# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_complex-1 _database_code_depnum_ccdc_archive 'CCDC 888775' #TrackingRef 'Complex-1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C12 H38 O12 P4 Ru' _chemical_formula_sum 'C12 H38 O12 P4 Ru' _chemical_formula_weight 599.37 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' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall -P1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.000(5) _cell_length_b 19.007(5) _cell_length_c 20.695(4) _cell_angle_alpha 78.840(5) _cell_angle_beta 87.286(6) _cell_angle_gamma 79.763(5) _cell_volume 3797(2) _cell_formula_units_Z 6 _cell_measurement_temperature 153(1) _cell_measurement_reflns_used 14009 _cell_measurement_theta_min 2.91 _cell_measurement_theta_max 27.48 _exptl_crystal_description Block _exptl_crystal_colour Yellow _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.573 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1860 _exptl_absorpt_coefficient_mu 0.921 _exptl_absorpt_correction_type Gaussian _exptl_absorpt_correction_T_min 0.8517 _exptl_absorpt_correction_T_max 0.9554 _exptl_absorpt_process_details ; Absorption correction given as Gaussian ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(1) _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 _diffrn_measurement_method \w-scans _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22826 _diffrn_reflns_av_R_equivalents 0.0273 _diffrn_reflns_av_sigmaI/netI 0.0552 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 25.00 _reflns_number_total 13281 _reflns_number_gt 9531 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect software, Nonius B.V. 1998' _computing_cell_refinement 'Collect software, Nonius B.V. 1998' _computing_data_reduction ; DENZO and Scalepack (Otwinoski and Minor, 1997) ; _computing_structure_solution ; SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. ; _computing_structure_refinement 'XL SHELXTL/PC, Siemens Analytical' _computing_molecular_graphics 'XP SHELXTL/PC, Siemens Analytical' _computing_publication_material ? _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. ISOR was applied to all non-hydrogen atoms to allow their Uij components approximate to isotropic behavior (restraints 540). ; _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^)+(0.1460P)^2^+28.0879P] 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 13281 _refine_ls_number_parameters 784 _refine_ls_number_restraints 540 _refine_ls_R_factor_all 0.1137 _refine_ls_R_factor_gt 0.0852 _refine_ls_wR_factor_ref 0.2479 _refine_ls_wR_factor_gt 0.2314 _refine_ls_goodness_of_fit_ref 1.069 _refine_ls_restrained_S_all 1.071 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.65271(6) 0.21631(3) 1.05167(3) 0.0235(2) Uani 1 1 d U . . H1 H 0.7378 0.2416 1.0972 0.035 Uiso 1 1 d R . . H2 H 0.5393 0.2434 1.0929 0.035 Uiso 1 1 d R . . Ru2 Ru 0.22646(6) 0.86311(3) 0.39919(3) 0.0242(2) Uani 1 1 d U . . H3 H 0.0780 0.8879 0.4172 0.036 Uiso 1 1 d R . . H4 H 0.2310 0.7873 0.4487 0.036 Uiso 1 1 d R . . Ru3 Ru 1.08167(6) 0.57525(4) 0.71041(3) 0.0239(2) Uani 1 1 d U . . H5 H 1.1833 0.5860 0.7602 0.036 Uiso 1 1 d R . . H6 H 1.0768 0.6585 0.6878 0.036 Uiso 1 1 d R . . P1 P 0.5112(3) 0.16655(17) 0.99819(16) 0.0556(8) Uani 1 1 d U . . P2 P 0.5856(2) 0.33643(13) 1.01348(13) 0.0381(6) Uani 1 1 d U . . P3 P 0.7144(3) 0.11540(14) 1.13017(13) 0.0423(6) Uani 1 1 d U . . P4 P 0.8336(3) 0.20038(16) 0.98159(15) 0.0517(7) Uani 1 1 d U . . P5 P 0.2792(2) 0.90395(12) 0.48859(11) 0.0290(5) Uani 1 1 d U . . P6 P 0.4436(2) 0.81860(15) 0.37095(14) 0.0438(6) Uani 1 1 d U . . P7 P 0.2073(3) 0.96745(14) 0.32152(12) 0.0404(6) Uani 1 1 d U . . P8 P 0.1091(2) 0.80238(12) 0.34408(11) 0.0298(5) Uani 1 1 d U . . P9 P 0.9588(3) 0.61673(15) 0.79329(13) 0.0419(6) Uani 1 1 d U . . P10 P 1.2468(2) 0.57224(14) 0.63196(12) 0.0350(5) Uani 1 1 d U . . P11 P 1.1247(3) 0.45424(15) 0.75608(14) 0.0448(6) Uani 1 1 d U . . P12 P 0.8983(3) 0.56863(16) 0.65096(13) 0.0452(7) Uani 1 1 d U . . O1 O 0.4009(10) 0.1242(6) 1.0353(5) 0.090(3) Uani 1 1 d U . . O2 O 0.4315(8) 0.2197(5) 0.9390(4) 0.062(2) Uani 1 1 d U . . O3 O 0.5747(11) 0.1022(6) 0.9562(6) 0.097(3) Uani 1 1 d U . . O4 O 0.4582(7) 0.3687(4) 0.9664(3) 0.0459(17) Uani 1 1 d U . . O5 O 0.5418(7) 0.3881(4) 1.0671(4) 0.0512(18) Uani 1 1 d U . . O6 O 0.6921(7) 0.3755(3) 0.9679(4) 0.0465(17) Uani 1 1 d U . . O7 O 0.7405(8) 0.1279(4) 1.2037(4) 0.0554(19) Uani 1 1 d U . . O8 O 0.8515(8) 0.0573(4) 1.1276(4) 0.057(2) Uani 1 1 d U . . O9 O 0.6135(7) 0.0602(4) 1.1437(4) 0.0510(18) Uani 1 1 d U . . O10 O 0.8373(11) 0.2373(6) 0.9069(5) 0.097(3) Uani 1 1 d U . . O11 O 0.8993(7) 0.1188(4) 0.9796(4) 0.0547(19) Uani 1 1 d U . . O12 O 0.9781(10) 0.2237(6) 1.0002(5) 0.089(3) Uani 1 1 d U . . O13 O 0.1808(6) 0.8929(3) 0.5526(3) 0.0369(14) Uani 1 1 d U . . O14 O 0.2884(6) 0.9877(3) 0.4896(3) 0.0339(14) Uani 1 1 d U . . O15 O 0.4264(6) 0.8679(3) 0.5184(3) 0.0378(15) Uani 1 1 d U . . O16 O 0.5523(10) 0.8748(6) 0.3446(5) 0.089(3) Uani 1 1 d U . . O17 O 0.5470(10) 0.7669(6) 0.4205(5) 0.095(3) Uani 1 1 d U . . O18 O 0.4564(6) 0.7834(4) 0.3066(3) 0.0455(17) Uani 1 1 d U . . O19 O 0.2910(13) 0.9646(6) 0.2488(6) 0.095(3) Uani 1 1 d U . . O20 O 0.0746(11) 1.0085(6) 0.2912(6) 0.098(3) Uani 1 1 d U . . O21 O 0.2852(7) 1.0287(3) 0.3364(3) 0.0428(16) Uani 1 1 d U . . O22 O 0.0095(6) 0.7528(3) 0.3862(3) 0.0369(14) Uani 1 1 d U . . O23 O 0.0119(6) 0.8534(3) 0.2884(3) 0.0405(15) Uani 1 1 d U . . O24 O 0.1784(6) 0.7423(3) 0.3019(3) 0.0394(15) Uani 1 1 d U . . O25 O 1.0158(8) 0.6753(4) 0.8272(4) 0.057(2) Uani 1 1 d U . . O26 O 0.8073(7) 0.6549(4) 0.7759(4) 0.0504(18) Uani 1 1 d U . . O27 O 0.9242(8) 0.5653(4) 0.8620(4) 0.058(2) Uani 1 1 d U . . O28 O 1.2198(7) 0.5751(3) 0.5559(3) 0.0402(15) Uani 1 1 d U . . O29 O 1.3348(7) 0.6381(4) 0.6188(4) 0.0509(18) Uani 1 1 d U . . O30 O 1.3609(6) 0.5023(4) 0.6429(3) 0.0430(16) Uani 1 1 d U . . O31 O 1.2390(9) 0.4262(5) 0.8133(4) 0.064(2) Uani 1 1 d U . . O32 O 1.1779(8) 0.3913(4) 0.7156(4) 0.061(2) Uani 1 1 d U . . O33 O 1.0072(8) 0.4262(4) 0.8005(4) 0.059(2) Uani 1 1 d U . . O34 O 0.7724(9) 0.6317(5) 0.6368(5) 0.079(3) Uani 1 1 d U . . O35 O 0.8047(9) 0.5040(5) 0.6790(4) 0.072(2) Uani 1 1 d U . . O36 O 0.9310(6) 0.5433(4) 0.5825(3) 0.0415(16) Uani 1 1 d U . . C1 C 0.3171(12) 0.1448(7) 1.0937(6) 0.059(3) Uani 1 1 d U . . H1A H 0.2581 0.1100 1.1084 0.089 Uiso 1 1 calc R . . H1B H 0.2637 0.1923 1.0810 0.089 Uiso 1 1 calc R . . H1C H 0.3765 0.1451 1.1287 0.089 Uiso 1 1 calc R . . C2 C 0.3300(15) 0.1959(9) 0.9027(8) 0.088(4) Uani 1 1 d U . . H2A H 0.2927 0.2351 0.8684 0.132 Uiso 1 1 calc R . . H2B H 0.2585 0.1819 0.9324 0.132 Uiso 1 1 calc R . . H2C H 0.3724 0.1550 0.8838 0.132 Uiso 1 1 calc R . . C3 C 0.6567(14) 0.0357(7) 0.9866(7) 0.067(3) Uani 1 1 d U . . H3A H 0.6834 0.0054 0.9545 0.100 Uiso 1 1 calc R . . H3B H 0.6056 0.0108 1.0214 0.100 Uiso 1 1 calc R . . H3C H 0.7363 0.0461 1.0045 0.100 Uiso 1 1 calc R . . C4 C 0.3228(11) 0.3618(6) 0.9885(6) 0.053(3) Uani 1 1 d U . . H4A H 0.2605 0.3847 0.9536 0.080 Uiso 1 1 calc R . . H4B H 0.3008 0.3849 1.0258 0.080 Uiso 1 1 calc R . . H4C H 0.3160 0.3112 1.0007 0.080 Uiso 1 1 calc R . . C5 C 0.6229(12) 0.3868(6) 1.1217(6) 0.058(3) Uani 1 1 d U . . H5A H 0.5788 0.4220 1.1469 0.086 Uiso 1 1 calc R . . H5B H 0.7100 0.3983 1.1064 0.086 Uiso 1 1 calc R . . H5C H 0.6350 0.3392 1.1490 0.086 Uiso 1 1 calc R . . C6 C 0.6758(13) 0.4521(6) 0.9413(7) 0.068(3) Uani 1 1 d U . . H6A H 0.7546 0.4623 0.9153 0.101 Uiso 1 1 calc R . . H6B H 0.6652 0.4788 0.9766 0.101 Uiso 1 1 calc R . . H6C H 0.5968 0.4664 0.9141 0.101 Uiso 1 1 calc R . . C7 C 0.6386(13) 0.1749(7) 1.2359(6) 0.063(3) Uani 1 1 d U . . H7A H 0.6694 0.1760 1.2789 0.094 Uiso 1 1 calc R . . H7B H 0.5547 0.1564 1.2400 0.094 Uiso 1 1 calc R . . H7C H 0.6247 0.2233 1.2101 0.094 Uiso 1 1 calc R . . C8 C 0.9788(10) 0.0783(6) 1.1304(5) 0.047(2) Uani 1 1 d U . . H8A H 1.0496 0.0374 1.1286 0.070 Uiso 1 1 calc R . . H8B H 0.9849 0.0952 1.1708 0.070 Uiso 1 1 calc R . . H8C H 0.9888 0.1167 1.0938 0.070 Uiso 1 1 calc R . . C9 C 0.6264(14) -0.0047(7) 1.1925(7) 0.070(4) Uani 1 1 d U . . H9A H 0.5507 -0.0288 1.1899 0.105 Uiso 1 1 calc R . . H9B H 0.6277 0.0073 1.2354 0.105 Uiso 1 1 calc R . . H9C H 0.7093 -0.0364 1.1850 0.105 Uiso 1 1 calc R . . C10 C 0.7122(14) 0.2552(8) 0.8656(6) 0.072(4) Uani 1 1 d U . . H10A H 0.7337 0.2788 0.8220 0.108 Uiso 1 1 calc R . . H10B H 0.6433 0.2871 0.8850 0.108 Uiso 1 1 calc R . . H10C H 0.6795 0.2112 0.8635 0.108 Uiso 1 1 calc R . . C11 C 1.0177(13) 0.0985(8) 0.9403(7) 0.074(4) Uani 1 1 d U . . H11A H 1.0385 0.0464 0.9456 0.111 Uiso 1 1 calc R . . H11B H 1.0934 0.1163 0.9542 0.111 Uiso 1 1 calc R . . H11C H 0.9999 0.1192 0.8948 0.111 Uiso 1 1 calc R . . C12 C 0.9903(11) 0.2875(6) 1.0167(6) 0.050(3) Uani 1 1 d U . . H12A H 1.0844 0.2884 1.0229 0.075 Uiso 1 1 calc R . . H12B H 0.9404 0.2925 1.0568 0.075 Uiso 1 1 calc R . . H12C H 0.9547 0.3268 0.9821 0.075 Uiso 1 1 calc R . . C13 C 0.1335(11) 0.8254(6) 0.5775(5) 0.048(3) Uani 1 1 d U . . H13A H 0.0774 0.8301 0.6159 0.072 Uiso 1 1 calc R . . H13B H 0.2099 0.7871 0.5889 0.072 Uiso 1 1 calc R . . H13C H 0.0815 0.8139 0.5443 0.072 Uiso 1 1 calc R . . C14 C 0.1679(10) 1.0415(5) 0.4802(5) 0.039(2) Uani 1 1 d U . . H14A H 0.1896 1.0882 0.4820 0.059 Uiso 1 1 calc R . . H14B H 0.1027 1.0293 0.5143 0.059 Uiso 1 1 calc R . . H14C H 0.1303 1.0429 0.4380 0.059 Uiso 1 1 calc R . . C15 C 0.4774(11) 0.8901(6) 0.5727(5) 0.048(3) Uani 1 1 d U . . H15A H 0.5663 0.8625 0.5833 0.071 Uiso 1 1 calc R . . H15B H 0.4176 0.8818 0.6101 0.071 Uiso 1 1 calc R . . H15C H 0.4827 0.9410 0.5615 0.071 Uiso 1 1 calc R . . C16 C 0.5822(12) 0.9239(6) 0.3796(6) 0.055(3) Uani 1 1 d U . . H16A H 0.6468 0.9509 0.3552 0.082 Uiso 1 1 calc R . . H16B H 0.6203 0.8985 0.4211 0.082 Uiso 1 1 calc R . . H16C H 0.5008 0.9567 0.3870 0.082 Uiso 1 1 calc R . . C17 C 0.5119(12) 0.7113(6) 0.4739(6) 0.057(3) Uani 1 1 d U . . H17A H 0.5931 0.6850 0.4961 0.085 Uiso 1 1 calc R . . H17B H 0.4676 0.6784 0.4564 0.085 Uiso 1 1 calc R . . H17C H 0.4519 0.7339 0.5044 0.085 Uiso 1 1 calc R . . C18 C 0.5825(14) 0.7488(8) 0.2831(7) 0.077(4) Uani 1 1 d U . . H18A H 0.5676 0.7315 0.2439 0.116 Uiso 1 1 calc R . . H18B H 0.6211 0.7085 0.3162 0.116 Uiso 1 1 calc R . . H18C H 0.6439 0.7831 0.2733 0.116 Uiso 1 1 calc R . . C19 C 0.2687(12) 0.9194(6) 0.2100(5) 0.053(3) Uani 1 1 d U . . H19A H 0.3232 0.9267 0.1706 0.079 Uiso 1 1 calc R . . H19B H 0.1744 0.9291 0.1986 0.079 Uiso 1 1 calc R . . H19C H 0.2925 0.8700 0.2328 0.079 Uiso 1 1 calc R . . C20 C -0.0561(12) 1.0132(6) 0.3242(5) 0.057(3) Uani 1 1 d U . . H20A H -0.1209 1.0496 0.2980 0.086 Uiso 1 1 calc R . . H20B H -0.0487 1.0261 0.3664 0.086 Uiso 1 1 calc R . . H20C H -0.0857 0.9670 0.3302 0.086 Uiso 1 1 calc R . . C21 C 0.2790(13) 1.0976(6) 0.2930(6) 0.060(3) Uani 1 1 d U . . H21A H 0.3316 1.1269 0.3107 0.090 Uiso 1 1 calc R . . H21B H 0.1862 1.1219 0.2888 0.090 Uiso 1 1 calc R . . H21C H 0.3150 1.0902 0.2506 0.090 Uiso 1 1 calc R . . C22 C -0.0957(10) 0.7819(6) 0.4272(6) 0.051(3) Uani 1 1 d U . . H22A H -0.1444 0.7442 0.4480 0.077 Uiso 1 1 calc R . . H22B H -0.1569 0.8203 0.4009 0.077 Uiso 1 1 calc R . . H22C H -0.0567 0.8009 0.4602 0.077 Uiso 1 1 calc R . . C23 C -0.0715(14) 0.8231(7) 0.2496(7) 0.073(4) Uani 1 1 d U . . H23A H -0.1222 0.8616 0.2186 0.109 Uiso 1 1 calc R . . H23B H -0.1333 0.7978 0.2781 0.109 Uiso 1 1 calc R . . H23C H -0.0146 0.7897 0.2263 0.109 Uiso 1 1 calc R . . C24 C 0.2526(11) 0.6747(5) 0.3339(5) 0.046(2) Uani 1 1 d U . . H24A H 0.2862 0.6454 0.3018 0.069 Uiso 1 1 calc R . . H24B H 0.1941 0.6498 0.3648 0.069 Uiso 1 1 calc R . . H24C H 0.3277 0.6833 0.3568 0.069 Uiso 1 1 calc R . . C25 C 1.0553(12) 0.7415(6) 0.7870(6) 0.058(3) Uani 1 1 d U . . H25A H 1.0863 0.7696 0.8153 0.087 Uiso 1 1 calc R . . H25B H 0.9783 0.7699 0.7627 0.087 Uiso 1 1 calc R . . H25C H 1.1270 0.7280 0.7569 0.087 Uiso 1 1 calc R . . C26 C 0.7129(13) 0.6898(8) 0.8190(7) 0.077(4) Uani 1 1 d U . . H26A H 0.6281 0.7086 0.7969 0.115 Uiso 1 1 calc R . . H26B H 0.7488 0.7290 0.8310 0.115 Uiso 1 1 calc R . . H26C H 0.6985 0.6551 0.8579 0.115 Uiso 1 1 calc R . . C27 C 1.0302(13) 0.5303(7) 0.9046(5) 0.057(3) Uani 1 1 d U . . H27A H 0.9944 0.5015 0.9425 0.085 Uiso 1 1 calc R . . H27B H 1.0739 0.5660 0.9182 