(18) O1 0.0743(11) 0.0838(12) 0.0718(11) -0.0086(9) 0.0293(9) -0.0275(9) P1 0.03152(19) 0.0342(2) 0.02596(19) -0.00212(14) 0.01041(16) 0.00325(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 C1 2.1260(15) . ? Ru1 C3 2.2087(16) . ? Ru1 C2 2.2115(16) . ? Ru1 C6 2.2146(16) . ? Ru1 C5 2.2235(16) . ? Ru1 C4 2.2672(16) . ? Ru1 P1 2.3866(5) . ? Ru1 Cl1 2.4140(5) . ? Ru1 Cl2 2.4150(5) . ? C1 C6 1.432(2) . ? C1 C2 1.437(2) . ? C1 C10 1.485(2) . ? C2 C3 1.411(2) . ? C2 C7 1.499(2) . ? C3 C4 1.407(2) . ? C3 H3 0.9800 . ? C4 C5 1.414(3) . ? C4 C8 1.501(2) . ? C5 C6 1.414(2) . ? C5 H5 0.9800 . ? C6 C9 1.499(2) . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 C18 1.348(2) . ? C10 C11 1.496(2) . ? C11 C12 1.494(2) . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C12 C13 1.386(2) . ? C12 C17 1.401(2) . ? C13 C14 1.369(3) . ? C13 H13 0.9300 . ? C14 C15 1.381(3) . ? C14 H14 0.9300 . ? C15 C16 1.390(2) . ? C15 H15 0.9300 . ? C16 C17 1.380(2) . ? C16 H16 0.9300 . ? C17 C18 1.484(2) . ? C18 P1 1.8282(15) . ? C19 C20 1.528(2) . ? C19 C24 1.534(2) . ? C19 P1 1.8574(16) . ? C19 H19 0.9800 . ? C20 C21 1.527(2) . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C21 C22 1.515(3) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 C23 1.510(3) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 C24 1.530(3) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C26 1.522(2) . ? C25 C30 1.531(2) . ? C25 P1 1.8478(16) . ? C25 H25 0.9800 . ? C26 C27 1.529(3) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C28 1.514(3) . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 C29 1.512(4) . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? C29 C30 1.526(3) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? O1 H1B 0.831(17) . ? O1 H1A 0.843(17) . ? 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 68.13(6) . . ? C1 Ru1 C2 38.63(6) . . ? C3 Ru1 C2 37.22(6) . . ? C1 Ru1 C6 38.46(6) . . ? C3 Ru1 C6 79.30(6) . . ? C2 Ru1 C6 68.72(6) . . ? C1 Ru1 C5 68.03(6) . . ? C3 Ru1 C5 65.64(7) . . ? C2 Ru1 C5 79.40(6) . . ? C6 Ru1 C5 37.14(6) . . ? C1 Ru1 C4 80.95(6) . . ? C3 Ru1 C4 36.61(6) . . ? C2 Ru1 C4 67.45(6) . . ? C6 Ru1 C4 67.41(6) . . ? C5 Ru1 C4 36.70(7) . . ? C1 Ru1 P1 82.13(4) . . ? C3 