0.085 Uiso 1 1 calc R . . H27C H 1.0950 0.4994 0.8822 0.085 Uiso 1 1 calc R . . C28 C 1.1415(11) 0.6376(6) 0.5189(5) 0.046(2) Uani 1 1 d U . . H28A H 1.1354 0.6309 0.4744 0.068 Uiso 1 1 calc R . . H28B H 1.1837 0.6791 0.5191 0.068 Uiso 1 1 calc R . . H28C H 1.0519 0.6453 0.5380 0.068 Uiso 1 1 calc R . . C29 C 1.3977(13) 0.6584(7) 0.6727(7) 0.066(3) Uani 1 1 d U . . H29A H 1.4460 0.6975 0.6556 0.099 Uiso 1 1 calc R . . H29B H 1.4598 0.6173 0.6947 0.099 Uiso 1 1 calc R . . H29C H 1.3287 0.6738 0.7033 0.099 Uiso 1 1 calc R . . C30 C 1.4782(11) 0.4912(7) 0.5999(6) 0.061(3) Uani 1 1 d U . . H30A H 1.5326 0.4446 0.6157 0.091 Uiso 1 1 calc R . . H30B H 1.5312 0.5288 0.5994 0.091 Uiso 1 1 calc R . . H30C H 1.4486 0.4930 0.5561 0.091 Uiso 1 1 calc R . . C31 C 1.3792(11) 0.4325(7) 0.8000(6) 0.056(3) Uani 1 1 d U . . H31A H 1.4311 0.4123 0.8391 0.083 Uiso 1 1 calc R . . H31B H 1.3867 0.4829 0.7864 0.083 Uiso 1 1 calc R . . H31C H 1.4134 0.4065 0.7656 0.083 Uiso 1 1 calc R . . C32 C 1.1289(11) 0.3947(6) 0.6478(5) 0.048(3) Uani 1 1 d U . . H32A H 1.1705 0.3517 0.6320 0.072 Uiso 1 1 calc R . . H32B H 1.1526 0.4368 0.6190 0.072 Uiso 1 1 calc R . . H32C H 1.0319 0.3979 0.6490 0.072 Uiso 1 1 calc R . . C33 C 1.0090(16) 0.3509(7) 0.8303(7) 0.078(4) Uani 1 1 d U . . H33A H 0.9269 0.3463 0.8556 0.116 Uiso 1 1 calc R . . H33B H 1.0859 0.3340 0.8587 0.116 Uiso 1 1 calc R . . H33C H 1.0154 0.3222 0.7965 0.116 Uiso 1 1 calc R . . C34 C 0.7937(14) 0.7126(7) 0.6208(7) 0.072(4) Uani 1 1 d U . . H34A H 0.7073 0.7441 0.6134 0.107 Uiso 1 1 calc R . . H34B H 0.8499 0.7202 0.5821 0.107 Uiso 1 1 calc R . . H34C H 0.8372 0.7235 0.6572 0.107 Uiso 1 1 calc R . . C35 C 0.7268(13) 0.5074(8) 0.7388(7) 0.068(3) Uani 1 1 d U . . H35A H 0.6786 0.4672 0.7486 0.102 Uiso 1 1 calc R . . H35B H 0.6630 0.5522 0.7335 0.102 Uiso 1 1 calc R . . H35C H 0.7867 0.5052 0.7744 0.102 Uiso 1 1 calc R . . C36 C 0.8272(11) 0.5410(7) 0.5389(6) 0.056(3) Uani 1 1 d U . . H36A H 0.8676 0.5241 0.5004 0.083 Uiso 1 1 calc R . . H36B H 0.7750 0.5889 0.5261 0.083 Uiso 1 1 calc R . . H36C H 0.7688 0.5085 0.5606 0.083 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0238(4) 0.0219(4) 0.0249(4) -0.0031(3) 0.0005(3) -0.0058(3) Ru2 0.0218(4) 0.0234(4) 0.0266(4) -0.0054(3) -0.0015(3) -0.0009(3) Ru3 0.0227(4) 0.0267(4) 0.0230(4) -0.0062(3) 0.0008(3) -0.0044(3) P1 0.0630(19) 0.0534(18) 0.0565(18) -0.0104(14) -0.0095(14) -0.0237(14) P2 0.0375(13) 0.0322(13) 0.0436(14) -0.0046(11) -0.0076(11) -0.0044(10) P3 0.0415(14) 0.0355(14) 0.0459(15) -0.0006(11) 0.0016(11) -0.0048(11) P4 0.0554(17) 0.0438(16) 0.0545(17) -0.0084(13) 0.0189(14) -0.0107(13) P5 0.0286(11) 0.0282(12) 0.0303(12) -0.0069(9) -0.0034(9) -0.0030(9) P6 0.0283(12) 0.0554(17) 0.0490(15) -0.0230(13) 0.0012(11) 0.0028(11) P7 0.0532(15) 0.0336(13) 0.0345(13) 0.0000(10) -0.0111(11) -0.0122(11) P8 0.0302(11) 0.0290(12) 0.0301(12) -0.0066(9) -0.0036(9) -0.0026(9) P9 0.0419(14) 0.0507(16) 0.0363(13) -0.0180(12) 0.0038(11) -0.0071(11) P10 0.0319(12) 0.0392(14) 0.0356(13) -0.0103(10) 0.0012(10) -0.0073(10) P11 0.0481(15) 0.0404(15) 0.0432(15) -0.0040(12) 0.0022(12) -0.0055(12) P12 0.0305(13) 0.0655(18) 0.0423(14) -0.0218(13) -0.0014(11) -0.0025(12) O1 0.085(6) 0.098(6) 0.095(6) -0.014(5) 0.000(5) -0.039(5) O2 0.062(4) 0.075(5) 0.053(4) -0.022(4) -0.012(4) -0.012(4) O3 0.101(6) 0.090(6) 0.112(7) -0.044(5) -0.014(5) -0.021(5) O4 0.045(4) 0.046(4) 0.045(4) -0.002(3) -0.011(3) -0.008(3) O5 0.051(4) 0.041(4) 0.063(4) -0.018(3) -0.010(3) -0.001(3) O6 0.049(4) 0.026(3) 0.061(4) 0.000(3) 0.008(3) -0.007(3) O7 0.060(4) 0.056(4) 0.045(4) 0.002(3) -0.003(3) -0.006(3) O8 0.055(4) 0.048(4) 0.063(4) -0.003(4) -0.001(4) -0.001(3) O9 0.052(4) 0.033(4) 0.060(4) 0.013(3) 0.001(3) -0.012(3) O10 0.100(6) 0.099(6) 0.075(6) -0.002(5) 0.022(5) 0.009(5) O11 0.045(4) 0.061(4) 0.056(4) -0.020(4) 0.015(3) 0.001(3) O12 0.071(5) 0.091(6) 0.114(7) -0.036(5) 0.030(5) -0.029(5) O13 0.042(3) 0.041(4) 0.029(3) -0.008(3) 0.003(3) -0.012(3) O14 0.035(3) 0.029(3) 0.038(3) -0.008(3) -0.003(3) -0.004(2) O15 0.035(3) 0.039(3) 0.039(3) -0.011(3) -0.011(3) 0.001(3) O16 0.068(5) 0.098(6) 0.116(7) -0.058(5) 0.022(5) -0.022(5) O17 0.084(4) 0.097(5) 0.094(5) -0.013(4) 0.000(4) 0.005(4) O18 0.034(3) 0.051(4) 0.053(4) -0.024(3) 0.011(3) 0.001(3) O19 0.102(5) 0.092(5) 0.092(5) -0.024(4) 0.001(4) -0.019(4) O20 0.089(5) 0.094(5) 0.105(5) 0.007(4) -0.013(4) -0.022(4) O21 0.052(4) 0.033(3) 0.042(4) 0.003(3) -0.006(3) -0.011(3) O22 0.037(3) 0.038(3) 0.037(3) -0.008(3) 0.001(3) -0.010(3) O23 0.042(3) 0.039(4) 0.042(4) -0.006(3) -0.020(3) -0.006(3) O24 0.042(3) 0.037(3) 0.042(3) -0.014(3) -0.002(3) -0.007(3) O25 0.062(4) 0.064(5) 0.050(4) -0.028(4) 0.000(3) -0.009(4) O26 0.040(4) 0.058(4) 0.056(4) -0.030(3) 0.016(3) -0.001(3) O27 0.063(4) 0.073(5) 0.044(4) -0.017(4) 0.011(3) -0.020(4) O28 0.046(4) 0.038(4) 0.036(3) -0.005(3) 0.001(3) -0.010(3) O29 0.047(4) 0.056(4) 0.058(4) -0.018(3) 0.006(3) -0.026(3) O30 0.034(3) 0.049(4) 0.042(4) -0.009(3) 0.008(3) 0.001(3) O31 0.068(5) 0.065(5) 0.055(4) -0.005(4) -0.007(4) -0.008(4) O32 0.073(5) 0.048(4) 0.061(4) -0.015(4) -0.008(4) -0.001(4) O33 0.067(5) 0.051(4) 0.055(4) 0.004(3) 0.005(4) -0.020(4) O34 0.063(5) 0.095(6) 0.084(6) -0.038(5) -0.022(4) 0.006(4) O35 0.069(5) 0.093(6) 0.061(5) -0.023(4) 0.005(4) -0.029(4) O36 0.041(3) 0.052(4) 0.037(3) -0.012(3) -0.009(3) -0.014(3) C1 0.050(6) 0.065(6) 0.067(6) -0.016(5) 0.005(5) -0.019(5) C2 0.078(7) 0.114(9) 0.080(7) -0.019(7) -0.030(6) -0.028(7) C3 0.076(7) 0.049(6) 0.079(7) -0.023(5) 0.012(6) -0.013(5) C4 0.044(5) 0.050(6) 0.063(6) -0.006(5) -0.016(5) -0.002(4) C5 0.065(6) 0.051(6) 0.061(6) -0.024(5) -0.023(5) 0.000(5) C6 0.065(6) 0.047(6) 0.085(7) 0.003(5) -0.013(6) -0.009(5) C7 0.074(7) 0.070(7) 0.046(6) -0.020(5) 0.009(5) -0.007(5) C8 0.037(5) 0.050(5) 0.052(5) -0.002(4) -0.007(4) -0.007(4) C9 0.071(7) 0.050(6) 0.078(7) 0.015(5) 0.002(6) -0.015(5) C10 0.069(7) 0.101(8) 0.056(6) -0.022(6) 0.011(5) -0.038(6) C11 0.069(7) 0.072(7) 0.080(7) -0.026(6) 0.034(6) -0.005(5) C12 0.046(5) 0.053(6) 0.054(6) -0.008(5) 0.003(4) -0.018(4) C13 0.053(5) 0.048(5) 0.043(5) -0.003(4) 0.010(4) -0.020(4) C14 0.047(5) 0.028(4) 0.043(5) -0.009(4) 0.003(4) -0.003(4) C15 0.049(5) 0.044(5) 0.049(5) -0.011(4) -0.012(4) -0.001(4) C16 0.049(5) 0.058(6) 0.059(6) -0.010(5) 0.002(5) -0.018(5) C17 0.056(6) 0.041(5) 0.071(6) -0.009(5) -0.010(5) -0.001(5) C18 0.062(6) 0.087(7) 0.085(7) -0.040(6) 0.016(6) 0.003(6) C19 0.063(6) 0.055(6) 0.042(5) -0.015(5) 0.005(5) -0.009(5) C20 0.068(6) 0.047(6) 0.043(5) -0.003(4) 0.001(5) 0.020(5) C21 0.071(6) 0.051(6) 0.059(6) 0.001(5) -0.007(5) -0.023(5) C22 0.039(5) 0.057(6) 0.057(6) -0.009(5) 0.003(4) -0.012(4) C23 0.078(7) 0.071(7) 0.071(7) -0.009(6) -0.032(6) -0.014(6) C24 0.051(5) 0.037(5) 0.052(5) -0.016(4) 0.002(4) -0.005(4) C25 0.062(6) 0.051(6) 0.069(6) -0.026(5) -0.004(5) -0.018(5) C26 0.067(7) 0.094(8) 0.070(7) -0.040(6) 0.013(6) 0.006(6) C27 0.074(7) 0.060(6) 0.038(5) -0.008(5) -0.003(5) -0.016(5) C28 0.054(5) 0.049(5) 0.035(5) -0.007(4) -0.001(4) -0.014(4) C29 0.059(6) 0.071(7) 0.083(7) -0.030(6) -0.011(5) -0.030(5) C30 0.045(5) 0.072(7) 0.060(6) -0.013(5) 0.016(5) 0.000(5) C31 0.052(6) 0.059(6) 0.053(6) -0.008(5) -0.013(5) -0.003(5) C32 0.055(5) 0.041(5) 0.051(5) -0.016(4) -0.011(5) -0.004(4) C33 0.093(8) 0.059(7) 0.076(7) 0.005(6) 0.022(6) -0.027(6) C34 0.065(7) 0.070(7) 0.075(7) -0.011(6) -0.012(6) 0.003(5) C35 0.062(6) 0.073(7) 0.071(7) -0.014(6) 0.010(5) -0.019(5) C36 0.045(5) 0.072(7) 0.052(6) -0.015(5) -0.013(5) -0.010(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 P2 2.257(3) . ? Ru1 P1 2.269(3) . ? Ru1 P3 2.273(3) . ? Ru1 P4 2.279(3) . ? Ru1 H1 1.4964 . ? Ru1 H2 1.4662 . ? Ru2 P5 2.258(2) . ? Ru2 P8 2.265(2) . ? Ru2 P6 2.279(3) . ? Ru2 P7 2.284(3) . ? Ru2 H3 1.5271 . ? Ru2 H4 1.5928 . ? Ru3 P9 2.248(3) . ? Ru3 P10 2.262(2) . ? Ru3 P11 2.283(3) . ? Ru3 P12 2.291(3) . ? Ru3 H5 1.5462 . ? Ru3 H6 1.5535 . ? P1 O1 1.565(10) . ? P1 O2 1.576(9) . ? P1 O3 1.655(11) . ? P2 O6 1.578(7) . ? P2 O4 1.599(7) . ? P2 O5 1.615(7) . ? P3 O9 1.559(7) . ? P3 O8 1.606(8) . ? P3 O7 1.625(8) . ? P4 O10 1.570(10) . ? P4 O11 1.580(8) . ? P4 O12 1.667(10) . ? P5 O15 1.607(6) . ? P5 O13 1.615(6) . ? P5 O14 1.616(6) . ? P6 O17 1.560(11) . ? P6 O18 1.592(7) . ? P6 O16 1.658(10) . ? P7 O20 1.512(11) . ? P7 O21 1.593(7) . ? P7 O19 1.692(12) . ? P8 O23 1.597(6) . ? P8 O22 1.604(6) . ? P8 O24 1.611(6) . ? P9 O26 1.585(7) . ? P9 O25 1.620(8) . ? P9 O27 1.623(8) . ? P10 O30 1.577(7) . ? P10 O28 1.598(7) . ? P10 O29 1.628(7) . ? P11 O33 1.562(8) . ? P11 O32 1.592(8) . ? P11 O31 1.631(9) . ? P12 O34 1.573(9) . ? P12 O36 1.585(7) . ? P12 O35 1.674(9) . ? O1 C1 1.512(15) . ? O2 C2 1.471(15) . ? O3 C3 1.429(16) . ? O4 C4 1.427(13) . ? O5 C5 1.417(12) . ? O6 C6 1.436(13) . ? O7 C7 1.456(13) . ? O8 C8 1.408(12) . ? O9 C9 1.426(13) . ? O10 C10 1.500(16) . ? O11 C11 1.443(13) . ? O12 C12 1.348(14) . ? O13 C13 1.441(11) . ? O14 C14 1.428(11) . ? O15 C15 1.420(12) . ? O16 C16 1.366(14) . ? O17 C17 1.451(15) . ? O18 C18 1.425(13) . ? O19 C19 1.336(15) . ? O20 C20 1.443(15) . ? O21 C21 1.430(13) . ? O22 C22 1.423(12) . ? O23 C23 1.444(13) . ? O24 C24 1.421(12) . ? O25 C25 1.472(14) . ? O26 C26 1.432(12) . ? O27 C27 1.397(14) . ? O28 C28 1.409(12) . ? O29 C29 1.451(13) . ? O30 C30 1.449(12) . ? O31 C31 1.438(14) . ? O32 C32 1.494(12) . ? O33 C33 1.442(14) . ? O34 C34 1.560(16) . ? O35 C35 1.437(14) . ? O36 C36 1.419(12) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? 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 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? C32 H32A 0.9600 . ? C32 H32B 0.9600 . ? C32 H32C 0.9600 . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C34 H34A 0.9600 . ? C34 H34B 0.9600 . ? C34 H34C 0.9600 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? 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 P2 Ru1 P1 101.86(11) . . ? P2 Ru1 P3 155.31(10) . . ? P1 Ru1 P3 95.62(11) . . ? P2 Ru1 P4 96.75(10) . . ? P1 Ru1 P4 96.24(12) . . ? P3 Ru1 P4 98.55(11) . . ? P2 Ru1 H1 84.0 . . ? P1 Ru1 H1 170.4 . . ? P3 Ru1 H1 76.6 . . ? P4 Ru1 H1 90.5 . . ? P2 Ru1 H2 71.4 . . ? P1 Ru1 H2 90.5 . . ? P3 Ru1 H2 91.3 . . ? P4 Ru1 H2 167.4 . . ? H1 Ru1 H2 84.1 . . ? P5 Ru2 P8 154.40(9) . . ? P5 Ru2 P6 96.57(9) . . ? P8 Ru2 P6 100.52(9) . . ? P5 Ru2 P7 100.78(9) . . ? P8 Ru2 P7 96.49(9) . . ? P6 Ru2 P7 95.29(11) . . ? P5 Ru2 H3 86.4 . . ? P8 Ru2 H3 75.7 . . ? P6 Ru2 H3 175.9 . . ? P7 Ru2 H3 86.9 . . ? P5 Ru2 H4 84.6 . . ? P8 Ru2 H4 77.8 . . ? P6 Ru2 H4 86.0 . . ? P7 Ru2 H4 174.3 . . ? H3 Ru2 H4 91.5 . . ? P9 Ru3 P10 156.24(10) . . ? P9 Ru3 P11 98.94(10) . . ? P10 Ru3 P11 96.88(10) . . ? P9 Ru3 P12 95.50(10) . . ? P10 Ru3 P12 100.50(10) . . ? P11 Ru3 P12 95.54(11) . . ? P9 Ru3 H5 72.8 . . ? P10 Ru3 H5 90.5 . . ? P11 Ru3 H5 87.0 . . ? P12 Ru3 H5 168.3 . . ? P9 Ru3 H6 79.6 . . ? P10 Ru3 H6 81.3 . . ? P11 Ru3 H6 168.5 . . ? P12 Ru3 H6 96.0 . . ? H5 Ru3 H6 81.7 . . ? O1 P1 O2 103.6(5) . . ? O1 P1 O3 94.7(6) . . ? O2 P1 O3 95.9(5) . . ? O1 P1 Ru1 122.3(4) . . ? O2 P1 Ru1 115.5(3) . . ? O3 P1 Ru1 119.8(4) . . ? O6 P2 O4 96.4(4) . . ? O6 P2 O5 103.6(4) . . ? O4 P2 O5 96.4(4) . . ? O6 P2 Ru1 115.5(3) . . ? O4 P2 Ru1 123.4(3) . . ? O5 P2 Ru1 117.5(3) . . ? O9 P3 O8 97.5(4) . . ? O9 P3 O7 102.4(4) . . ? O8 P3 O7 94.6(4) . . ? O9 P3 Ru1 116.3(3) . . ? O8 P3 Ru1 124.4(3) . . ? O7 P3 Ru1 117.2(3) . . ? O10 P4 O11 102.1(5) . . ? O10 P4 O12 95.1(6) . . ? O11 P4 O12 94.6(5) . . ? O10 P4 Ru1 125.5(4) . . ? O11 P4 Ru1 115.9(3) . . ? O12 P4 Ru1 117.8(4) . . ? O15 P5 O13 102.4(3) . . ? O15 P5 O14 97.6(3) . . ? O13 P5 O14 95.8(3) . . ? O15 P5 Ru2 114.7(2) . . ? O13 P5 Ru2 117.5(2) . . ? O14 P5 Ru2 124.6(2) . . ? O17 P6 O18 105.4(5) . . ? O17 P6 O16 93.0(6) . . ? O18 P6 O16 95.0(4) . . ? O17 P6 Ru2 123.5(4) . . ? O18 P6 Ru2 114.4(3) . . ? O16 P6 Ru2 120.3(4) . . ? O20 P7 O21 105.0(5) . . ? O20 P7 O19 95.2(6) . . ? O21 P7 O19 92.0(5) . . ? O20 P7 Ru2 124.2(4) . . ? O21 P7 Ru2 116.0(3) . . ? O19 P7 Ru2 118.4(4) . . ? O23 P8 O22 102.9(4) . . ? O23 P8 O24 98.1(4) . . ? O22 P8 O24 95.6(3) . . ? O23 P8 Ru2 114.4(3) . . ? O22 P8 Ru2 117.6(2) . . ? O24 P8 Ru2 124.3(3) . . ? O26 P9 O25 102.9(4) . . ? O26 P9 O27 96.9(4) . . ? O25 P9 O27 95.6(4) . . ? O26 P9 Ru3 115.5(3) . . ? O25 P9 Ru3 117.8(3) . . ? O27 P9 Ru3 124.0(3) . . ? O30 P10 O28 97.8(4) . . ? O30 P10 O29 102.5(4) . . ? O28 P10 O29 95.2(4) . . ? O30 P10 Ru3 115.5(3) . . ? O28 P10 Ru3 124.0(3) . . ? O29 P10 Ru3 117.5(3) . . ? O33 P11 O32 104.3(5) . . ? O33 P11 O31 94.5(5) . . ? O32 P11 O31 95.4(4) . . ? O33 P11 Ru3 114.7(3) . . ? O32 P11 Ru3 124.1(3) . . ? O31 P11 Ru3 118.5(3) . . ? O34 P12 O36 104.3(4) . . ? O34 P12 O35 94.5(5) . . ? O36 P12 O35 93.8(4) . . ? O34 P12 Ru3 123.3(4) . . ? O36 P12 Ru3 116.3(3) . . ? O35 P12 Ru3 119.0(3) . . ? C1 O1 P1 124.9(8) . . ? C2 O2 P1 121.2(9) . . ? C3 O3 P1 121.8(9) . . ? C4 O4 P2 121.7(7) . . ? C5 O5 P2 123.0(7) . . ? C6 O6 P2 125.5(7) . . ? C7 O7 P3 120.1(7) . . ? C8 O8 P3 120.1(7) . . ? C9 O9 P3 126.6(8) . . ? C10 O10 P4 121.5(9) . . ? C11 O11 P4 123.5(8) . . ? C12 O12 P4 125.7(8) . . ? C13 O13 P5 122.7(6) . . ? C14 O14 P5 119.3(6) . . ? C15 O15 P5 121.7(6) . . ? C16 O16 P6 123.4(8) . . ? C17 O17 P6 124.8(9) . . ? C18 O18 P6 123.0(8) . . ? C19 O19 P7 121.7(10) . . ? C20 O20 P7 125.3(9) . . ? C21 O21 P7 122.1(7) . . ? C22 O22 P8 121.7(6) . . ? C23 O23 P8 121.2(7) . . ? C24 O24 P8 120.3(6) . . ? C25 O25 P9 121.1(7) . . ? C26 O26 P9 125.6(8) . . ? C27 O27 P9 119.1(7) . . ? C28 O28 P10 119.7(6) . . ? C29 O29 P10 121.1(7) . . ? C30 O30 P10 124.1(7) . . ? C31 O31 P11 121.4(7) . . ? C32 O32 P11 121.6(7) . . ? C33 O33 P11 123.8(8) . . ? C34 O34 P12 120.0(8) . . ? C35 O35 P12 119.0(8) . . ? C36 O36 P12 122.2(7) . . ? O1 C1 H1A 109.5 . . ? O1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? O1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? O2 C2 H2A 109.5 . . ? O2 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? O2 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? O3 C3 H3A 109.5 . . ? O3 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? O3 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? O4 C4 H4A 109.5 . . ? O4 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? O4 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O5 C5 H5A 109.5 . . ? O5 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? O5 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O6 C6 H6A 109.5 . . ? O6 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? O6 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? O7 C7 H7A 109.5 . . ? O7 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? O7 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? O8 C8 H8A 109.5 . . ? O8 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? O8 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O9 C9 H9A 109.5 . . ? O9 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? O9 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? O10 C10 H10A 109.5 . . ? O10 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? O10 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? O11 C11 H11A 109.5 . . ? O11 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? O11 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? O12 C12 H12A 109.5 . . ? O12 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? O12 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? O13 C13 H13A 109.5 . . ? O13 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? O13 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? O14 C14 H14A 109.5 . . ? O14 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O14 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? O15 C15 H15A 109.5 . . ? O15 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? O15 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? O16 C16 H16A 109.5 . . ? O16 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? O16 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? O17 C17 H17A 109.5 . . ? O17 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? O17 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? O18 C18 H18A 109.5 . . ? O18 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? O18 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? O19 C19 H19A 109.5 . . ? O19 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? O19 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? O20 C20 H20A 109.5 . . ? O20 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? O20 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? O21 C21 H21A 109.5 . . ? O21 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? O21 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? O22 C22 H22A 109.5 . . ? O22 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? O22 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? O23 C23 H23A 109.5 . . ? O23 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? O23 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? O24 C24 H24A 109.5 . . ? O24 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? O24 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? O25 C25 H25A 109.5 . . ? O25 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? O25 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? O26 C26 H26A 109.5 . . ? O26 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? O26 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? O27 C27 H27A 109.5 . . ? O27 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? O27 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? O28 C28 H28A 109.5 . . ? O28 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? O28 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? O29 C29 H29A 109.5 . . ? O29 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? O29 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? O30 C30 H30A 109.5 . . ? O30 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? O30 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? O31 C31 H31A 109.5 . . ? O31 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? O31 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? O32 C32 H32A 109.5 . . ? O32 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? O32 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? O33 C33 H33A 109.5 . . ? O33 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? O33 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? O34 C34 H34A 109.5 . . ? O34 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O34 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? O35 C35 H35A 109.5 . . ? O35 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? O35 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? O36 C36 H36A 109.5 . . ? O36 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? O36 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 3.173 _refine_diff_density_min -1.310 _refine_diff_density_rms 0.198 data_complex-2 _database_code_depnum_ccdc_archive 'CCDC 888776' #TrackingRef 'Complex-2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H62 O12 P4 Ru' _chemical_formula_sum 'C24 H62 O12 P4 Ru' _chemical_formula_weight 767.69 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' 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 Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall -P1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.465(2) _cell_length_b 18.064(4) _cell_length_c 18.784(4) _cell_angle_alpha 100.57(3) _cell_angle_beta 99.47(3) _cell_angle_gamma 96.97(3) _cell_volume 3725.7(13) _cell_formula_units_Z 4 _cell_measurement_temperature 153(1) _cell_measurement_reflns_used 11724 _cell_measurement_theta_min 1.00 _cell_measurement_theta_max 27.48 _exptl_crystal_description Block _exptl_crystal_colour Yellow _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.07 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.369 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1624 _exptl_absorpt_coefficient_mu 0.643 _exptl_absorpt_correction_type Gaussian _exptl_absorpt_correction_T_min 0.8986 _exptl_absorpt_correction_T_max 0.9564 _exptl_absorpt_process_details ; Absorption correction given as Gaussian ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(1) _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 _diffrn_measurement_method \w-scans _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 21350 _diffrn_reflns_av_R_equivalents 0.0490 _diffrn_reflns_av_sigmaI/netI 0.1030 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.44 _diffrn_reflns_theta_max 25.00 _reflns_number_total 13004 _reflns_number_gt 7994 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect software, Nonius B.V. 1998' _computing_cell_refinement 'Collect software, Nonius B.V. 1998' _computing_data_reduction ; DENZO and Scalepack (Otwinoski and Minor, 1997) ; _computing_structure_solution ; SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. ; _computing_structure_refinement 'XL SHELXTL/PC, Siemens Analytical' _computing_molecular_graphics 'XP SHELXTL/PC, Siemens Analytical' _computing_publication_material ? _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. ISOR was applied to all non-hydrogen atoms to allow their Uij components approximate to isotropic behavior. Four P(O-Et)3 ligands are disordered. ; _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^)+(0.1415P)^2^+30.1237P] 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 13004 _refine_ls_number_parameters 858 _refine_ls_number_restraints 599 _refine_ls_R_factor_all 0.1559 _refine_ls_R_factor_gt 0.0967 _refine_ls_wR_factor_ref 0.2489 _refine_ls_wR_factor_gt 0.2215 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.027 _refine_ls_shift/su_max 0.006 _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 0.14911(7) 0.26077(4) 0.22928(4) 0.0316(2) Uani 1 1 d U . . H1 H 0.2242 0.2157 0.2803 0.038 Uiso 1 1 d R . . H2 H 0.2293 0.3338 0.2635 0.038 Uiso 1 1 d R . . Ru2 Ru 0.47233(7) 0.27803(5) 0.69018(4) 0.0380(3) Uani 1 1 d U . . H3 H 0.4051 0.3288 0.6389 0.046 Uiso 1 1 d R A . H4 H 0.5454 0.3562 0.7211 0.046 Uiso 1 1 d R . . P1 P 0.0321(2) 0.14619(15) 0.17940(15) 0.0424(7) Uani 1 1 d U . . P2 P 0.3028(2) 0.23867(15) 0.17105(14) 0.0373(6) Uani 1 1 d U . . P3 P 0.0744(3) 0.29785(17) 0.33161(15) 0.0464(7) Uani 1 1 d U . . P4 P 0.0475(2) 0.33143(16) 0.15926(15) 0.0418(7) Uani 1 1 d U . . P5 P 0.5087(4) 0.2189(2) 0.5805(2) 0.0459(10) Uani 0.701(3) 1 d PU A 1 P6 P 0.2897(3) 0.2235(2) 0.6924(2) 0.0409(10) Uani 0.701(3) 1 d PU A 1 P7 P 0.5832(3) 0.2135(2) 0.7602(2) 0.0406(10) Uani 0.701(3) 1 d PDU A 1 P8 P 0.4735(3) 0.3864(2) 0.7755(2) 0.0351(9) Uani 0.701(3) 1 d PU A 1 O14 O 0.4154(12) 0.1505(8) 0.5250(7) 0.080(4) Uani 0.701(3) 1 d PDU A 1 O18 O 0.2638(11) 0.1948(7) 0.7659(7) 0.073(4) Uani 0.701(3) 1 d PU A 1 O19 O 0.5838(10) 0.1245(6) 0.7331(6) 0.061(3) Uani 0.701(3) 1 d PU A 1 O13 O 0.5317(14) 0.2615(8) 0.5175(8) 0.096(5) Uani 0.701(3) 1 d PDU A 1 O22 O 0.5326(7) 0.3984(5) 0.8620(5) 0.040(2) Uani 0.701(3) 1 d PDU A 1 O23 O 0.5335(9) 0.4682(6) 0.7644(5) 0.046(3) Uani 0.701(3) 1 d PDU A 1 O21 O 0.7264(5) 0.2345(6) 0.7832(6) 0.056(3) Uani 0.701(3) 1 d PDU A 1 C26 C 0.5962(19) 0.3444(10) 0.5315(14) 0.108(8) Uani 0.701(3) 1 d PDU A 1 H26A H 0.5945 0.3698 0.5807 0.129 Uiso 0.701(3) 1 d PR A 1 H26B H 0.5556 0.3711 0.4977 0.129 Uiso 0.701(3) 1 d PR A 1 P5' P 0.6255(7) 0.2325(5) 0.6550(5) 0.039(2) Uani 0.299(3) 1 d PDU A 2 P6' P 0.3403(8) 0.1579(5) 0.6391(5) 0.037(2) Uani 0.299(3) 1 d PU A 2 P7' P 0.4884(8) 0.2537(5) 0.8101(5) 0.036(2) Uani 0.299(3) 1 d PDU A 2 P8' P 0.3324(7) 0.3525(5) 0.7023(4) 0.033(2) Uani 0.299(3) 1 d PDU A 2 O19' O 0.365(2) 0.0806(14) 0.6628(15) 0.056(7) Uani 0.299(3) 1 d PU A 2 O13' O 0.7464(16) 0.2830(10) 0.6496(9) 0.18(2) Uani 0.299(3) 1 d PDU A 2 O18' O 0.389(3) 0.250(2) 0.8542(18) 0.086(9) Uani 0.299(3) 1 d PU A 2 O14' O 0.323(3) 0.122(2) 0.5479(18) 0.089(10) Uani 0.299(3) 1 d PU A 2 O22' O 0.581(5) 0.327(2) 0.858(2) 0.20(2) Uani 0.299(3) 1 d PDU A 2 O23' O 0.3524(19) 0.4113(10) 0.6598(6) 0.076(9) Uani 0.299(3) 1 d PDU A 2 O21' O 0.6718(13) 0.1934(10) 0.7217(6) 0.22(3) Uani 0.299(3) 1 d PDU A 2 C26' C 0.678(5) 0.322(3) 0.592(3) 0.13(2) Uani 0.299(3) 1 d PDU A 2 H26C H 0.6395 0.3600 0.6177 0.154 Uiso 0.299(3) 1 d PR A 2 H26D H 0.6112 0.2796 0.5683 0.154 Uiso 0.299(3) 1 d PR A 2 H32C H 0.7900 0.2957 0.7478 0.154 Uiso 0.50 1 d PR A 2 H32D H 0.8188 0.2336 0.6906 0.154 Uiso 0.50 1 d PR A 2 H36C H 0.2562 0.2215 0.7900 0.154 Uiso 0.50 1 d PR A 2 H36D H 0.2454 0.2945 0.8457 0.154 Uiso 0.50 1 d PR A 2 H44C H 0.6352 0.4557 0.8801 0.154 Uiso 0.50 1 d PR A 