Ru1 P1 133.91(5) . . ? C2 Ru1 P1 98.77(4) . . ? C6 Ru1 P1 98.99(4) . . ? C5 Ru1 P1 134.08(5) . . ? C4 Ru1 P1 163.08(5) . . ? C1 Ru1 Cl1 136.74(5) . . ? C3 Ru1 Cl1 84.27(5) . . ? C2 Ru1 Cl1 100.44(5) . . ? C6 Ru1 Cl1 162.97(5) . . ? C5 Ru1 Cl1 130.11(5) . . ? C4 Ru1 Cl1 96.59(5) . . ? P1 Ru1 Cl1 95.589(15) . . ? C1 Ru1 Cl2 136.79(5) . . ? C3 Ru1 Cl2 136.39(5) . . ? C2 Ru1 Cl2 169.01(4) . . ? C6 Ru1 Cl2 102.78(5) . . ? C5 Ru1 Cl2 89.63(5) . . ? C4 Ru1 Cl2 103.21(5) . . ? P1 Ru1 Cl2 89.301(14) . . ? Cl1 Ru1 Cl2 86.083(19) . . ? C6 C1 C2 121.09(14) . . ? C6 C1 C10 120.57(14) . . ? C2 C1 C10 117.99(14) . . ? C6 C1 Ru1 74.12(9) . . ? C2 C1 Ru1 73.91(9) . . ? C10 C1 Ru1 118.10(10) . . ? C3 C2 C1 117.08(15) . . ? C3 C2 C7 120.02(16) . . ? C1 C2 C7 122.90(15) . . ? C3 C2 Ru1 71.28(9) . . ? C1 C2 Ru1 67.47(9) . . ? C7 C2 Ru1 132.97(12) . . ? C4 C3 C2 123.96(16) . . ? C4 C3 Ru1 73.96(10) . . ? C2 C3 Ru1 71.50(9) . . ? C4 C3 H3 117.4 . . ? C2 C3 H3 117.4 . . ? Ru1 C3 H3 117.4 . . ? C3 C4 C5 116.75(15) . . ? C3 C4 C8 121.35(17) . . ? C5 C4 C8 121.90(17) . . ? C3 C4 Ru1 69.43(9) . . ? C5 C4 Ru1 69.97(9) . . ? C8 C4 Ru1 130.60(13) . . ? C6 C5 C4 123.19(16) . . ? C6 C5 Ru1 71.09(9) . . ? C4 C5 Ru1 73.33(10) . . ? C6 C5 H5 117.7 . . ? C4 C5 H5 117.7 . . ? Ru1 C5 H5 117.7 . . ? C5 C6 C1 117.62(16) . . ? C5 C6 C9 119.76(15) . . ? C1 C6 C9 122.58(15) . . ? C5 C6 Ru1 71.77(9) . . ? C1 C6 Ru1 67.42(8) . . ? C9 C6 Ru1 134.32(12) . . ? 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 . . ? C4 C8 H8A 109.5 . . ? C4 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C4 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C6 C9 H9A 109.5 . . ? C6 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C6 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C18 C10 C1 121.82(13) . . ? C18 C10 C11 112.06(14) . . ? C1 C10 C11 126.01(14) . . ? C12 C11 C10 101.88(13) . . ? C12 C11 H11A 111.4 . . ? C10 C11 H11A 111.4 . . ? C12 C11 H11B 111.4 . . ? C10 C11 H11B 111.4 . . ? H11A C11 H11B 109.3 . . ? C13 C12 C17 120.42(16) . . ? C13 C12 C11 129.10(16) . . ? C17 C12 C11 110.48(13) . . ? C14 C13 C12 119.11(18) . . ? C14 C13 H13 120.4 . . ? C12 C13 H13 120.4 . . ? C13 C14 C15 120.85(17) . . ? C13 C14 H14 