2 H44D H 0.7456 0.4133 0.8725 0.154 Uiso 0.50 1 d PR A 2 H25D H 0.6690 0.3740 0.4962 0.192 Uiso 0.50 1 d PR A 2 H25E H 0.7933 0.4008 0.5497 0.192 Uiso 0.50 1 d PR A 2 H25F H 0.7645 0.3189 0.4994 0.192 Uiso 0.50 1 d PR A 2 H28C H 0.3699 0.2175 0.4937 0.154 Uiso 0.50 1 d PR A 2 H28D H 0.2325 0.2013 0.4917 0.154 Uiso 0.50 1 d PR A 2 H46D H 0.4912 0.4913 0.7462 0.154 Uiso 0.50 1 d PR A 2 H46C H 0.5337 0.4774 0.6701 0.154 Uiso 0.50 1 d PR A 2 H4C H 0.1158 0.1581 0.0372 0.154 Uiso 0.50 1 d PR A 2 H4D H -0.0035 0.1874 0.0449 0.154 Uiso 0.50 1 d PR A 2 H38C H 0.5085 0.0914 0.7631 0.154 Uiso 0.50 1 d PR A 2 H38D H 0.5447 0.0777 0.6864 0.154 Uiso 0.50 1 d PR A 2 O1 O -0.1077(6) 0.1399(4) 0.1833(5) 0.057(2) Uani 1 1 d U . . O2 O 0.0264(7) 0.1023(4) 0.0955(4) 0.058(2) Uani 1 1 d U B . O3 O 0.0553(7) 0.0741(4) 0.2168(4) 0.0525(19) Uani 1 1 d U . . O4 O 0.2974(6) 0.1523(4) 0.1295(4) 0.0449(17) Uani 1 1 d U . . O5 O 0.4358(6) 0.2568(4) 0.2207(4) 0.0464(17) Uani 1 1 d U . . O6 O 0.3361(6) 0.2797(4) 0.1060(4) 0.0426(17) Uani 1 1 d U . . O7 O -0.0344(8) 0.2481(5) 0.3547(5) 0.069(2) Uani 1 1 d U . . O8 O 0.1627(8) 0.3125(5) 0.4111(4) 0.072(2) Uani 1 1 d U . . O9 O 0.0168(7) 0.3746(4) 0.3351(4) 0.057(2) Uani 1 1 d U . . O10 O 0.0837(7) 0.3336(5) 0.0809(4) 0.0540(19) Uani 1 1 d U . . O11 O -0.0945(6) 0.3097(4) 0.1291(4) 0.0466(18) Uani 1 1 d U . . O12 O 0.0442(7) 0.4210(4) 0.1924(4) 0.0538(19) Uani 1 1 d U . . O15 O 0.6095(7) 0.1655(5) 0.5873(4) 0.065(2) Uani 1 1 d DU . . O16 O 0.1941(11) 0.3148(9) 0.6759(6) 0.111(7) Uani 1 1 d DU . . O17 O 0.2333(9) 0.1456(6) 0.6405(6) 0.092(3) Uani 1 1 d U . . O20 O 0.5633(9) 0.2147(6) 0.8409(5) 0.081(3) Uani 1 1 d U . . O24 O 0.3331(7) 0.3964(4) 0.7842(4) 0.056(2) Uani 1 1 d DU . . C1 C -0.3046(15) 0.0785(11) 0.1493(11) 0.111(6) Uani 1 1 d U . . H1A H -0.3544 0.0295 0.1335 0.167 Uiso 1 1 calc R . . H1B H -0.3207 0.1084 0.1125 0.167 Uiso 1 1 calc R . . H1C H -0.3215 0.1042 0.1950 0.167 Uiso 1 1 calc R . . C2 C -0.1872(13) 0.0691(9) 0.1589(9) 0.087(4) Uani 1 1 d U . . H2A H -0.1708 0.0428 0.1125 0.105 Uiso 1 1 calc R . . H2B H -0.1721 0.0374 0.1948 0.105 Uiso 1 1 calc R . . C3 C -0.0921(16) 0.1440(18) -0.0091(15) 0.075(11) Uani 0.50(3) 1 d PDU B 1 H3A H -0.0789 0.1719 -0.0466 0.113 Uiso 0.50(3) 1 d PR B 1 H3B H -0.1634 0.1556 0.0082 0.113 Uiso 0.50(3) 1 d PR B 1 H3C H -0.1005 0.0895 -0.0298 0.113 Uiso 0.50(3) 1 d PR B 1 C3' C -0.025(3) 0.101(2) -0.0346(17) 0.092(12) Uani 0.50(3) 1 d PU B 2 H3'A H -0.0122 0.1329 -0.0688 0.138 Uiso 0.50(3) 1 d PR B 2 H3'B H 0.0117 0.0561 -0.0460 0.138 Uiso 0.50(3) 1 d PR B 2 H3'C H -0.1094 0.0859 -0.0382 0.138 Uiso 0.50(3) 1 d PR B 2 C4 C 0.0324(12) 0.1403(8) 0.0351(7) 0.075(4) Uani 1 1 d DU . . H4A H 0.1043 0.1311 0.0162 0.090 Uiso 0.50 1 d PR B . H4B H 0.0404 0.1946 0.0547 0.090 Uiso 0.50 1 d PR . . C5 C 0.1464(12) -0.0323(7) 0.2431(7) 0.068(3) Uani 1 1 d U . . H5A H 0.2182 -0.0545 0.2423 0.102 Uiso 1 1 calc R . . H5B H 0.0800 -0.0671 0.2117 0.102 Uiso 1 1 calc R . . H5C H 0.1320 -0.0222 0.2926 0.102 Uiso 1 1 calc R . . C6 C 0.1604(10) 0.0419(6) 0.2156(7) 0.054(3) Uani 1 1 d U . . H6A H 0.2278 0.0771 0.2470 0.065 Uiso 1 1 calc R . . H6B H 0.1758 0.0321 0.1658 0.065 Uiso 1 1 calc R . . C7 C 0.3654(15) 0.0486(10) 0.0579(10) 0.107(5) Uani 1 1 d U . . H7A H 0.4268 0.0358 0.0308 0.160 Uiso 1 1 calc R . . H7B H 0.2888 0.0354 0.0253 0.160 Uiso 1 1 calc R . . H7C H 0.3662 0.0208 0.0968 0.160 Uiso 1 1 calc R . . C8 C 0.3872(12) 0.1297(7) 0.0891(8) 0.071(4) Uani 1 1 d U . . H8A H 0.4649 0.1428 0.1217 0.086 Uiso 1 1 calc R . . H8B H 0.3889 0.1576 0.0497 0.086 Uiso 1 1 calc R . . C9 C 0.5946(12) 0.2435(9) 0.3144(8) 0.082(4) Uani 1 1 d U . . H9A H 0.6139 0.2233 0.3580 0.123 Uiso 1 1 calc R . . H9B H 0.6185 0.2978 0.3262 0.123 Uiso 1 1 calc R . . H9C H 0.6360 0.2212 0.2775 0.123 Uiso 1 1 calc R . . C10 C 0.4654(11) 0.2255(9) 0.2863(7) 0.072(4) Uani 1 1 d U . . H10A H 0.4409 0.1707 0.2742 0.086 Uiso 1 1 calc R . . H10B H 0.4231 0.2471 0.3237 0.086 Uiso 1 1 calc R . . C11 C 0.3956(11) 0.3791(7) 0.0474(7) 0.063(3) Uani 1 1 d U . . H11A H 0.4232 0.4328 0.0550 0.094 Uiso 1 1 calc R . . H11B H 0.3217 0.3659 0.0121 0.094 Uiso 1 1 calc R . . H11C H 0.4545 0.3513 0.0290 0.094 Uiso 1 1 calc R . . C12 C 0.3760(10) 0.3591(6) 0.1193(6) 0.051(3) Uani 1 1 d U . . H12A H 0.4501 0.3726 0.1554 0.061 Uiso 1 1 calc R . . H12B H 0.3166 0.3869 0.1384 0.061 Uiso 1 1 calc R . . C13 C -0.1365(16) 0.1453(11) 0.3892(10) 0.113(6) Uani 1 1 d U . . H13A H -0.1311 0.0967 0.4023 0.169 Uiso 1 1 calc R . . H13B H -0.1973 0.1391 0.3459 0.169 Uiso 1 1 calc R . . H13C H -0.1567 0.1795 0.4292 0.169 Uiso 1 1 calc R . . C14 C -0.0208(12) 0.1768(8) 0.3743(8) 0.070(4) Uani 1 1 d U . . H14A H 0.0414 0.1838 0.4178 0.084 Uiso 1 1 calc R . . H14B H 0.0011 0.1425 0.3343 0.084 Uiso 1 1 calc R . . C15 C 0.302(2) 0.4261(13) 0.4598(13) 0.151(8) Uani 1 1 d U . . H15A H 0.3853 0.4460 0.4649 0.227 Uiso 1 1 calc R . . H15B H 0.2815 0.4305 0.5077 0.227 Uiso 1 1 calc R . . H15C H 0.2543 0.4544 0.4312 0.227 Uiso 1 1 calc R . . C16 C 0.2810(15) 0.3494(10) 0.4240(9) 0.098(5) Uani 1 1 d U . . H16A H 0.3309 0.3220 0.4532 0.118 Uiso 1 1 calc R . . H16B H 0.3065 0.3459 0.3769 0.118 Uiso 1 1 calc R . . C17 C -0.0754(19) 0.4737(11) 0.3906(10) 0.121(6) Uani 1 1 d U . . H17A H -0.1130 0.4911 0.4313 0.181 Uiso 1 1 calc R . . H17B H -0.1313 0.4678 0.3451 0.181 Uiso 1 1 calc R . . H17C H -0.0069 0.5102 0.3913 0.181 Uiso 1 1 calc R . . C18 C -0.0394(15) 0.4040(9) 0.3966(7) 0.083(4) Uani 1 1 d U . . H18A H -0.1083 0.3675 0.3975 0.099 Uiso 1 1 calc R . . H18B H 0.0169 0.4100 0.4426 0.099 Uiso 1 1 calc R . . C19 C 0.049(3) 0.3611(18) -0.0444(11) 0.216(14) Uani 1 1 d DU . . H19A H 0.0104 0.3932 -0.0729 0.324 Uiso 1 1 calc R . . H19B H 0.0176 0.3086 -0.0661 0.324 Uiso 1 1 calc R . . H19C H 0.1338 0.3697 -0.0437 0.324 Uiso 1 1 calc R . . C20 C 0.0269(17) 0.3797(12) 0.0351(9) 0.108(6) Uani 1 1 d DU . . H20A H 0.0571 0.4331 0.0564 0.130 Uiso 1 1 calc R . . H20B H -0.0586 0.3715 0.0341 0.130 Uiso 1 1 calc R . . C21 C -0.3026(11) 0.2976(8) 0.1346(7) 0.068(3) Uani 1 1 d U . . H21A H -0.3587 0.2994 0.1673 0.101 Uiso 1 1 calc R . . H21B H -0.3176 0.2484 0.1020 0.101 Uiso 1 1 calc R . . H21C H -0.3114 0.3362 0.1061 0.101 Uiso 1 1 calc R . . C22 C -0.1788(10) 0.3109(7) 0.1783(6) 0.054(3) Uani 1 1 d U . . H22A H -0.1640 0.3598 0.2125 0.065 Uiso 1 1 calc R . . H22B H -0.1691 0.2715 0.2067 0.065 Uiso 1 1 calc R . . C23 C 0.1266(15) 0.5527(9) 0.2445(9) 0.094(5) Uani 1 1 d U . . H23A H 0.1978 0.5857 0.2723 0.141 Uiso 1 1 calc R . . H23B H 0.0623 0.5581 0.2710 0.141 Uiso 1 1 calc R . . H23C H 0.1056 0.5663 0.1975 0.141 Uiso 1 1 calc R . . C24 C 0.1488(11) 0.4713(7) 0.2330(7) 0.059(3) Uani 1 1 d U . . H24A H 0.2140 0.4659 0.2064 0.071 Uiso 1 1 calc R . . H24B H 0.1719 0.4580 0.2805 0.071 Uiso 1 1 calc R . . C25 C 0.7279(19) 0.3470(16) 0.5224(15) 0.164(10) Uani 1 1 d DU . . H25A H 0.7680 0.3986 0.5313 0.262 Uiso 0.50 1 d PR A . H25B H 0.7682 0.3206 0.5565 0.262 Uiso 0.50 1 d PR . . H25C H 0.7290 0.3219 0.4728 0.262 Uiso 0.50 1 d PR . . C27 C 0.2856(19) 0.1177(12) 0.4176(11) 0.129(7) Uani 1 1 d U A . H27A H 0.2700 0.1435 0.3775 0.194 Uiso 1 1 calc R . . H27B H 0.2198 0.0781 0.4139 0.194 Uiso 1 1 calc R . . H27C H 0.3576 0.0959 0.4155 0.194 Uiso 1 1 calc R . . C28 C 0.2991(14) 0.1678(12) 0.4821(11) 0.125(7) Uani 1 1 d DU . . H28A H 0.3081 0.2197 0.4759 0.150 Uiso 0.50 1 d PR A . H28B H 0.2343 0.1587 0.5077 0.150 Uiso 0.50 1 d PR . . C29 C 0.736(3) 0.0730(19) 0.5493(19) 0.256(17) Uani 1 1 d DU . . H29A H 0.7656 0.0455 0.5092 0.385 Uiso 1 1 calc R A . H29B H 0.6988 0.0377 0.5745 0.385 Uiso 1 1 calc R . . H29C H 0.8008 0.1067 0.5831 0.385 Uiso 1 1 calc R . . C30 C 0.643(2) 0.1201(14) 0.5190(12) 0.138(8) Uani 1 1 d DU A . H30A H 0.6767 0.1538 0.4905 0.166 Uiso 1 1 calc R . . H30B H 0.5728 0.0869 0.4880 0.166 Uiso 1 1 calc R . . C31 C 0.9342(10) 0.2519(8) 0.7749(8) 0.072(4) Uani 1 1 d DU A . H31A H 0.9462 0.2208 0.8110 0.108 Uiso 1 1 calc R . . H31B H 0.9531 0.3047 0.7990 0.108 Uiso 1 1 calc R . . H31C H 0.9853 0.2412 0.7399 0.108 Uiso 1 1 calc R . . C32 C 0.8019(10) 0.2342(9) 0.7344(8) 0.086(4) Uani 1 1 d DU . . H32A H 0.7867 0.2716 0.7052 0.104 Uiso 0.50 1 d PR A . H32B H 0.7876 0.1851 0.7016 0.104 Uiso 0.50 1 d PR . . C33 C 0.052(3) 0.067(2) 0.5668(13) 0.28(2) Uani 1 1 d DU . . H33A H -0.0178 0.0331 0.5688 0.422 Uiso 1 1 calc R A . H33B H 0.0964 0.0422 0.5335 0.422 Uiso 1 1 calc R . . H33C H 0.0274 0.1113 0.5499 0.422 Uiso 1 1 calc R . . C34 C 0.1309(16) 0.0930(12) 0.6446(11) 0.115(6) Uani 1 1 d DU A . H34A H 0.0857 0.1175 0.6790 0.138 Uiso 1 1 calc R . . H34B H 0.1567 0.0491 0.6619 0.138 Uiso 1 1 calc R . . C35 C 0.2234(15) 0.1877(10) 0.8831(9) 0.100(5) Uani 1 1 d U A . H35A H 0.2317 0.2172 0.9322 0.150 Uiso 1 1 calc R . . H35B H 0.2664 0.1455 0.8844 0.150 Uiso 1 1 calc R . . H35C H 0.1402 0.1690 0.8630 0.150 Uiso 1 1 calc R . . C36 C 0.2737(11) 0.2376(8) 0.8349(7) 0.063(3) Uani 1 1 d U . . H36B H 0.3568 0.2570 0.8550 0.076 Uiso 0.50 1 d PR A . H36A H 0.2312 0.2800 0.8328 0.076 Uiso 0.50 1 d PR . . C37 C 0.4828(18) -0.0112(11) 0.6972(11) 0.119(6) Uani 1 1 d U A . H37A H 0.4090 -0.0427 0.6714 0.178 Uiso 1 1 calc R . . H37B H 0.4975 -0.0170 0.7476 0.178 Uiso 1 1 calc R . . H37C H 0.5473 -0.0265 0.6741 0.178 Uiso 1 1 calc R . . C38 C 0.4749(15) 0.0675(9) 0.6951(9) 0.091(5) Uani 1 1 d U . . H38A H 0.4597 0.0710 0.6442 0.110 Uiso 0.50 1 d PR A . H38B H 0.4074 0.0814 0.7157 0.110 Uiso 0.50 1 d PR . . C39 C 0.5494(15) 0.1603(11) 0.9448(9) 0.114(6) Uani 1 1 d DU . . H39A H 0.5918 0.1394 0.9830 0.171 Uiso 1 1 calc R A . H39B H 0.4845 0.1227 0.9157 0.171 Uiso 1 1 calc R . . H39C H 0.5182 0.2042 0.9667 0.171 Uiso 1 1 calc R . . C40 C 0.6356(14) 0.1841(10) 0.8950(8) 0.092(5) Uani 1 1 d DU A . H40A H 0.7018 0.2223 0.9234 0.111 Uiso 1 1 calc R . . H40B H 0.6672 0.1404 0.8717 0.111 Uiso 1 1 calc R . . C41 C 0.0090(12) 0.3013(13) 0.5850(12) 0.130(7) Uani 1 1 d DU . . H41A H -0.0198 0.2980 0.5333 0.196 Uiso 1 1 calc R A . H41B H -0.0097 0.3469 0.6128 0.196 Uiso 1 1 calc R . . H41C H -0.0285 0.2577 0.5999 0.196 Uiso 1 1 calc R . . C42 C 0.1456(11) 0.3032(12) 0.5992(9) 0.134(7) Uani 1 1 d DU A . H42A H 0.1640 0.2555 0.5738 0.161 Uiso 1 1 calc R . . H42B H 0.1827 0.3440 0.5792 0.161 Uiso 1 1 calc R . . C43 C 0.6888(12) 0.4053(9) 0.9621(7) 0.076(4) Uani 1 1 d U A . H43A H 0.7409 0.4515 0.9877 0.114 Uiso 1 1 calc R . . H43B H 0.7253 0.3622 0.9719 0.114 Uiso 1 1 calc R . . H43C H 0.6139 0.4036 0.9787 0.114 Uiso 1 1 calc R . . C44 C 0.6687(8) 0.4034(8) 0.8855(8) 0.089(5) Uani 1 1 d DU . . H44A H 0.7095 0.4490 0.8756 0.107 Uiso 0.50 1 d PR A . H44B H 0.6963 0.3601 0.8591 0.107 Uiso 0.50 1 d PR . . C45 C 0.433(2) 0.5550(9) 0.6785(14) 0.170(10) Uani 1 1 d DU A . H45A H 0.5026 0.5929 0.6979 0.256 Uiso 1 1 calc R . . H45B H 0.3698 0.5672 0.7044 0.256 Uiso 1 1 calc R . . H45C H 0.4071 0.5539 0.6270 0.256 Uiso 1 1 calc R . . C46 C 0.4632(14) 0.4757(10) 0.6886(8) 0.134(10) Uani 1 1 d DU . . H46A H 0.3872 0.4412 0.6799 0.209 Uiso 0.50 1 d PR A . H46B H 0.5083 0.4573 0.6515 0.209 Uiso 0.50 1 d PR . . C47 C 0.1962(15) 0.4658(11) 0.8266(10) 0.108(6) Uani 1 1 d U . . H47A H 0.1768 0.5058 0.8617 0.162 Uiso 1 1 calc R A . H47B H 0.1515 0.4179 0.8287 0.162 Uiso 1 1 calc R . . H47C H 0.1762 0.4756 0.7779 0.162 Uiso 1 1 calc R . . C48 C 0.3205(15) 0.4626(10) 0.8435(9) 0.095(5) Uani 1 1 d U A . H48A H 0.3436 0.4526 0.8925 0.114 Uiso 1 1 calc R . . H48B H 0.3682 0.5095 0.8400 0.114 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0317(4) 0.0298(4) 0.0349(4) 0.0078(3) 0.0107(3) 0.0044(3) Ru2 0.0303(5) 0.0400(5) 0.0434(5) 0.0030(4) 0.0066(4) 0.0136(4) P1 0.0412(15) 0.0374(15) 0.0491(16) 0.0071(12) 0.0159(13) 0.0014(12) P2 0.0332(13) 0.0357(14) 0.0433(15) 0.0071(12) 0.0103(11) 0.0035(11) P3 0.0529(17) 0.0481(17) 0.0426(15) 0.0120(13) 0.0156(13) 0.0123(14) P4 0.0366(14) 0.0465(16) 0.0458(15) 0.0145(13) 0.0127(12) 0.0066(12) P5 0.040(2) 0.052(2) 0.049(2) 0.0112(19) 0.0127(18) 0.0161(18) P6 0.0312(19) 0.041(2) 0.049(2) 0.0053(18) 0.0089(17) 0.0066(16) P7 0.0314(19) 0.042(2) 0.052(2) 0.0107(18) 0.0110(17) 0.0151(16) P8 0.0272(18) 0.033(2) 0.045(2) 0.0067(16) 0.0064(15) 0.0056(15) O14 0.076(7) 0.090(8) 0.064(6) -0.001(6) 0.007(6) 0.011(6) O18 0.068(7) 0.076(7) 0.071(7) 0.004(6) 0.027(6) -0.003(5) O19 