119.6 . . ? C15 C14 H14 119.6 . . ? C14 C15 C16 120.76(18) . . ? C14 C15 H15 119.6 . . ? C16 C15 H15 119.6 . . ? C17 C16 C15 118.81(17) . . ? C17 C16 H16 120.6 . . ? C15 C16 H16 120.6 . . ? C16 C17 C12 120.03(14) . . ? C16 C17 C18 132.88(15) . . ? C12 C17 C18 107.08(13) . . ? C10 C18 C17 108.42(13) . . ? C10 C18 P1 116.46(11) . . ? C17 C18 P1 135.08(12) . . ? C20 C19 C24 109.52(14) . . ? C20 C19 P1 111.06(11) . . ? C24 C19 P1 117.49(11) . . ? C20 C19 H19 106.0 . . ? C24 C19 H19 106.0 . . ? P1 C19 H19 106.0 . . ? C21 C20 C19 111.02(15) . . ? C21 C20 H20A 109.4 . . ? C19 C20 H20A 109.4 . . ? C21 C20 H20B 109.4 . . ? C19 C20 H20B 109.4 . . ? H20A C20 H20B 108.0 . . ? C22 C21 C20 112.05(16) . . ? C22 C21 H21A 109.2 . . ? C20 C21 H21A 109.2 . . ? C22 C21 H21B 109.2 . . ? C20 C21 H21B 109.2 . . ? H21A C21 H21B 107.9 . . ? C23 C22 C21 111.17(18) . . ? C23 C22 H22A 109.4 . . ? C21 C22 H22A 109.4 . . ? C23 C22 H22B 109.4 . . ? C21 C22 H22B 109.4 . . ? H22A C22 H22B 108.0 . . ? C22 C23 C24 111.35(17) . . ? C22 C23 H23A 109.4 . . ? C24 C23 H23A 109.4 . . ? C22 C23 H23B 109.4 . . ? C24 C23 H23B 109.4 . . ? H23A C23 H23B 108.0 . . ? C23 C24 C19 109.97(14) . . ? C23 C24 H24A 109.7 . . ? C19 C24 H24A 109.7 . . ? C23 C24 H24B 109.7 . . ? C19 C24 H24B 109.7 . . ? H24A C24 H24B 108.2 . . ? C26 C25 C30 112.25(15) . . ? C26 C25 P1 110.87(11) . . ? C30 C25 P1 110.57(11) . . ? C26 C25 H25 107.6 . . ? C30 C25 H25 107.6 . . ? P1 C25 H25 107.6 . . ? C25 C26 C27 111.42(17) . . ? C25 C26 H26A 109.3 . . ? C27 C26 H26A 109.3 . . ? C25 C26 H26B 109.3 . . ? C27 C26 H26B 109.3 . . ? H26A C26 H26B 108.0 . . ? C28 C27 C26 111.19(18) . . ? C28 C27 H27A 109.4 . . ? C26 C27 H27A 109.4 . . ? C28 C27 H27B 109.4 . . ? C26 C27 H27B 109.4 . . ? H27A C27 H27B 108.0 . . ? C29 C28 C27 111.0(2) . . ? C29 C28 H28A 109.4 . . ? C27 C28 H28A 109.4 . . ? C29 C28 H28B 109.4 . . ? C27 C28 H28B 109.4 . . ? H28A C28 H28B 108.0 . . ? C28 C29 C30 111.65(19) . . ? C28 C29 H29A 109.3 . . ? C30 C29 H29A 109.3 . . ? C28 C29 H29B 109.3 . . ? C30 C29 H29B 109.3 . . ? H29A C29 H29B 108.0 . . ? C29 C30 C25 111.81(16) . . ? C29 C30 H30A 109.3 . . ? C25 C30 H30A 109.3 . . ? C29 C30 H30B 109.3 . . ? C25 C30 H30B 109.3 . . ? H30A C30 H30B 107.9 . . ? H1B O1 H1A 110(3) . . ? C18 P1 C25 106.18(7) . . ? C18 P1 C19 107.60(7) . . ? C25 P1 C19 103.63(7) . . ? C18 P1 Ru1 101.35(5) . . ? C25 P1 Ru1 120.37(5) . . ? C19 P1 Ru1 116.73(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 C3 Ru1 C1 C6 100.58(10) . . . . ? C2 Ru1 C1 C6 129.86(14) . . . . ? C5 Ru1 C1 C6 29.07(10) . . . . ? C4 Ru1 C1 C6 64.86(10) . . . . ? P1 Ru1 C1 C6 -115.33(9) . . . . ? Cl1 Ru1 C1 C6 154.88(8) . . . . ? Cl2 Ru1 C1 C6 -34.84(12) . . . . ? C3 Ru1 C1 C2 -29.28(9) . . . . ? C6 Ru1 C1 C2 -129.86(14) . . . . ? C5 Ru1 C1 C2 -100.78(10) . . . . ? C4 Ru1 C1 C2 -65.00(10) . . . . ? P1 Ru1 C1 C2 114.82(9) . . . . ? Cl1 Ru1 C1 C2 25.02(11) . . . . ? Cl2 Ru1 C1 C2 -164.69(7) . . . . ? C3 Ru1 C1 C10 -142.84(14) . . . . ? C2 Ru1 C1 C10 -113.56(16) . . . . ? C6 Ru1 C1 C10 116.59(16) . . . . ? C5 Ru1 C1 C10 145.66(14) . . . . ? C4 Ru1 C1 C10 -178.55(13) . . . . ? P1 Ru1 C1 C10 1.26(12) . . . . ? Cl1 Ru1 C1 C10 -88.54(13) . . . . ? Cl2 Ru1 C1 C10 81.75(13) . . . . ? C6 C1 C2 C3 -6.6(2) . . . . ? C10 C1 C2 C3 166.65(14) . . . . ? Ru1 C1 C2 C3 52.96(13) . . . . ? C6 C1 C2 C7 172.81(15) . . . . ? C10 C1 C2 C7 -13.9(2) . . . . ? Ru1 C1 C2 C7 -127.63(16) . . . . ? C6 C1 C2 Ru1 -59.56(13) . . . . ? C10 C1 C2 Ru1 113.69(13) . . . . ? C1 Ru1 C2 C3 -131.38(14) . . . . ? C6 Ru1 C2 C3 -100.55(11) . . . . ? C5 Ru1 C2 C3 -63.43(10) . . . . ? C4 Ru1 C2 C3 -27.09(10) . . . . ? P1 Ru1 C2 C3 163.15(9) . . . . ? Cl1 Ru1 C2 C3 65.76(10) . . . . ? Cl2 Ru1 C2 C3 -60.0(3) . . . . ? C3 Ru1 C2 C1 131.38(14) . . . . ? C6 Ru1 C2 C1 30.82(9) . . . . ? C5 Ru1 C2 C1 67.94(9) . . . . ? C4 Ru1 C2 C1 104.29(10) . . . . ? P1 Ru1 C2 C1 -65.47(9) . . . . ? Cl1 Ru1 C2 C1 -162.86(8) . . . . ? Cl2 Ru1 C2 C1 71.4(3) . . . . ? C1 Ru1 C2 C7 114.7(2) . . . . ? C3 Ru1 C2 C7 -114.0(2) . . . . ? C6 Ru1 C2 C7 145.48(18) . . . . ? C5 Ru1 C2 C7 -177.40(18) . . . . ? C4 Ru1 C2 C7 -141.06(18) . . . . ? P1 Ru1 C2 C7 49.18(17) . . . . ? Cl1 Ru1 C2 C7 -48.21(17) . . . . ? Cl2 Ru1 C2 C7 -173.96(16) . . . . ? C1 C2 C3 C4 3.7(2) . . . . ? C7 C2 C3 C4 -175.76(16) . . . . ? Ru1 C2 C3 C4 54.79(15) . . . . ? C1 C2 C3 Ru1 -51.12(12) . . . . ? C7 C2 C3 Ru1 129.45(15) . . . . ? C1 Ru1 C3 C4 -104.84(11) . . . . ? C2 Ru1 C3 