0.062(6) 0.047(6) 0.069(6) 0.010(5) 0.000(5) 0.009(5) O13 0.107(8) 0.095(8) 0.094(8) 0.014(6) 0.043(7) 0.029(7) O22 0.036(5) 0.037(5) 0.048(5) 0.003(4) 0.018(4) 0.002(4) O23 0.045(5) 0.042(5) 0.056(5) 0.016(4) 0.012(4) 0.009(4) O21 0.048(6) 0.068(6) 0.052(6) 0.017(5) 0.001(5) 0.015(5) C26 0.114(11) 0.105(11) 0.108(11) 0.023(9) 0.044(9) 0.002(8) P5' 0.038(4) 0.040(5) 0.041(4) 0.010(4) 0.012(4) 0.007(4) P6' 0.034(4) 0.040(5) 0.037(4) 0.010(4) 0.003(3) 0.010(4) P7' 0.036(4) 0.037(5) 0.036(4) 0.007(4) 0.007(4) 0.007(4) P8' 0.034(4) 0.029(4) 0.033(4) 0.004(3) -0.002(3) 0.009(3) O19' 0.055(10) 0.043(10) 0.070(10) 0.016(8) 0.001(8) 0.011(8) O13' 0.18(2) 0.18(2) 0.18(2) 0.029(11) 0.047(11) 0.020(11) O18' 0.075(12) 0.102(13) 0.084(12) 0.021(9) 0.026(9) 0.008(9) O14' 0.097(13) 0.088(13) 0.080(12) 0.018(9) 0.014(9) 0.003(9) O22' 0.19(3) 0.20(3) 0.19(3) 0.036(11) 0.038(11) 0.021(11) O23' 0.071(12) 0.076(12) 0.078(12) 0.021(9) 0.001(9) 0.006(9) O21' 0.22(3) 0.21(3) 0.21(3) 0.042(12) 0.036(11) 0.037(11) C26' 0.12(2) 0.13(2) 0.13(2) 0.018(11) 0.037(11) 0.023(11) O1 0.036(4) 0.049(4) 0.083(5) 0.008(4) 0.014(4) 0.001(3) O2 0.066(5) 0.054(4) 0.049(4) 0.007(4) 0.010(4) 0.000(4) O3 0.052(4) 0.043(4) 0.066(4) 0.012(3) 0.021(4) 0.005(3) O4 0.040(4) 0.039(4) 0.056(4) 0.002(3) 0.021(3) 0.004(3) O5 0.036(4) 0.053(4) 0.050(4) 0.013(3) 0.006(3) 0.006(3) O6 0.039(4) 0.045(4) 0.041(4) 0.004(3) 0.009(3) -0.002(3) O7 0.085(5) 0.069(5) 0.066(5) 0.026(4) 0.040(4) 0.014(4) O8 0.073(5) 0.087(6) 0.052(4) 0.005(4) 0.005(4) 0.016(5) O9 0.079(5) 0.052(4) 0.045(4) 0.006(3) 0.023(4) 0.026(4) O10 0.051(4) 0.070(5) 0.055(4) 0.030(4) 0.019(3) 0.024(4) O11 0.037(4) 0.055(4) 0.051(4) 0.009(3) 0.017(3) 0.013(3) O12 0.057(4) 0.043(4) 0.063(4) 0.015(4) 0.013(4) 0.009(3) O15 0.062(5) 0.075(5) 0.058(4) -0.003(4) 0.015(4) 0.036(4) O16 0.106(9) 0.105(11) 0.113(10) -0.024(8) 0.069(8) 0.050(8) O17 0.078(6) 0.068(6) 0.110(7) -0.002(5) 0.007(5) -0.016(5) O20 0.081(6) 0.115(7) 0.065(5) 0.045(5) 0.025(4) 0.034(5) O24 0.061(5) 0.051(4) 0.058(4) 0.001(4) 0.012(4) 0.025(4) C1 0.089(9) 0.112(9) 0.126(10) 0.015(8) 0.018(8) 0.007(7) C2 0.069(7) 0.074(8) 0.112(8) -0.001(7) 0.028(7) 0.001(6) C3 0.071(13) 0.076(13) 0.079(13) 0.021(9) 0.013(9) 0.003(8) C3' 0.096(15) 0.088(15) 0.085(14) 0.016(9) 0.008(9) 0.005(9) C4 0.085(8) 0.079(7) 0.052(6) 0.016(6) 0.005(6) -0.014(6) C5 0.076(7) 0.058(7) 0.076(7) 0.026(6) 0.014(6) 0.012(6) C6 0.053(6) 0.044(6) 0.064(6) 0.011(5) 0.011(5) 0.008(5) C7 0.096(8) 0.100(9) 0.122(9) -0.012(7) 0.053(7) 0.015(7) C8 0.067(7) 0.058(7) 0.093(7) -0.003(6) 0.042(6) 0.014(5) C9 0.077(7) 0.089(8) 0.075(7) 0.026(6) -0.006(6) 0.009(6) C10 0.061(7) 0.088(8) 0.069(7) 0.028(6) 0.002(6) 0.018(6) C11 0.063(6) 0.060(6) 0.067(7) 0.022(5) 0.015(5) 0.003(5) C12 0.046(5) 0.051(6) 0.059(6) 0.013(5) 0.021(5) 0.006(5) C13 0.111(9) 0.115(9) 0.123(9) 0.046(8) 0.036(8) 0.009(7) C14 0.078(7) 0.066(7) 0.071(7) 0.019(6) 0.028(6) 0.007(6) C15 0.146(11) 0.140(12) 0.164(12) 0.018(9) 0.037(9) 0.018(9) C16 0.091(8) 0.102(9) 0.089(8) 0.000(7) 0.013(7) 0.006(7) C17 0.142(10) 0.125(10) 0.106(9) 0.015(8) 0.041(8) 0.053(8) C18 0.112(8) 0.087(8) 0.062(7) 0.014(6) 0.030(6) 0.050(7) C19 0.219(16) 0.226(16) 0.208(16) 0.050(10) 0.031(10) 0.056(10) C20 0.108(9) 0.132(10) 0.101(9) 0.044(8) 0.029(7) 0.038(8) C21 0.053(6) 0.083(7) 0.074(7) 0.028(6) 0.020(5) 0.010(6) C22 0.046(6) 0.061(6) 0.061(6) 0.022(5) 0.015(5) 0.011(5) C23 0.091(8) 0.078(8) 0.107(9) 0.012(7) 0.013(7) 0.009(7) C24 0.061(6) 0.046(6) 0.067(6) 0.012(5) 0.004(5) 0.009(5) C25 0.159(13) 0.164(13) 0.165(13) 0.023(9) 0.027(9) 0.035(9) C27 0.130(10) 0.137(11) 0.116(10) 0.010(8) 0.015(8) 0.039(8) C28 0.118(10) 0.127(10) 0.122(10) 0.009(8) 0.023(8) 0.013(8) C29 0.261(19) 0.257(19) 0.255(19) 0.049(10) 0.060(10) 0.046(10) C30 0.130(11) 0.156(11) 0.139(11) 0.030(8) 0.050(8) 0.029(8) C31 0.056(6) 0.074(7) 0.085(7) 0.015(6) 0.007(6) 0.013(6) C32 0.095(8) 0.083(8) 0.102(8) 0.043(7) 0.038(7) 0.035(6) C33 0.28(2) 0.28(2) 0.28(2) 0.062(11) 0.049(11) 0.039(10) C34 0.095(9) 0.118(10) 0.134(10) 0.013(8) 0.041(8) 0.018(8) C35 0.093(8) 0.109(9) 0.106(9) 0.040(7) 0.025(7) 0.013(7) C36 0.055(6) 0.075(7) 0.060(6) 0.011(6) 0.018(5) 0.006(5) C37 0.119(10) 0.102(9) 0.130(10) 0.030(8) 0.006(8) 0.012(8) C38 0.090(8) 0.075(8) 0.109(9) 0.033(7) -0.005(7) 0.022(7) C39 0.108(9) 0.115(10) 0.119(9) 0.029(8) 0.021(8) 0.014(8) C40 0.105(9) 0.090(8) 0.082(8) 0.023(7) 0.012(7) 0.016(7) C41 0.127(10) 0.134(11) 0.134(10) 0.035(8) 0.025(8) 0.026(8) C42 0.122(10) 0.125(10) 0.163(11) 0.034(8) 0.039(9) 0.023(8) C43 0.067(7) 0.086(8) 0.068(7) 0.010(6) 0.001(6) 0.010(6) C44 0.095(8) 0.084(8) 0.085(8) 0.018(7) 0.017(7) 0.002(7) C45 0.168(13) 0.177(13) 0.165(13) 0.034(9) 0.017(9) 0.044(9) C46 0.147(13) 0.126(13) 0.134(12) 0.034(9) 0.044(9) 0.036(9) C47 0.091(9) 0.111(9) 0.124(9) 0.032(8) 0.019(7) 0.015(7) C48 0.096(8) 0.087(8) 0.102(8) 0.008(7) 0.027(7) 0.016(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 P3 2.255(3) . ? Ru1 P2 2.259(3) . ? Ru1 P1 2.272(3) . ? Ru1 P4 2.278(3) . ? Ru1 H1 1.5833 . ? Ru1 H2 1.4826 . ? Ru2 P5' 2.174(9) . ? Ru2 P6 2.213(4) . ? Ru2 P8' 2.228(8) . ? Ru2 P7 2.254(4) . ? Ru2 P5 2.268(4) . ? Ru2 P8 2.287(4) . ? Ru2 P7' 2.355(8) . ? Ru2 P6' 2.425(9) . ? Ru2 H3 1.6168 . ? Ru2 H4 1.5115 . ? P1 O1 1.607(7) . ? P1 O2 1.616(8) . ? P1 O3 1.618(8) . ? P2 O4 1.601(7) . ? P2 O5 1.614(7) . ? P2 O6 1.614(7) . ? P3 O9 1.601(8) . ? P3 O7 1.613(8) . ? P3 O8 1.618(9) . ? P4 O10 1.601(7) . ? P4 O11 1.608(7) . ? P4 O12 1.630(8) . ? P5 O13 1.565(15) . ? P5 O15 1.597(8) . ? P5 O14 1.612(14) . ? P5 H26D 1.5810 . ? P6 O17 1.555(10) . ? P6 O18 1.620(13) . ? P6 O16 2.128(19) . ? P7 O20 1.566(9) . ? P7 O19 1.596(12) . ? P7 O21 1.606(5) . ? P8 O23 1.617(10) . ? P8 O22 1.618(10) . ? P8 O24 1.673(8) . ? P8 H4 1.4837 . ? O14 C28 1.539(5) . ? O18 C36 1.361(16) . ? O18 H36C 0.6231 . ? O19 C38 1.501(19) . ? O19 H38C 1.2565 . ? O19 H38D 1.0904 . ? O13 C26 1.544(5) . ? O13 H26D 1.1735 . ? O22 C44 1.538(5) . ? O22 H44C 1.4197 . ? O23 C46 1.555(5) . ? O23 H46D 0.7571 . ? O21 C32 1.360(16) . ? C26 C25 1.543(5) . ? C26 H26A 0.9582 . ? C26 H26B 0.9613 . ? C26 H26C 1.5740 . ? C26 H26D 1.4786 . ? C26 H25D 1.2750 . ? P5' O15 1.556(12) . ? P5' O13' 1.593(5) . ? P5' O21' 1.597(5) . ? P5' C26' 2.25(4) . ? P5' C32 2.301(14) . ? P5' H32A 1.9165 . ? P6' O17 1.226(13) . ? P6' O19' 1.58(3) . ? P6' O14' 1.69(3) . ? P7' O20 1.305(12) . ? P7' O18' 1.52(3) . ? P7' O22' 1.608(5) . ? P7' H36B 1.8483 . ? P8' O23' 1.459(15) . ? P8' O24 1.595(10) . ? P8' O16 1.606(13) . ? P8' H3 1.5873 . ? P8' H46A 1.7954 . ? O19' C38 1.38(3) . ? O19' H38A 1.2215 . ? O19' H38B 1.0312 . ? O13' C26' 1.551(5) . ? O13' H32A 1.1359 . ? O18' C36 1.29(3) . ? O18' H36B 0.3990 . ? O14' C28 1.61(4) . ? O14' H28B 1.4636 . ? O22' C44 1.558(5) . ? O22' H44B 1.3798 . ? O23' C46 1.563(5) . ? O23' H46A 0.6458 . ? O21' C32 1.542(5) . ? O21' H32B 1.4559 . ? C26' C25 1.63(5) . ? C26' H26A 1.3847 . ? C26' H26C 0.9619 . ? C26' H26D 0.9944 . ? C26' H25B 1.3206 . ? O1 C2 1.429(15) . ? O2 C4 1.436(14) . ? O3 C6 1.402(13) . ? O4 C8 1.430(13) . ? O5 C10 1.454(14) . ? O6 C12 1.414(12) . ? O7 C14 1.422(15) . ? O8 C16 1.398(18) . ? O9 C18 1.460(14) . ? O10 C20 1.438(17) . ? O11 C22 1.443(12) . ? O12 C24 1.423(14) . ? O15 C30 1.52(2) . ? O16 C42 1.424(17) . ? O17 C34 1.44(2) . ? O20 C40 1.437(17) . ? O24 C48 1.516(17) . ? C1 C2 1.36(2) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 C4 1.544(5) . ? C3 H4D 1.3602 . ? C3 H3A 0.9601 . ? C3 H3B 0.9601 . ? C3 H3C 0.9770 . ? C3 H3'A 1.5610 . ? C3 H3'C 1.0697 . ? C3' C4 1.38(3) . ? C3' H3A 1.5301 . ? C3' H3C 0.8862 . ? C3' H3'A 0.9602 . ? C3' H3'B 0.9593 . ? C3' H3'C 0.9598 . ? C4 H4C 0.9624 . ? C4 H4D 0.9899 . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 C6 1.523(16) . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 C8 1.450(19) . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 C10 1.463(18) . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C11 C12 1.506(15) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C14 1.47(2) . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.40(2) . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 C18 1.39(2) . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 C20 1.540(5) . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C21 C22 1.486(16) . ? C21 H21A 0.9600 . ? C21 H21B 0.9600 . ? C21 H21C 0.9600 . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 C24 1.505(19) . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 H25D 0.9966 . ? C25 H25E 1.1323 . ? C25 H25F 0.8067 . ? C25 H25A 0.9592 . ? C25 H25B 0.9604 . ? C25 H25C 0.9603 . ? C27 C28 1.35(2) . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C28 H28C 1.0984 . ? C28 H28D 1.0470 . ? C28 H28A 0.9602 . ? C28 H28B 0.9627 . ? C29 C30 1.545(5) . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C32 1.548(5) . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? C32 H32C 1.1233 . ? C32 H32D 0.8738 . ? C32 H32A 0.9595 . ? C32 H32B 0.9607 . ? C33 C34 1.545(5) . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C35 C36 1.519(19) . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36C 0.8215 . ? C36 H36D 1.1087 . ? C36 H36B 0.9625 . ? C36 H36A 0.9602 . ? C37 C38 1.44(2) . ? C37 H37A 0.9600 . ? C37 H37B 0.9600 . ? C37 H37C 0.9600 . ? C38 H38C 1.2483 . ? C38 H38D 0.8480 . ? C38 H38A 0.9596 . ? C38 H38B 0.9593 . ? C39 C40 1.545(5) . ? C39 H39A 0.9600 . ? C39 H39B 0.9600 . ? C39 H39C 0.9600 . ? C40 H40A 0.9700 . ? C40 H40B 0.9700 . ? C41 C42 1.540(5) . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9700 . ? C42 H42B 0.9700 . ? C43 C44 1.411(18) . ? C43 H43A 0.9600 . ? C43 H43B 0.9600 . ? C43 H43C 0.9600 . ? C44 H44C 1.0788 . ? C44 H44D 0.9578 . ? C44 H44A 0.9610 . ? C44 H44B 0.9618 . ? C45 C46 1.551(5) . ? C45 H45A 0.9600 . ? C45 H45B 0.9600 . ? C45 H45C 0.9600 . ? C46 H46D 1.0519 . ? C46 H46C 0.9301 . ? C46 H46A 0.9790 . ? C46 H46B 0.9697 . ? C47 C48 1.42(2) . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? C48 H48A 0.9700 . ? C48 H48B 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 P3 Ru1 P2 152.03(11) . . ? P3 Ru1 P1 101.32(10) . . ? P2 Ru1 P1 96.59(10) . . ? P3 Ru1 P4 96.19(10) . . ? P2 Ru1 P4 102.58(10) . . ? P1 Ru1 P4 97.56(10) . . ? P3 Ru1 H1 83.0 . . ? P2 Ru1 H1 77.2 . . ? P1 Ru1 H1 85.5 . . ? P4 Ru1 H1 177.0 . . ? P3 Ru1 H2 78.8 . . ? P2 Ru1 H2 82.4 . . ? P1 Ru1 H2 177.5 . . ? P4 Ru1 H2 84.9 . . ? H1 Ru1 H2 92.1 . . ? P5' Ru2 P6 132.4(3) . . ? P5' Ru2 P8' 160.3(3) . . ? P6 Ru2 P8' 62.0(2) . . ? P5' Ru2 P7 59.2(2) . . ? P6 Ru2 P7 100.54(14) . . ? P8' Ru2 P7 137.8(2) . . ? P5' Ru2 P5 45.7(3) . . ? P6 Ru2 P5 103.92(15) . . ? P8' Ru2 P5 124.4(2) . . ? P7 Ru2 P5 96.23(14) . . ? P5' Ru2 P8 127.7(3) . . ? P6 Ru2 P8 96.37(14) . . ? P8' Ru2 P8 49.7(2) . . ? P7 Ru2 P8 100.33(14) . . ? P5 Ru2 P8 150.92(15) . . ? P5' Ru2 P7' 101.7(3) . . ? P6 Ru2 P7' 76.3(2) . . ? P8' Ru2 P7' 94.8(3) . . ? P7 Ru2 P7' 43.0(2) . . ? P5 Ru2 P7' 136.4(2) . . ? P8 Ru2 P7' 68.5(2) . . ? P5' Ru2 P6' 92.4(3) . . ? P6 Ru2 P6' 40.9(2) . . ? P8' Ru2 P6' 98.0(3) . . ? P7 Ru2 P6' 86.7(2) . . ? P5 Ru2 P6' 67.3(2) . . ? P8 Ru2 P6' 137.0(2) . . ? P7' Ru2 P6' 91.1(3) . . ? P5' Ru2 H3 116.7 . . ? P6 Ru2 H3 85.1 . . ? P8' Ru2 H3 45.4 . . ? P7 Ru2 H3 174.3 . . ? P5 Ru2 H3 82.2 . . ? P8 Ru2 H3 79.0 . . ? P7' Ru2 H3 140.0 . . ? P6' Ru2 H3 97.6 . . ? P5' Ru2 H4 91.9 . . ? P6 Ru2 H4 135.2 . . ? P8' Ru2 H4 77.2 . . ? P7 Ru2 H4 97.3 . . ? P5 Ru2 H4 114.6 . . ? P8 Ru2 H4 39.8 . . ? P7' Ru2 H4 90.1 . . ? P6' Ru2 H4 175.2 . . ? H3 Ru2 H4 78.5 . . ? O1 P1 O2 101.4(4) . . ? O1 P1 O3 95.8(4) . . ? O2 P1 O3 96.1(4) . . ? O1 P1 Ru1 117.2(3) . . ? O2 P1 Ru1 122.4(3) . . ? O3 P1 Ru1 118.8(3) . . ? O4 P2 O5 101.7(4) . . ? O4 P2 O6 97.9(4) . . ? O5 P2 O6 96.0(4) . . ? O4 P2 Ru1 115.3(3) . . ? O5 P2 Ru1 117.4(3) . . ? O6 P2 Ru1 124.3(3) . . ? O9 P3 O7 96.6(5) . . ? O9 P3 O8 103.0(5) . . ? O7 P3 O8 95.3(5) . . ? O9 P3 Ru1 115.3(3) . . ? O7 P3 Ru1 123.9(4) . . ? O8 P3 Ru1 118.5(4) . . ? O10 P4 O11 96.4(4) . . ? O10 P4 O12 102.6(4) . . ? O11 P4 O12 95.1(4) . . ? O10 P4 Ru1 116.1(3) . . ? O11 P4 Ru1 121.5(3) . . ? O12 P4 Ru1 120.4(3) . . ? O13 P5 O15 105.6(7) . . ? O13 P5 O14 93.3(8) . . ? O15 P5 O14 91.5(6) . . ? O13 P5 Ru2 123.4(6) . . ? O15 P5 Ru2 114.3(4) . . ? O14 P5 Ru2 122.8(5) . . ? O13 P5 H26D 43.8 . . ? O15 P5 H26D 85.3 . . ? O14 P5 H26D 133.0 . . ? Ru2 P5 H26D 100.8 . . ? O17 P6 O18 93.5(6) . . ? O17 P6 O16 114.3(5) . . ? O18 P6 O16 110.0(6) . . ? O17 P6 Ru2 120.9(5) . . ? O18 P6 Ru2 119.3(5) . . ? O16 P6 Ru2 99.5(3) . . ? O20 P7 O19 99.8(6) . . ? O20 P7 O21 94.8(6) . . ? O19 P7 O21 94.5(6) . . ? O20 P7 Ru2 118.7(4) . . ? O19 P7 Ru2 120.9(5) . . ? O21 P7 Ru2 122.4(4) . . ? O23 P8 O22 96.2(5) . . ? O23 P8 O24 105.3(5) . . ? O22 P8 O24 98.6(4) . . ? O23 P8 Ru2 120.2(4) . . ? O22 P8 Ru2 123.6(4) . . ? O24 P8 Ru2 109.7(3) . . ? O23 P8 H4 83.5 . . ? O22 P8 H4 117.2 . . ? O24 P8 H4 142.2 . . ? Ru2 P8 H4 40.7 . . ? C28 O14 P5 119.7(12) . . ? C36 O18 P6 127.9(11) . . ? C36 O18 H36C 22.6 . . ? P6 O18 H36C 111.8 . . ? C38 O19 P7 124.5(10) . . ? C38 O19 H38C 52.9 . . ? P7 O19 H38C 105.5 . . ? C38 O19 H38D 33.7 . . ? P7 O19 H38D 140.3 . . ? H38C O19 H38D 82.2 . . ? C26 O13 P5 123.6(14) . . ? C26 O13 H26D 64.2 . . ? P5 O13 H26D 68.8 . . ? C44 O22 P8 119.8(8) . . ? C44 O22 H44C 42.6 . . ? P8 O22 H44C 110.0 . . ? C46 O23 P8 103.8(9) . . ? C46 O23 H46D 36.8 . . ? P8 O23 H46D 116.0 . . ? C32 O21 P7 124.5(8) . . ? C25 C26 O13 111.3(18) . . ? C25 C26 H26A 108.7 . . ? O13 C26 H26A 109.4 . . ? C25 C26 H26B 109.3 . . ? O13 C26 H26B 109.7 . . ? H26A C26 H26B 108.4 . . ? C25 C26 H26C 89.2 . . ? O13 C26 H26C 100.1 . . ? H26A C26 H26C 27.8 . . ? H26B C26 H26C 135.1 . . ? C25 C26 H26D 87.8 . . ? O13 C26 H26D 45.6 . . ? H26A C26 H26D 81.8 . . ? H26B C26 H26D 155.0 . . ? H26C C26 H26D 60.5 . . ? C25 C26 H25D 40.0 . . ? O13 C26 H25D 129.2 . . ? H26A C26 H25D 119.1 . . ? H26B C26 H25D 69.5 . . ? H26C C26 H25D 115.5 . . ? H26D C26 H25D 126.5 . . ? O15 P5' O13' 102.3(6) . . ? O15 P5' O21' 101.8(6) . . ? O13' P5' O21' 100.7(4) . . ? O15 P5' Ru2 121.4(5) . . ? O13' P5' Ru2 124.7(11) . . ? O21' P5' Ru2 101.4(9) . . ? O15 P5' C26' 93.8(16) . . ? O13' P5' C26' 43.6(11) . . ? O21' P5' C26' 143.8(12) . . ? Ru2 P5' C26' 97.7(13) . . ? O15 P5' C32 109.5(7) . . ? O13' P5' C32 58.8(6) . . ? O21' P5' C32 41.9(4) . . ? Ru2 P5' C32 123.4(6) . . ? C26' P5' C32 102.1(11) . . ? O15 P5' H32A 116.2 . . ? O13' P5' H32A 36.3 . . ? O21' P5' H32A 65.4 . . ? Ru2 P5' H32A 122.4 . . ? C26' P5' H32A 78.4 . . ? C32 P5' H32A 24.2 . . ? O17 P6' O19' 93.2(12) . . ? O17 P6' O14' 94.9(15) . . ? O19' P6' O14' 94.7(16) . . ? O17 P6' Ru2 125.7(7) . . ? O19' P6' Ru2 122.9(11) . . ? O14' P6' Ru2 117.9(13) . . ? O20 P7' O18' 103.0(15) . . ? O20 P7' O22' 84(2) . . ? O18' P7' O22' 102(3) . . ? O20 P7' Ru2 126.7(6) . . ? O18' P7' Ru2 126.2(14) . . ? O22' P7' Ru2 101.9(19) . . ? O20 P7' H36B 110.8 . . ? O18' P7' H36B 7.9 . . ? O22' P7' H36B 103.0 . . ? Ru2 P7' H36B 118.7 . . ? O23' P8' O24 106.2(8) . . ? O23' P8' O16 106.4(9) . . ? O24 P8' O16 101.1(6) . . ? O23' P8' Ru2 107.6(10) . . ? O24 P8' Ru2 115.8(5) . . ? O16 P8' Ru2 118.7(7) . . ? O23' P8' H3 66.8 . . ? O24 P8' H3 148.6 . . ? O16 P8' H3 110.3 . . ? Ru2 P8' H3 46.5 . . ? O23' P8' H46A 19.6 . . ? O24 P8' H46A 89.7 . . ? O16 P8' H46A 121.0 . . ? Ru2 P8' H46A 106.9 . . ? H3 P8' H46A 75.7 . . ? C38 O19' P6' 124.2(19) . . ? C38 O19' H38A 42.8 . . ? P6' O19' H38A 103.2 . . ? C38 O19' H38B 44.1 . . ? P6' O19' H38B 119.9 . . ? H38A O19' H38B 86.5 . . ? C26' O13' P5' 91(2) . . ? C26' O13' H32A 159.6 . . ? P5' O13' H32A 87.6 . . ? C36 O18' P7' 132(3) . . ? C36 O18' H36B 29.9 . . ? P7' O18' H36B 140.7 . . ? C28 O14' P6' 127(2) . . ? C28 O14' H28B 36.1 . . ? P6' O14' H28B 109.2 . . ? C44 O22' P7' 166(4) . . ? C44 O22' H44B 37.6 . . ? P7' O22' H44B 137.1 . . ? P8' O23' C46 119.1(13) . . ? P8' O23' H46A 111.1 . . ? C46 O23' H46A 19.6 . . ? C32 O21' P5' 94.3(8) . . ? C32 O21' H32B 37.2 . . ? P5' O21' H32B 95.1 . . ? O13' C26' C25 126(3) . . ? O13' C26' P5' 45.1(12) . . ? C25 C26' P5' 151(4) . . ? O13' C26' H26A 144.8 . . ? C25 C26' H26A 85.9 . . ? P5' C26' H26A 114.4 . . ? O13' C26' H26C 108.6 . . ? C25 C26' H26C 112.7 . . ? P5' C26' H26C 95.1 . . ? H26A C26' H26C 37.4 . . ? O13' C26' H26D 99.5 . . ? C25 C26' H26D 103.4 . . ? P5' C26' H26D 60.7 . . ? H26A C26' H26D 85.7 . . ? H26C C26' H26D 103.8 . . ? O13' C26' H25B 89.6 . . ? C25 C26' H25B 36.1 . . ? P5' C26' H25B 123.5 . . ? H26A C26' H25B 120.9 . . ? H26C C26' H25B 136.7 . . ? H26D C26' H25B 111.7 . . ? C2 O1 P1 121.7(8) . . ? C4 O2 P1 123.9(8) . . ? C6 O3 P1 122.0(7) . . ? C8 O4 P2 121.8(7) . . ? C10 O5 P2 121.8(7) . . ? C12 O6 P2 121.4(6) . . ? C14 O7 P3 120.8(8) . . ? C16 O8 P3 122.5(10) . . ? C18 O9 P3 121.5(7) . . ? C20 O10 P4 119.1(8) . . ? C22 O11 P4 121.9(7) . . ? C24 O12 P4 121.8(7) . . ? C30 O15 P5' 155.8(12) . . ? C30 O15 P5 121.1(10) . . ? P5' O15 P5 66.5(5) . . ? C42 O16 P8' 116.8(11) . . ? C42 O16 P6 107.9(12) . . ? P8' O16 P6 74.1(7) . . ? P6' O17 C34 148.7(13) . . ? P6' O17 P6 70.8(6) . . ? C34 O17 P6 129.2(11) . . ? P7' O20 C40 162.3(11) . . ? P7' O20 P7 71.6(6) . . ? C40 O20 P7 125.3(9) . . ? C48 O24 P8' 156.0(9) . . ? C48 O24 P8 115.5(8) . . ? P8' O24 P8 70.9(4) . . ? C2 C1 H1A 109.5 . . ? C2 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? C2 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? C1 C2 O1 112.5(14) . . ? C1 C2 H2A 109.1 . . ? O1 C2 H2A 109.1 . . ? C1 C2 H2B 109.1 . . ? O1 C2 H2B 109.1 . . ? H2A C2 H2B 107.8 . . ? C4 C3 H4D 39.2 . . ? C4 C3 H3A 106.8 . . ? H4D C3 H3A 96.3 . . ? C4 C3 H3B 129.7 . . ? H4D C3 H3B 102.8 . . ? H3A C3 H3B 109.5 . . ? C4 C3 H3C 89.1 . . ? H4D C3 H3C 127.8 . . ? H3A C3 H3C 109.0 . . ? H3B C3 H3C 110.1 . . ? C4 C3 H3'A 75.9 . . ? H4D C3 H3'A 95.2 . . ? H3A C3 H3'A 48.7 . . ? H3B C3 H3'A 153.6 . . ? H3C C3 H3'A 71.7 . . ? C4 C3 H3'C 96.2 . . ? H4D C3 H3'C 135.2 . . ? H3A C3 H3'C 103.4 . . ? H3B C3 H3'C 107.7 . . ? H3C C3 H3'C 8.0 . . ? H3'A C3 H3'C 70.3 . . ? C4 C3' H3A 88.7 . . ? C4 C3' H3C 103.8 . . ? H3A C3' H3C 76.3 . . ? C4 C3' H3'A 107.7 . . ? H3A C3' H3'A 50.2 . . ? H3C C3' H3'A 115.3 . . ? C4 C3' H3'B 107.4 . . ? H3A C3' H3'B 158.2 . . ? H3C C3' H3'B 112.5 . . ? H3'A C3' H3'B 109.5 . . ? C4 C3' H3'C 113.2 . . ? H3A C3' H3'C 75.8 . . ? H3C C3' H3'C 9.5 . . ? H3'A C3' H3'C 109.5 . . ? H3'B C3' H3'C 109.6 . . ? C3' C4 O2 117.5(17) . . ? C3' C4 C3 50.2(17) . . ? O2 C4 C3 113.0(14) . . ? C3' C4 H4C 112.6 . . ? O2 C4 H4C 106.8 . . ? C3 C4 H4C 140.1 . . ? C3' C4 H4D 106.4 . . ? O2 C4 H4D 108.3 . . ? C3 C4 H4D 60.3 . . ? H4C C4 H4D 104.5 . . ? C3' C4 H4A 83.6 . . ? O2 C4 H4A 108.8 . . ? C3 C4 H4A 127.9 . . ? H4C C4 H4A 33.3 . . ? H4D C4 H4A 130.8 . . ? C3' C4 H4B 127.3 . . ? O2 C4 H4B 107.4 . . ? C3 C4 H4B 88.4 . . ? H4C C4 H4B 76.8 . . ? H4D C4 H4B 29.5 . . ? H4A C4 H4B 107.5 . . ? C6 C5 H5A 109.5 . . ? C6 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C6 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O3 C6 C5 109.3(10) . . ? O3 C6 H6A 109.8 . . ? C5 C6 H6A 109.8 . . ? O3 C6 H6B 109.8 . . ? C5 C6 H6B 109.8 . . ? H6A C6 H6B 108.3 . . ? C8 C7 H7A 109.5 . . ? C8 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C8 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? O4 C8 C7 112.0(11) . . ? O4 C8 H8A 109.2 . . ? C7 C8 H8A 109.2 . . ? O4 C8 H8B 109.2 . . ? C7 C8 H8B 109.2 . . ? H8A C8 H8B 107.9 . . ? C10 C9 H9A 109.5 . . ? C10 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C10 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? O5 C10 C9 109.5(11) . . ? O5 C10 H10A 109.8 . . ? C9 C10 H10A 109.8 . . ? O5 C10 H10B 109.8 . . ? C9 C10 H10B 109.8 . . ? H10A C10 H10B 108.2 . . ? C12 C11 H11A 109.5 . . ? C12 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C12 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? O6 C12 C11 107.9(9) . . ? O6 C12 H12A 110.1 . . ? C11 C12 H12A 110.1 . . ? O6 C12 H12B 110.1 . . ? C11 C12 H12B 110.1 . . ? H12A C12 H12B 108.4 . . ? C14 C13 H13A 109.5 . . ? C14 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C14 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? O7 C14 C13 107.0(12) . . ? O7 C14 H14A 110.3 . . ? C13 C14 H14A 110.3 . . ? O7 C14 H14B 110.3 . . ? C13 C14 H14B 110.3 . . ? H14A C14 H14B 108.6 . . ? C16 C15 H15A 109.5 . . ? C16 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C16 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C15 C16 O8 116.3(17) . . ? C15 C16 H16A 108.2 . . ? O8 C16 H16A 108.2 . . ? C15 C16 H16B 108.2 . . ? O8 C16 H16B 108.2 . . ? H16A C16 H16B 107.4 . . ? C18 C17 H17A 109.5 . . ? C18 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C18 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C17 C18 O9 111.4(13) . . ? C17 C18 H18A 109.3 . . ? O9 C18 H18A 109.3 . . ? C17 C18 H18B 109.3 . . ? O9 C18 H18B 109.3 . . ? H18A C18 H18B 108.0 . . ? C20 C19 H19A 109.5 . . ? C20 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C20 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? O10 C20 C19 112.1(17) . . ? O10 C20 H20A 109.2 . . ? C19 C20 H20A 109.2 . . ? O10 C20 H20B 109.2 . . ? C19 C20 H20B 109.2 . . ? H20A C20 H20B 107.9 . . ? C22 C21 H21A 109.5 . . ? C22 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C22 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? O11 C22 C21 109.4(9) . . ? O11 C22 H22A 109.8 . . ? C21 C22 H22A 109.8 . . ? O11 C22 H22B 109.8 . . ? C21 C22 H22B 109.8 . . ? H22A C22 H22B 108.3 . . ? C24 C23 H23A 109.5 . . ? C24 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C24 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? O12 C24 C23 110.8(11) . . ? O12 C24 H24A 109.5 . . ? C23 C24 H24A 109.5 . . ? O12 C24 H24B 109.5 . . ? C23 C24 H24B 109.5 . . ? H24A C24 H24B 108.1 . . ? C26 C25 C26' 56.4(19) . . ? C26 C25 H25D 55.3 . . ? C26' C25 H25D 109.5 . . ? C26 C25 H25E 118.2 . . ? C26' C25 H25E 102.3 . . ? H25D C25 H25E 94.6 . . ? C26 C25 H25F 135.0 . . ? C26' C25 H25F 118.5 . . ? H25D C25 H25F 120.4 . . ? H25E C25 H25F 106.7 . . ? C26 C25 H25A 111.1 . . ? C26' C25 H25A 115.4 . . ? H25D C25 H25A 75.8 . . ? H25E C25 H25A 20.2 . . ? H25F C25 H25A 109.9 . . ? C26 C25 H25B 109.0 . . ? C26' C25 H25B 54.1 . . ? H25D C25 H25B 163.6 . . ? H25E C25 H25B 89.4 . . ? H25F C25 H25B 73.2 . . ? H25A C25 H25B 109.5 . . ? C26 C25 H25C 108.3 . . ? C26' C25 H25C 135.1 . . ? H25D C25 H25C 82.2 . . ? H25E C25 H25C 120.2 . . ? H25F C25 H25C 38.9 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.4 . . ? C28 C27 H27A 109.5 . . ? C28 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C28 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? C27 C28 O14 101.3(15) . . ? C27 C28 O14' 108(2) . . ? O14 C28 O14' 48.2(14) . . ? C27 C28 H28C 117.9 . . ? O14 C28 H28C 69.6 . . ? O14' C28 H28C 107.7 . . ? C27 C28 H28D 119.9 . . ? O14 C28 H28D 138.5 . . ? O14' C28 H28D 108.9 . . ? H28C C28 H28D 93.3 . . ? C27 C28 H28A 112.2 . . ? O14 C28 H28A 111.0 . . ? O14' C28 H28A 138.1 . . ? H28C C28 H28A 41.5 . . ? H28D C28 H28A 59.6 . . ? C27 C28 H28B 112.5 . . ? O14 C28 H28B 110.1 . . ? O14' C28 H28B 63.5 . . ? H28C C28 H28B 128.6 . . ? H28D C28 H28B 51.5 . . ? H28A C28 H28B 109.5 . . ? C30 C29 H29A 109.5 . . ? C30 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C30 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? O15 C30 C29 105(2) . . ? O15 C30 H30A 110.8 . . ? C29 C30 H30A 110.8 . . ? O15 C30 H30B 110.8 . . ? C29 C30 H30B 110.8 . . ? H30A C30 H30B 108.9 . . ? C32 C31 H31A 109.5 . . ? C32 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C32 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? O21 C32 O21' 51.4(7) . . ? O21 C32 C31 111.0(11) . . ? O21' C32 C31 152.8(12) . . ? O21 C32 P5' 81.1(6) . . ? O21' C32 P5' 43.8(4) . . ? C31 C32 P5' 163.4(11) . . ? O21 C32 H32C 77.0 . . ? O21' C32 H32C 101.5 . . ? C31 C32 H32C 92.5 . . ? P5' C32 H32C 78.9 . . ? O21 C32 H32D 153.8 . . ? O21' C32 H32D 106.2 . . ? C31 C32 H32D 94.7 . . ? P5' C32 H32D 72.7 . . ? H32C C32 H32D 97.6 . . ? O21 C32 H32A 109.7 . . ? O21' C32 H32A 97.3 . . ? C31 C32 H32A 109.1 . . ? P5' C32 H32A 54.9 . . ? H32C C32 H32A 46.1 . . ? H32D C32 H32A 54.4 . . ? O21 C32 H32B 109.4 . . ? O21' C32 H32B 66.5 . . ? C31 C32 H32B 109.6 . . ? P5' C32 H32B 75.1 . . ? H32C C32 H32B 151.7 . . ? H32D C32 H32B 64.1 . . ? H32A C32 H32B 108.0 . . ? C34 C33 H33A 109.5 . . ? C34 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C34 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? O17 C34 C33 108(2) . . ? O17 C34 H34A 110.0 . . ? C33 C34 H34A 110.0 . . ? O17 C34 H34B 110.0 . . ? C33 C34 H34B 110.0 . . ? H34A C34 H34B 108.4 . . ? C36 C35 H35A 