C4 -135.16(15) . . . . ? C6 Ru1 C3 C4 -66.36(10) . . . . ? C5 Ru1 C3 C4 -29.96(10) . . . . ? P1 Ru1 C3 C4 -158.58(8) . . . . ? Cl1 Ru1 C3 C4 109.17(10) . . . . ? Cl2 Ru1 C3 C4 30.99(13) . . . . ? C1 Ru1 C3 C2 30.32(10) . . . . ? C6 Ru1 C3 C2 68.80(10) . . . . ? C5 Ru1 C3 C2 105.20(11) . . . . ? C4 Ru1 C3 C2 135.16(15) . . . . ? P1 Ru1 C3 C2 -23.43(13) . . . . ? Cl1 Ru1 C3 C2 -115.68(10) . . . . ? Cl2 Ru1 C3 C2 166.15(8) . . . . ? C2 C3 C4 C5 -0.5(2) . . . . ? Ru1 C3 C4 C5 53.21(14) . . . . ? C2 C3 C4 C8 -179.55(17) . . . . ? Ru1 C3 C4 C8 -125.82(17) . . . . ? C2 C3 C4 Ru1 -53.73(14) . . . . ? C1 Ru1 C4 C3 65.28(10) . . . . ? C2 Ru1 C4 C3 27.50(10) . . . . ? C6 Ru1 C4 C3 102.86(11) . . . . ? C5 Ru1 C4 C3 130.43(15) . . . . ? P1 Ru1 C4 C3 64.6(2) . . . . ? Cl1 Ru1 C4 C3 -71.10(10) . . . . ? Cl2 Ru1 C4 C3 -158.60(9) . . . . ? C1 Ru1 C4 C5 -65.15(10) . . . . ? C3 Ru1 C4 C5 -130.43(15) . . . . ? C2 Ru1 C4 C5 -102.92(11) . . . . ? C6 Ru1 C4 C5 -27.57(10) . . . . ? P1 Ru1 C4 C5 -65.8(2) . . . . ? Cl1 Ru1 C4 C5 158.47(9) . . . . ? Cl2 Ru1 C4 C5 70.97(10) . . . . ? C1 Ru1 C4 C8 179.50(19) . . . . ? C3 Ru1 C4 C8 114.2(2) . . . . ? C2 Ru1 C4 C8 141.7(2) . . . . ? C6 Ru1 C4 C8 -142.9(2) . . . . ? C5 Ru1 C4 C8 -115.4(2) . . . . ? P1 Ru1 C4 C8 178.86(12) . . . . ? Cl1 Ru1 C4 C8 43.12(18) . . . . ? Cl2 Ru1 C4 C8 -44.38(18) . . . . ? C3 C4 C5 C6 0.2(2) . . . . ? C8 C4 C5 C6 179.20(17) . . . . ? Ru1 C4 C5 C6 53.12(14) . . . . ? C3 C4 C5 Ru1 -52.95(13) . . . . ? C8 C4 C5 Ru1 126.08(17) . . . . ? C1 Ru1 C5 C6 -30.04(10) . . . . ? C3 Ru1 C5 C6 -105.07(11) . . . . ? C2 Ru1 C5 C6 -68.64(10) . . . . ? C4 Ru1 C5 C6 -134.96(16) . . . . ? P1 Ru1 C5 C6 23.35(13) . . . . ? Cl1 Ru1 C5 C6 -163.42(8) . . . . ? Cl2 Ru1 C5 C6 112.02(10) . . . . ? C1 Ru1 C5 C4 104.92(11) . . . . ? C3 Ru1 C5 C4 29.89(10) . . . . ? C2 Ru1 C5 C4 66.32(10) . . . . ? C6 Ru1 C5 C4 134.96(16) . . . . ? P1 Ru1 C5 C4 158.31(8) . . . . ? Cl1 Ru1 C5 C4 -28.46(12) . . . . ? Cl2 Ru1 C5 C4 -113.02(10) . . . . ? C4 C5 C6 C1 -3.0(2) . . . . ? Ru1 C5 C6 C1 51.05(13) . . . . ? C4 C5 C6 C9 174.68(16) . . . . ? Ru1 C5 C6 C9 -131.22(15) . . . . ? C4 C5 C6 Ru1 -54.09(15) . . . . ? C2 C1 C6 C5 6.3(2) . . . . ? C10 C1 C6 C5 -166.75(14) . . . . ? Ru1 C1 C6 C5 -53.13(13) . . . . ? C2 C1 C6 C9 -171.32(15) . . . . ? C10 C1 C6 C9 15.6(2) . . . . ? Ru1 C1 C6 C9 129.22(16) . . . . ? C2 C1 C6 Ru1 59.46(13) . . . . ? C10 C1 C6 Ru1 -113.62(13) . . . . ? C1 Ru1 C6 C5 131.73(15) . . . . ? C3 Ru1 C6 C5 63.54(11) . . . . ? C2 Ru1 C6 C5 100.78(11) . . . . ? C4 Ru1 C6 C5 27.26(10) . . . . ? P1 Ru1 C6 C5 -163.24(10) . . . . ? Cl1 Ru1 C6 C5 48.2(2) . . . . ? Cl2 Ru1 C6 C5 -71.91(10) . . . . ? C3 Ru1 C6 C1 -68.19(10) . . . . ? C2 Ru1 C6 C1 -30.95(9) . . . . ? C5 Ru1 C6 C1 -131.73(15) . . . . ? C4 Ru1 C6 C1 -104.47(11) . . . . ? P1 Ru1 C6 C1 65.03(9) . . . . ? Cl1 Ru1 C6 C1 -83.55(17) . . . . ? Cl2 Ru1 C6 C1 156.36(8) . . . . ? C1 Ru1 C6 C9 -114.1(2) . . . . ? C3 Ru1 C6 C9 177.67(17) . . . . ? C2 Ru1 C6 C9 -145.09(18) . . . . ? C5 Ru1 C6 C9 114.1(2) . . . . ? C4 Ru1 C6 C9 141.38(18) . . . . ? P1 Ru1 C6 C9 -49.12(17) . . . . ? Cl1 Ru1 C6 C9 162.30(12) . . . . ? Cl2 Ru1 C6 C9 42.21(17) . . . . ? C6 C1 C10 C18 88.6(2) . . . . ? C2 C1 C10 C18 -84.7(2) . . . . ? Ru1 C1 C10 C18 1.2(2) . . . . ? C6 C1 C10 C11 -95.6(2) . . . . ? C2 C1 C10 C11 91.1(2) . . . . ? Ru1 C1 C10 C11 176.93(14) . . . . ? C18 C10 C11 C12 2.9(2) . . . . ? C1 C10 C11 C12 -173.24(16) . . . . ? C10 C11 C12 C13 177.65(19) . . . . ? C10 C11 C12 C17 -2.48(19) . . . . ? C17 C12 C13 C14 -0.3(3) . . . . ? C11 C12 C13 C14 179.6(2) . . . . ? C12 C13 C14 C15 -0.4(3) . . . . ? C13 C14 C15 C16 0.8(3) . . . . ? C14 C15 C16 C17 -0.4(3) . . . . ? C15 C16 C17 C12 -0.2(3) . . . . ? C15 C16 C17 C18 178.93(17) . . . . ? C13 C12 C17 C16 0.6(3) . . . . ? C11 C12 C17 C16 -179.29(16) . . . . ? C13 C12 C17 C18 -178.76(16) . . . . ? C11 C12 C17 C18 1.36(19) . . . . ? C1 C10 C18 C17 174.10(14) . . . . ? C11 C10 C18 C17 -2.2(2) . . . . ? C1 C10 C18 P1 -3.8(2) . . . . ? C11 C10 C18 P1 179.94(12) . . . . ? C16 C17 C18 C10 -178.73(17) . . . . ? C12 C17 C18 C10 0.50(18) . . . . ? C16 C17 C18 P1 -1.4(3) . . . . ? C12 C17 C18 P1 177.80(13) . . . . ? C24 C19 C20 C21 -57.10(19) . . . . ? P1 C19 C20 C21 171.49(13) . . . . ? C19 C20 C21 C22 55.1(2) . . . . ? C20 C21 C22 C23 -53.8(3) . . . . ? C21 C22 C23 C24 55.5(2) . . . . ? C22 C23 C24 C19 -58.3(2) . . . . ? C20 C19 C24 C23 58.6(2) . . . . ? P1 C19 C24 C23 -173.49(14) . . . . ? C30 C25 C26 C27 -52.4(2) . . . . ? P1 C25 C26 C27 -176.57(13) . . . . ? C25 C26 C27 C28 55.3(3) . . . . ? C26 C27 C28 C29 -57.4(3) . . . . ? C27 C28 C29 C30 56.6(3) . . . . ? C28 C29 C30 C25 -53.5(2) . . . . ? C26 C25 C30 C29 51.5(2) . . . . ? P1 C25 C30 C29 175.90(15) . . . . ? C10 C18 P1 C25 130.58(13) . . . . ? C17 C18 P1 C25 -46.56(17) . . . . ? C10 C18 P1 C19 -118.98(13) . . . . ? C17 C18 P1 C19 63.89(17) . . . . ? C10 C18 P1 Ru1 4.05(13) . . . . ? C17 C18 P1 Ru1 -173.09(15) . . . . ? C26 C25 P1 C18 -60.48(13) . . . . ? C30 C25 P1 C18 174.36(12) . . . . ? C26 C25 P1 C19 -173.70(12) . . . . ? C30 C25 P1 C19 61.14(13) . . . . ? C26 C25 P1 Ru1 53.57(13) . . . . ? C30 C25 P1 Ru1 -71.59(13) . . . . ? C20 C19 P1 C18 54.82(13) . . . . ? C24 C19 P1 C18 -72.35(14) . . . . ? C20 C19 P1 C25 167.01(11) . . . . ? C24 C19 P1 C25 39.84(14) . . . . ? C20 C19 P1 Ru1 -58.19(12) . . . . ? C24 C19 P1 Ru1 174.64(11) . . . . ? C1 Ru1 P1 C18 -2.49(6) . . . . ? C3 Ru1 P1 C18 46.57(8) . . . . ? C2 Ru1 P1 C18 32.49(7) . . . . ? C6 Ru1 P1 C18 -37.19(7) . . . . ? C5 Ru1 P1 C18 -51.21(8) . . . . ? C4 Ru1 P1 C18 -1.86(18) . . . . ? Cl1 Ru1 P1 C18 133.99(5) . . . . ? Cl2 Ru1 P1 C18 -140.02(5) . . . . ? C1 Ru1 P1 C25 -119.05(7) . . . . ? C3 Ru1 P1 C25 -69.98(9) . . . . ? C2 Ru1 P1 C25 -84.07(8) . . . . ? C6 Ru1 P1 C25 -153.74(7) . . . . ? C5 Ru1 P1 C25 -167.77(9) . . . . ? C4 Ru1 P1 C25 -118.41(18) . . . . ? Cl1 Ru1 P1 C25 17.43(6) . . . . ? Cl2 Ru1 P1 C25 103.43(6) . . . . ? C1 Ru1 P1 C19 114.02(7) . . . . ? C3 Ru1 P1 C19 163.08(8) . . . . ? C2 Ru1 P1 C19 149.00(7) . . . . ? C6 Ru1 P1 C19 79.32(7) . . . . ? C5 Ru1 P1 C19 65.30(9) . . . . ? C4 Ru1 P1 C19 114.65(18) . . . . ? Cl1 Ru1 P1 C19 -109.50(6) . . . . ? Cl2 Ru1 P1 C19 -23.51(6) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O1 H1A Cl1 0.843(17) 2.522(18) 3.3361(17) 162(3) 4_565 O1 H1B Cl2 0.831(17) 2.433(17) 3.2569(17) 171(3) 2_545 C5 H5 O1 0.98 2.35 3.290(3) 161.4 2 C26 H26B Cl1 0.97 2.82 3.624(2) 140.6 . C30 H30B Cl1 0.97 2.65 3.497(2) 146.5 . _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 28.33 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.632 _refine_diff_density_min -0.272 _refine_diff_density_rms 0.058