109.5 . . ? C36 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C36 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? O18' C36 O18 99.1(18) . . ? O18' C36 C35 108.4(19) . . ? O18 C36 C35 108.9(13) . . ? O18' C36 H36C 108.4 . . ? O18 C36 H36C 17.0 . . ? C35 C36 H36C 117.1 . . ? O18' C36 H36D 105.1 . . ? O18 C36 H36D 123.3 . . ? C35 C36 H36D 110.5 . . ? H36C C36 H36D 106.6 . . ? O18' C36 H36B 11.9 . . ? O18 C36 H36B 109.1 . . ? C35 C36 H36B 109.9 . . ? H36C C36 H36B 116.2 . . ? H36D C36 H36B 93.9 . . ? O18' C36 H36A 119.0 . . ? O18 C36 H36A 110.1 . . ? C35 C36 H36A 110.4 . . ? H36C C36 H36A 93.2 . . ? H36D C36 H36A 16.2 . . ? H36B C36 H36A 108.4 . . ? C38 C37 H37A 109.5 . . ? C38 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? C38 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? O19' C38 C37 114.9(18) . . ? O19' C38 O19 128.7(16) . . ? C37 C38 O19 116.2(14) . . ? O19' C38 H38C 118.1 . . ? C37 C38 H38C 95.0 . . ? O19 C38 H38C 53.4 . . ? O19' C38 H38D 132.6 . . ? C37 C38 H38D 95.0 . . ? O19 C38 H38D 45.6 . . ? H38C C38 H38D 93.2 . . ? O19' C38 H38A 59.9 . . ? C37 C38 H38A 107.1 . . ? O19 C38 H38A 107.6 . . ? H38C C38 H38A 156.4 . . ? H38D C38 H38A 77.0 . . ? O19' C38 H38B 48.4 . . ? C37 C38 H38B 108.9 . . ? O19 C38 H38B 109.0 . . ? H38C C38 H38B 71.5 . . ? H38D C38 H38B 152.3 . . ? H38A C38 H38B 107.7 . . ? C40 C39 H39A 109.5 . . ? C40 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? C40 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? O20 C40 C39 104.5(12) . . ? O20 C40 H40A 110.8 . . ? C39 C40 H40A 110.8 . . ? O20 C40 H40B 110.8 . . ? C39 C40 H40B 110.8 . . ? H40A C40 H40B 108.9 . . ? C42 C41 H41A 109.5 . . ? C42 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C42 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? O16 C42 C41 111.6(16) . . ? O16 C42 H42A 109.3 . . ? C41 C42 H42A 109.3 . . ? O16 C42 H42B 109.3 . . ? C41 C42 H42B 109.3 . . ? H42A C42 H42B 108.0 . . ? C44 C43 H43A 109.5 . . ? C44 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? C44 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? C43 C44 O22 105.4(11) . . ? C43 C44 O22' 99.3(18) . . ? O22 C44 O22' 57(3) . . ? C43 C44 H44C 104.5 . . ? O22 C44 H44C 62.9 . . ? O22' C44 H44C 118.7 . . ? C43 C44 H44D 107.1 . . ? O22 C44 H44D 146.4 . . ? O22' C44 H44D 124.7 . . ? H44C C44 H44D 100.6 . . ? C43 C44 H44A 110.5 . . ? O22 C44 H44A 110.2 . . ? O22' C44 H44A 150.1 . . ? H44C C44 H44A 51.4 . . ? H44D C44 H44A 49.6 . . ? C43 C44 H44B 111.3 . . ? O22 C44 H44B 110.7 . . ? O22' C44 H44B 61.1 . . ? H44C C44 H44B 143.8 . . ? H44D C44 H44B 64.2 . . ? H44A C44 H44B 108.6 . . ? C46 C45 H45A 109.5 . . ? C46 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? C46 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? C45 C46 O23 118.8(15) . . ? C45 C46 O23' 112.3(5) . . ? O23 C46 O23' 111.3(12) . . ? C45 C46 H46D 95.6 . . ? O23 C46 H46D 25.5 . . ? O23' C46 H46D 115.9 . . ? C45 C46 H46C 98.6 . . ? O23 C46 H46C 89.8 . . ? O23' C46 H46C 124.7 . . ? H46D C46 H46C 104.7 . . ? C45 C46 H46A 107.2 . . ? O23 C46 H46A 105.9 . . ? O23' C46 H46A 12.8 . . ? H46D C46 H46A 105.9 . . ? H46C C46 H46A 137.3 . . ? C45 C46 H46B 108.7 . . ? O23 C46 H46B 107.3 . . ? O23' C46 H46B 95.8 . . ? H46D C46 H46B 128.8 . . ? H46C C46 H46B 29.4 . . ? H46A C46 H46B 108.6 . . ? C48 C47 H47A 109.5 . . ? C48 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C48 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C47 C48 O24 101.8(14) . . ? C47 C48 H48A 111.4 . . ? O24 C48 H48A 111.4 . . ? C47 C48 H48B 111.4 . . ? O24 C48 H48B 111.4 . . ? H48A C48 H48B 109.3 . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 3.300 _refine_diff_density_min -1.527 _refine_diff_density_rms 0.160 data_complex-3 _database_code_depnum_ccdc_archive 'CCDC 888777' #TrackingRef 'Complex-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C12 H36 Cl2 O12 P4 Ru' _chemical_formula_sum 'C12 H36 Cl2 O12 P4 Ru' _chemical_formula_weight 668.26 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' 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 P2(1)/n _symmetry_space_group_name_Hall -P2yn 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 18.310(4) _cell_length_b 20.351(4) _cell_length_c 28.915(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.03(3) _cell_angle_gamma 90.00 _cell_volume 10775(4) _cell_formula_units_Z 16 _cell_measurement_temperature 153(1) _cell_measurement_reflns_used 13551 _cell_measurement_theta_min 2.91 _cell_measurement_theta_max 27.39 _exptl_crystal_description Block _exptl_crystal_colour Yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.09 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.648 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5472 _exptl_absorpt_coefficient_mu 1.067 _exptl_absorpt_correction_type Gaussian _exptl_absorpt_correction_T_min 0.8149 _exptl_absorpt_correction_T_max 0.9101 _exptl_absorpt_process_details ; Absorption correction given as Gaussian ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 153(1) _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 _diffrn_measurement_method \w-scans _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 18957 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0445 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 21 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -34 _diffrn_reflns_limit_l_max 34 _diffrn_reflns_theta_min 2.99 _diffrn_reflns_theta_max 25.00 _reflns_number_total 18957 _reflns_number_gt 17934 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect software, Nonius B.V. 1998' _computing_cell_refinement 'Collect software, Nonius B.V. 1998' _computing_data_reduction ; DENZO and Scalepack (Otwinoski and Minor, 1997) ; _computing_structure_solution ; SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. ; _computing_structure_refinement 'XL SHELXTL/PC, Siemens Analytical' _computing_molecular_graphics 'XP SHELXTL/PC, Siemens Analytical' _computing_publication_material ? _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. ISOR was applied to all non-hydrogen atoms to allow their Uij components approximate to isotropic behavior (restraints 744). ; _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^)+(0.0000P)^2^+82.6187P] 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 18957 _refine_ls_number_parameters 1117 _refine_ls_number_restraints 744 _refine_ls_R_factor_all 0.0791 _refine_ls_R_factor_gt 0.0723 _refine_ls_wR_factor_ref 0.1316 _refine_ls_wR_factor_gt 0.1287 _refine_ls_goodness_of_fit_ref 1.240 _refine_ls_restrained_S_all 1.220 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.75751(2) 0.26488(2) 0.502294(14) 0.00952(10) Uani 1 1 d U . . Ru2 Ru 0.49607(2) 0.50086(2) 0.747453(15) 0.01003(10) Uani 1 1 d U . . Ru3 Ru 0.49739(2) 0.00523(2) 0.747980(15) 0.01117(11) Uani 1 1 d U . . Ru4 Ru 0.75294(2) 0.76021(2) 0.507968(15) 0.01265(11) Uani 1 1 d U . . Cl1 Cl 0.87508(7) 0.27519(7) 0.54189(5) 0.0144(3) Uani 1 1 d U . . Cl2 Cl 0.64150(7) 0.25693(7) 0.46163(5) 0.0183(3) Uani 1 1 d U . . Cl3 Cl 0.60475(7) 0.51782(7) 0.69992(5) 0.0172(3) Uani 1 1 d U . . Cl4 Cl 0.38673(7) 0.48683(7) 0.79501(5) 0.0186(3) Uani 1 1 d U . . Cl5 Cl 0.61047(8) 0.01950(7) 0.70391(5) 0.0189(3) Uani 1 1 d U . . Cl6 Cl 0.38545(8) -0.01124(7) 0.79181(5) 0.0192(3) Uani 1 1 d U . . Cl7 Cl 0.84825(7) 0.77268(7) 0.56666(5) 0.0168(3) Uani 1 1 d U . . Cl8 Cl 0.65799(8) 0.74731(8) 0.44866(5) 0.0220(3) Uani 1 1 d U . . P1 P 0.69905(9) 0.21769(8) 0.56604(5) 0.0185(3) Uani 1 1 d U . . P2 P 0.79271(8) 0.16058(7) 0.47761(5) 0.0172(3) Uani 1 1 d U . . P3 P 0.80359(8) 0.31041(7) 0.43399(5) 0.0158(3) Uani 1 1 d U . . P4 P 0.72961(8) 0.36861(8) 0.53295(5) 0.0180(3) Uani 1 1 d U . . P5 P 0.54780(8) 0.40591(7) 0.77838(5) 0.0154(3) Uani 1 1 d U . . P6 P 0.43981(8) 0.43776(7) 0.69027(5) 0.0133(3) Uani 1 1 d U . . P7 P 0.44757(8) 0.59492(7) 0.71240(5) 0.0140(3) Uani 1 1 d U . . P8 P 0.54705(8) 0.56474(7) 0.80731(5) 0.0131(3) Uani 1 1 d U . . P9 P 0.44966(9) 0.10256(8) 0.71724(5) 0.0180(3) Uani 1 1 d U . . P10 P 0.55099(8) 0.06463(8) 0.80834(5) 0.0159(3) Uani 1 1 d U . . P11 P 0.54488(8) -0.08964(8) 0.78226(6) 0.0194(3) Uani 1 1 d U . . P12 P 0.44792(8) -0.05684(8) 0.68697(5) 0.0186(3) Uani 1 1 d U . . P13 P 0.67800(8) 0.70585(7) 0.56074(5) 0.0144(3) Uani 1 1 d U . . P14 P 0.80878(8) 0.66106(8) 0.48722(5) 0.0169(3) Uani 1 1 d U . . P15 P 0.82256(9) 0.81593(8) 0.45216(6) 0.0210(3) Uani 1 1 d U . . P16 P 0.70246(9) 0.85911(8) 0.53319(6) 0.0234(4) Uani 1 1 d U . . O1 O 0.6339(2) 0.2548(2) 0.59296(14) 0.0260(10) Uani 1 1 d U . . O2 O 0.7448(2) 0.1940(2) 0.61022(14) 0.0274(10) Uani 1 1 d U . . O3 O 0.6636(2) 0.1495(2) 0.55114(14) 0.0258(10) Uani 1 1 d U . . O4 O 0.8063(2) 0.1013(2) 0.51334(14) 0.0265(10) Uani 1 1 d U . . O5 O 0.7446(2) 0.1209(2) 0.44081(15) 0.0257(10) Uani 1 1 d U . . O6 O 0.8679(2) 0.1658(2) 0.45008(14) 0.0203(9) Uani 1 1 d U . . O7 O 0.7577(2) 0.3739(2) 0.42064(13) 0.0205(9) Uani 1 1 d U . . O8 O 0.8850(2) 0.3401(2) 0.43271(15) 0.0243(10) Uani 1 1 d U . . O9 O 0.8083(2) 0.2697(2) 0.38610(14) 0.0232(9) Uani 1 1 d U . . O10 O 0.7677(2) 0.4356(2) 0.51536(15) 0.0249(10) Uani 1 1 d U . . O11 O 0.7438(2) 0.3689(2) 0.58697(14) 0.0223(9) Uani 1 1 d U . . O12 O 0.6469(2) 0.3950(2) 0.53206(15) 0.0273(10) Uani 1 1 d U . . O13 O 0.6220(2) 0.4236(2) 0.80522(15) 0.0237(10) Uani 1 1 d U . . O14 O 0.5056(2) 0.3657(2) 0.81788(14) 0.0226(9) Uani 1 1 d U . . O15 O 0.5706(2) 0.34393(19) 0.74679(14) 0.0199(9) Uani 1 1 d U . . O16 O 0.4221(2) 0.36596(19) 0.70910(14) 0.0207(9) Uani 1 1 d U . . O17 O 0.4839(2) 0.4181(2) 0.64430(14) 0.0238(10) Uani 1 1 d U . . O18 O 0.3640(2) 0.4604(2) 0.66651(13) 0.0175(9) Uani 1 1 d U . . O19 O 0.4517(2) 0.58879(19) 0.65720(13) 0.0180(9) Uani 1 1 d U . . O20 O 0.4784(2) 0.66808(19) 0.72187(14) 0.0194(9) Uani 1 1 d U . . O21 O 0.3621(2) 0.6111(2) 0.71837(14) 0.0225(9) Uani 1 1 d U . . O22 O 0.6234(2) 0.60241(19) 0.79933(13) 0.0170(9) Uani 1 1 d U . . O23 O 0.4949(2) 0.6255(2) 0.81835(13) 0.0175(9) Uani 1 1 d U . . O24 O 0.5664(2) 0.5358(2) 0.85801(13) 0.0188(9) Uani 1 1 d U . . O25 O 0.3780(2) 0.0880(2) 0.68715(15) 0.0257(10) Uani 1 1 d U . . O26 O 0.4968(2) 0.1430(2) 0.67994(14) 0.0261(10) Uani 1 1 d U . . O27 O 0.4255(2) 0.1642(2) 0.74858(14) 0.0211(9) Uani 1 1 d U . . O28 O 0.5664(2) 0.13789(19) 0.79237(13) 0.0168(9) Uani 1 1 d U . . O29 O 0.6271(2) 0.0417(2) 0.83157(14) 0.0205(9) Uani 1 1 d U . . O30 O 0.5058(2) 0.0786(2) 0.85481(13) 0.0192(9) Uani 1 1 d U . . O31 O 0.6309(3) -0.1043(2) 0.77732(18) 0.0355(12) Uani 1 1 d U . . O32 O 0.5397(2) -0.0846(2) 0.83656(14) 0.0233(10) Uani 1 1 d U . . O33 O 0.5157(2) -0.1634(2) 0.77194(15) 0.0274(10) Uani 1 1 d U . . O34 O 0.4296(2) -0.0271(2) 0.63675(14) 0.0247(10) Uani 1 1 d U . . O35 O 0.4994(2) -0.1175(2) 0.67523(14) 0.0225(10) Uani 1 1 d U . . O36 O 0.3713(2) -0.0944(2) 0.69394(15) 0.0237(10) Uani 1 1 d U . . O37 O 0.5994(2) 0.7347(2) 0.57459(13) 0.0197(9) Uani 1 1 d U . . O38 O 0.7062(2) 0.6900(2) 0.61194(14) 0.0225(9) Uani 1 1 d U . . O39 O 0.6607(2) 0.6327(2) 0.54373(15) 0.0241(10) Uani 1 1 d U . . O40 O 0.8122(2) 0.5987(2) 0.52136(14) 0.0208(9) Uani 1 1 d U . . O41 O 0.7820(2) 0.6227(2) 0.44181(14) 0.0243(10) Uani 1 1 d U . . O42 O 0.8924(2) 0.6735(2) 0.47473(16) 0.0280(10) Uani 1 1 d U . . O43 O 0.8963(2) 0.8523(2) 0.46743(16) 0.0300(11) Uani 1 1 d U . . O44 O 0.8534(2) 0.7797(3) 0.40674(15) 0.0319(11) Uani 1 1 d U . . O45 O 0.7781(2) 0.8773(2) 0.43183(16) 0.0301(11) Uani 1 1 d U . . O46 O 0.7405(3) 0.9292(2) 0.52354(17) 0.0335(11) Uani 1 1 d U . . O47 O 0.6205(3) 0.8776(2) 0.51866(19) 0.0415(13) Uani 1 1 d U . . O48 O 0.6920(2) 0.8591(2) 0.58807(16) 0.0286(10) Uani 1 1 d U . . C1 C 0.5635(3) 0.2689(4) 0.5716(2) 0.0311(16) Uani 1 1 d U . . H1A H 0.5321 0.2915 0.5940 0.047 Uiso 1 1 calc R . . H1B H 0.5403 0.2277 0.5621 0.047 Uiso 1 1 calc R . . H1C H 0.5708 0.2970 0.5445 0.047 Uiso 1 1 calc R . . C2 C 0.7742(4) 0.2376(3) 0.6439(2) 0.0279(15) Uani 1 1 d U . . H2A H 0.7997 0.2122 0.6677 0.042 Uiso 1 1 calc R . . H2B H 0.7345 0.2627 0.6582 0.042 Uiso 1 1 calc R . . H2C H 0.8085 0.2678 0.6290 0.042 Uiso 1 1 calc R . . C3 C 0.6310(5) 0.1041(4) 0.5831(3) 0.0403(19) Uani 1 1 d U . . H3A H 0.6126 0.0658 0.5662 0.060 Uiso 1 1 calc R . . H3B H 0.5904 0.1256 0.5993 0.060 Uiso 1 1 calc R . . H3C H 0.6676 0.0899 0.6057 0.060 Uiso 1 1 calc R . . C4 C 0.8537(4) 0.1068(3) 0.5529(2) 0.0280(15) Uani 1 1 d U . . H4A H 0.8363 0.0775 0.5775 0.042 Uiso 1 1 calc R . . H4B H 0.8535 0.1522 0.5641 0.042 Uiso 1 1 calc R . . H4C H 0.9035 0.0943 0.5441 0.042 Uiso 1 1 calc R . . C5 C 0.6793(4) 0.0845(4) 0.4535(2) 0.0312(16) Uani 1 1 d U . . H5A H 0.6583 0.0639 0.4258 0.047 Uiso 1 1 calc R . . H5B H 0.6434 0.1145 0.4672 0.047 Uiso 1 1 calc R . . H5C H 0.6920 0.0503 0.4760 0.047 Uiso 1 1 calc R . . C6 C 0.9017(4) 0.1104(3) 0.4272(2) 0.0311(16) Uani 1 1 d U . . H6A H 0.9473 0.1246 0.4125 0.047 Uiso 1 1 calc R . . H6B H 0.8685 0.0931 0.4036 0.047 Uiso 1 1 calc R . . H6C H 0.9122 0.0760 0.4499 0.047 Uiso 1 1 calc R . . C7 C 0.7744(4) 0.4163(3) 0.3816(2) 0.0290(15) Uani 1 1 d U . . H7A H 0.7447 0.4563 0.3835 0.043 Uiso 1 1 calc R . . H7B H 0.7634 0.3932 0.3527 0.043 Uiso 1 1 calc R . . H7C H 0.8263 0.4281 0.3823 0.043 Uiso 1 1 calc R . . C8 C 0.9494(3) 0.2989(3) 0.4315(2) 0.0237(14) Uani 1 1 d U . . H8A H 0.9931 0.3266 0.4309 0.036 Uiso 1 1 calc R . . H8B H 0.9482 0.2712 0.4038 0.036 Uiso 1 1 calc R . . H8C H 0.9504 0.2710 0.4591 0.036 Uiso 1 1 calc R . . C9 C 0.7462(4) 0.2383(4) 0.3635(2) 0.0299(16) Uani 1 1 d U . . H9A H 0.7626 0.2168 0.3350 0.045 Uiso 1 1 calc R . . H9B H 0.7093 0.2715 0.3561 0.045 Uiso 1 1 calc R . . H9C H 0.7250 0.2054 0.3844 0.045 Uiso 1 1 calc R . . C10 C 0.8469(4) 0.4430(3) 0.5133(3) 0.0308(16) Uani 1 1 d U . . H10A H 0.8590 0.4871 0.5019 0.046 Uiso 1 1 calc R . . H10B H 0.8674 0.4100 0.4924 0.046 Uiso 1 1 calc R . . H10C H 0.8676 0.4371 0.5443 0.046 Uiso 1 1 calc R . . C11 C 0.7281(4) 0.4253(3) 0.6164(2) 0.0349(17) Uani 1 1 d U . . H11A H 0.7412 0.4148 0.6485 0.052 Uiso 1 1 calc R . . H11B H 0.6760 0.4358 0.6147 0.052 Uiso 1 1 calc R . . H11C H 0.7567 0.4632 0.6060 0.052 Uiso 1 1 calc R . . C12 C 0.6153(4) 0.4212(4) 0.4900(2) 0.0359(17) Uani 1 1 d U . . H12A H 0.5624 0.4139 0.4902 0.054 Uiso 1 1 calc R . . H12B H 0.6369 0.3991 0.4632 0.054 Uiso 1 1 calc R . . H12C H 0.6253 0.4685 0.4881 0.054 Uiso 1 1 calc R . . C13 C 0.6623(4) 0.3742(4) 0.8307(3) 0.0376(18) Uani 1 1 d U . . H13A H 0.7056 0.3942 0.8447 0.056 Uiso 1 1 calc R . . H13B H 0.6773 0.3390 0.8096 0.056 Uiso 1 1 calc R . . H13C H 0.6311 0.3559 0.8551 0.056 Uiso 1 1 calc R . . C14 C 0.4449(4) 0.3224(3) 0.8092(2) 0.0287(15) Uani 1 1 d U . . H14A H 0.4283 0.3033 0.8385 0.043 Uiso 1 1 calc R . . H14B H 0.4603 0.2872 0.7882 0.043 Uiso 1 1 calc R . . H14C H 0.4049 0.3473 0.7951 0.043 Uiso 1 1 calc R . . C15 C 0.6204(4) 0.3510(3) 0.7086(2) 0.0281(15) Uani 1 1 d U . . H15A H 0.6275 0.3083 0.6937 0.042 Uiso 1 1 calc R . . H15B H 0.6674 0.3674 0.7200 0.042 Uiso 1 1 calc R . . H15C H 0.6002 0.3822 0.6862 0.042 Uiso 1 1 calc R . . C16 C 0.3915(4) 0.3147(3) 0.6797(3) 0.0323(16) Uani 1 1 d U . . H16A H 0.3846 0.2745 0.6979 0.048 Uiso 1 1 calc R . . H16B H 0.4249 0.3058 0.6540 0.048 Uiso 1 1 calc R . . H16C H 0.3442 0.3292 0.6675 0.048 Uiso 1 1 calc R . . C17 C 0.4952(4) 0.4603(4) 0.6061(2) 0.0338(17) Uani 1 1 d U . . H17A H 0.5236 0.4373 0.5824 0.051 Uiso 1 1 calc R . . H17B H 0.5220 0.4995 0.6163 0.051 Uiso 1 1 calc R . . H17C H 0.4479 0.4735 0.5933 0.051 Uiso 1 1 calc R . . C18 C 0.2961(3) 0.4603(3) 0.6924(2) 0.0195(13) Uani 1 1 d U . . H18A H 0.2554 0.4502 0.6716 0.029 Uiso 1 1 calc R . . H18B H 0.2884 0.5037 0.7063 0.029 Uiso 1 1 calc R . . H18C H 0.2985 0.4270 0.7169 0.029 Uiso 1 1 calc R . . C19 C 0.4237(4) 0.6398(3) 0.6273(2) 0.0289(15) Uani 1 1 d U . . H19A H 0.4517 0.6405 0.5985 0.043 Uiso 1 1 calc R . . H19B H 0.4283 0.6825 0.6428 0.043 Uiso 1 1 calc R . . H19C H 0.3722 0.6312 0.6205 0.043 Uiso 1 1 calc R . . C20 C 0.5531(3) 0.6856(3) 0.7107(2) 0.0247(14) Uani 1 1 d U . . H20A H 0.5617 0.7316 0.7188 0.037 Uiso 1 1 calc R . . H20B H 0.5614 0.6794 0.6775 0.037 Uiso 1 1 calc R . . H20C H 0.5866 0.6575 0.7282 0.037 Uiso 1 1 calc R . . C21 C 0.3336(4) 0.6383(4) 0.7607(2) 0.0326(16) Uani 1 1 d U . . H21A H 0.2807 0.6447 0.7576 0.049 Uiso 1 1 calc R . . H21B H 0.3571 0.6807 0.7668 0.049 Uiso 1 1 calc R . . H21C H 0.3434 0.6081 0.7863 0.049 Uiso 1 1 calc R . . C22 C 0.6929(3) 0.5684(3) 0.8013(2) 0.0248(14) Uani 1 1 d U . . H22A H 0.7325 0.5998 0.7955 0.037 Uiso 1 1 calc R . . H22B H 0.6940 0.5338 0.7777 0.037 Uiso 1 1 calc R . . H22C H 0.6992 0.5488 0.8320 0.037 Uiso 1 1 calc R . . C23 C 0.5170(4) 0.6780(3) 0.8492(2) 0.0279(15) Uani 1 1 d U . . H23A H 0.4777 0.7105 0.8514 0.042 Uiso 1 1 calc R . . H23B H 0.5612 0.6991 0.8371 0.042 Uiso 1 1 calc R . . H23C H 0.5271 0.6598 0.8799 0.042 Uiso 1 1 calc R . . C24 C 0.5147(4) 0.5006(4) 0.8853(2) 0.0296(16) Uani 1 1 d U . . H24A H 0.5373 0.4874 0.9146 0.044 Uiso 1 1 calc R . . H24B H 0.4987 0.4613 0.8684 0.044 Uiso 1 1 calc R . . H24C H 0.4724 0.5287 0.8916 0.044 Uiso 1 1 calc R . . C25 C 0.3406(4) 0.1396(3) 0.6621(3) 0.0373(18) Uani 1 1 d U . . H25A H 0.2983 0.1210 0.6460 0.056 Uiso 1 1 calc R . . H25B H 0.3741 0.1591 0.6394 0.056 Uiso 1 1 calc R . . H25C H 0.3243 0.1735 0.6838 0.056 Uiso 1 1 calc R . . C26 C 0.5560(4) 0.1856(3) 0.6925(2) 0.0257(15) Uani 1 1 d U . . H26A H 0.5770 0.2052 0.6645 0.039 Uiso 1 1 calc R . . H26B H 0.5936 0.1603 0.7088 0.039 Uiso 1 1 calc R . . H26C H 0.5378 0.2206 0.7128 0.039 Uiso 1 1 calc R . . C27 C 0.3763(3) 0.1573(3) 0.7876(2) 0.0234(14) Uani 1 1 d U . . H27A H 0.3686 0.2003 0.8021 0.035 Uiso 1 1 calc R . . H27B H 0.3976 0.1270 0.8102 0.035 Uiso 1 1 calc R . . H27C H 0.3294 0.1398 0.7768 0.035 Uiso 1 1 calc R . . C28 C 0.5945(4) 0.1887(3) 0.8232(2) 0.0257(14) Uani 1 1 d U . . H28A H 0.5999 0.2300 0.8060 0.039 Uiso 1 1 calc R . . H28B H 0.6421 0.1752 0.8354 0.039 Uiso 1 1 calc R . . H28C H 0.5603 0.1952 0.8489 0.039 Uiso 1 1 calc R . . C29 C 0.6963(3) 0.0452(3) 0.8069(2) 0.0217(14) Uani 1 1 d U . . H29A H 0.7356 0.0291 0.8269 0.033 Uiso 1 1 calc R . . H29B H 0.7062 0.0909 0.7982 0.033 Uiso 1 1 calc R . . H29C H 0.6936 0.0180 0.7789 0.033 Uiso 1 1 calc R . . C30 C 0.4851(4) 0.0311(3) 0.8886(2) 0.0224(14) Uani 1 1 d U . . H30A H 0.4580 0.0528 0.9136 0.034 Uiso 1 1 calc R . . H30B H 0.5290 0.0103 0.9014 0.034 Uiso 1 1 calc R . . H30C H 0.4542 -0.0024 0.8742 0.034 Uiso 1 1 calc R . . C31 C 0.6611(5) -0.1345(4) 0.7381(3) 0.048(2) Uani 1 1 d U . . H31A H 0.7080 -0.1139 0.7307 0.072 Uiso 1 1 calc R . . H31B H 0.6276 -0.1294 0.7119 0.072 Uiso 1 1 calc R . . H31C H 0.6686 -0.1814 0.7443 0.072 Uiso 1 1 calc R . . C32 C 0.5720(4) -0.1340(4) 0.8669(2) 0.0380(18) Uani 1 1 d U . . H32A H 0.5779 -0.1156 0.8980 0.057 Uiso 1 1 calc R . . H32B H 0.6198 -0.1470 0.8548 0.057 Uiso 1 1 calc R . . H32C H 0.5400 -0.1725 0.8683 0.057 Uiso 1 1 calc R . . C33 C 0.4403(4) -0.1805(4) 0.7808(3) 0.0368(17) Uani 1 1 d U . . H33A H 0.4322 -0.2267 0.7727 0.055 Uiso 1 1 calc R . . H33B H 0.4083 -0.1526 0.7620 0.055 Uiso 1 1 calc R . . H33C H 0.4294 -0.1738 0.8136 0.055 Uiso 1 1 calc R . . C34 C 0.4822(4) 0.0132(3) 0.6128(2) 0.0307(16) Uani 1 1 d U . . H34A H 0.4577 0.0521 0.6001 0.046 Uiso 1 1 calc R . . H34B H 0.5040 -0.0121 0.5875 0.046 Uiso 1 1 calc R . . H34C H 0.5205 0.0269 0.6344 0.046 Uiso 1 1 calc R . . C35 C 0.4779(4) -0.1677(4) 0.6418(2) 0.0346(17) Uani 1 1 d U . . H35A H 0.5166 -0.2008 0.6394 0.052 Uiso 1 1 calc R . . H35B H 0.4702 -0.1473 0.6115 0.052 Uiso 1 1 calc R . . H35C H 0.4326 -0.1888 0.6521 0.052 Uiso 1 1 calc R . . C36 C 0.3014(3) -0.0609(4) 0.6909(2) 0.0301(16) Uani 1 1 d U . . H36A H 0.2618 -0.0924 0.6961 0.045 Uiso 1 1 calc R . . H36B H 0.2961 -0.0414 0.6600 0.045 Uiso 1 1 calc R . . H36C H 0.2991 -0.0262 0.7143 0.045 Uiso 1 1 calc R . . C37 C 0.5413(3) 0.7405(4) 0.5406(2) 0.0284(15) Uani 1 1 d U . . H37A H 0.4977 0.7590 0.5553 0.043 Uiso 1 1 calc R . . H37B H 0.5298 0.6969 0.5280 0.043 Uiso 1 1 calc R . . H37C H 0.5573 0.7694 0.5154 0.043 Uiso 1 1 calc R . . C38 C 0.7099(4) 0.7369(3) 0.6487(2) 0.0306(16) Uani 1 1 d U . . H38A H 0.7288 0.7156 0.6767 0.046 Uiso 1 1 calc R . . H38B H 0.6610 0.7544 0.6549 0.046 Uiso 1 1 calc R . . H38C H 0.7425 0.7730 0.6398 0.046 Uiso 1 1 calc R . . C39 C 0.6200(4) 0.5859(3) 0.5710(2) 0.0317(16) Uani 1 1 d U . . H39A H 0.6159 0.5445 0.5540 0.048 Uiso 1 1 calc R . . H39B H 0.5710 0.6034 0.5771 0.048 Uiso 1 1 calc R . . H39C H 0.6453 0.5783 0.6003 0.048 Uiso 1 1 calc R . . C40 C 0.8409(4) 0.6031(3) 0.5677(2) 0.0244(14) Uani 1 1 d U . . H40A H 0.8382 0.5599 0.5826 0.037 Uiso 1 1 calc R . . H40B H 0.8121 0.6349 0.5855 0.037 Uiso 1 1 calc R . . H40C H 0.8919 0.6176 0.5665 0.037 Uiso 1 1 calc R . . C41 C 0.7151(4) 0.5840(3) 0.4424(2) 0.0309(16) Uani 1 1 d U . . H41A H 0.7073 0.5643 0.4118 0.046 Uiso 1 1 calc R . . H41B H 0.6737 0.6125 0.4500 0.046 Uiso 1 1 calc R . . H41C H 0.7192 0.5492 0.4656 0.046 Uiso 1 1 calc R . . C42 C 0.9404(4) 0.6212(4) 0.4599(3) 0.046(2) Uani 1 1 d U . . H42A H 0.9904 0.6380 0.4573 0.069 Uiso 1 1 calc R . . H42B H 0.9243 0.6047 0.4297 0.069 Uiso 1 1 calc R . . H42C H 0.9391 0.5854 0.4825 0.069 Uiso 1 1 calc R . . C43 C 0.9622(4) 0.8163(4) 0.4781(2) 0.0359(18) Uani 1 1 d U . . H43A H 1.0010 0.8472 0.4866 0.054 Uiso 1 1 calc R . . H43B H 0.9774 0.7908 0.4510 0.054 Uiso 1 1 calc R . . H43C H 0.9529 0.7864 0.5040 0.054 Uiso 1 1 calc R . . C44 C 0.8075(4) 0.7455(4) 0.3737(2) 0.0342(17) Uani 1 1 d U . . H44A H 0.8379 0.7272 0.3489 0.051 Uiso 1 1 calc R . . H44B H 0.7722 0.7764 0.3604 0.051 Uiso 1 1 calc R . . H44C H 0.7813 0.7098 0.3893 0.051 Uiso 1 1 calc R . . C45 C 0.8139(4) 0.9278(4) 0.4041(3) 0.047(2) Uani 1 1 d U . . H45A H 0.7779 0.9610 0.3948 0.070 Uiso 1 1 calc R . . H45B H 0.8352 0.9077 0.3764 0.070 Uiso 1 1 calc R . . H45C H 0.8526 0.9487 0.4223 0.070 Uiso 1 1 calc R . . C46 C 0.8128(4) 0.9424(4) 0.5419(3) 0.0374(18) Uani 1 1 d U . . H46A H 0.8280 0.9868 0.5330 0.056 Uiso 1 1 calc R . . H46B H 0.8475 0.9103 0.5294 0.056 Uiso 1 1 calc R . . H46D H 0.8117 0.9391 0.5757 0.056 Uiso 1 1 calc R . . C47 C 0.6027(5) 0.9032(4) 0.4747(3) 0.047(2) Uani 1 1 d U . . H47A H 0.5506 0.8962 0.4686 0.070 Uiso 1 1 calc R . . H47B H 0.6317 0.8808 0.4510 0.070 Uiso 1 1 calc R . . H47C H 0.6133 0.9504 0.4740 0.070 Uiso 1 1 calc R . . C48 C 0.6571(4) 0.9138(4) 0.6113(3) 0.046(2) Uani 1 1 d U . . H48A H 0.6513 0.9034 0.6442 0.069 Uiso 1 1 calc R . . H48B H 0.6090 0.9217 0.5975 0.069 Uiso 1 1 calc R . . H48C H 0.6874 0.9532 0.6080 0.069 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0093(2) 0.0090(2) 0.0103(2) 0.00145(17) 0.00043(17) -0.00117(17) Ru2 0.0103(2) 0.0092(2) 0.0105(2) 0.00062(17) -0.00045(17) -0.00041(17) Ru3 0.0113(2) 0.0107(2) 0.0115(2) -0.00178(17) 0.00127(18) -0.00096(17) Ru4 0.0118(2) 0.0108(2) 0.0153(2) 0.00136(18) -0.00053(18) -0.00113(18) Cl1 0.0116(6) 0.0148(7) 0.0168(7) -0.0015(5) -0.0027(5) -0.0014(5) Cl2 0.0115(7) 0.0249(8) 0.0184(7) 0.0028(6) -0.0029(5) -0.0005(6) Cl3 0.0128(7) 0.0223(7) 0.0166(7) -0.0008(6) 0.0037(5) -0.0020(6) Cl4 0.0143(7) 0.0263(8) 0.0152(7) 0.0002(6) 0.0027(6) -0.0033(6) Cl5 0.0157(7) 0.0232(8) 0.0178(7) -0.0025(6) 0.0059(6) -0.0024(6) Cl6 0.0139(7) 0.0240(8) 0.0198(7) -0.0028(6) 0.0061(6) -0.0020(6) Cl7 0.0136(7) 0.0168(7) 0.0200(7) -0.0007(6) -0.0037(5) -0.0010(5) Cl8 0.0178(7) 0.0262(8) 0.0220(7) -0.0015(6) -0.0057(6) -0.0017(6) P1 0.0192(8) 0.0190(8) 0.0173(8) 0.0020(6) 0.0016(6) -0.0043(6) P2 0.0189(8) 0.0145(8) 0.0181(8) 0.0002(6) -0.0028(6) -0.0015(6) P3 0.0158(7) 0.0161(8) 0.0157(7) 0.0023(6) 0.0012(6) 0.0003(6) P4 0.0176(8) 0.0158(8) 0.0206(8) 0.0007(6) 0.0013(6) 0.0012(6) P5 0.0176(8) 0.0131(7) 0.0156(7) 0.0021(6) -0.0044(6) 0.0001(6) P6 0.0115(7) 0.0158(7) 0.0127(7) -0.0015(6) -0.0010(6) -0.0010(6) P7 0.0134(7) 0.0130(7) 0.0157(7) 0.0011(6) -0.0006(6) 0.0013(6) P8 0.0120(7) 0.0152(7) 0.0121(7) -0.0007(6) 0.0006(6) -0.0002(6) P9 0.0207(8) 0.0166(8) 0.0166(8) -0.0009(6) -0.0016(6) 0.0002(6) P10 0.0151(8) 0.0175(8) 0.0150(7) -0.0004(6) -0.0002(6) -0.0018(6) P11 0.0174(8) 0.0161(8) 0.0247(8) -0.0003(6) 0.0025(7) 0.0031(6) P12 0.0180(8) 0.0186(8) 0.0190(8) -0.0033(6) 0.0012(6) -0.0010(6) P13 0.0132(7) 0.0139(7) 0.0161(7) -0.0005(6) 0.0000(6) -0.0023(6) P14 0.0177(8) 0.0160(8) 0.0171(8) -0.0019(6) 0.0008(6) 0.0009(6) P15 0.0163(8) 0.0246(9) 0.0221(8) 0.0088(7) -0.0046(6) -0.0054(7) P16 0.0189(8) 0.0132(8) 0.0382(10) -0.0022(7) -0.0090(7) 0.0029(6) O1 0.022(2) 0.032(3) 0.024(2) 0.0025(19) 0.0052(18) 0.0009(19) O2 0.034(3) 0.026(2) 0.022(2) 0.0066(19) -0.0011(19) -0.001(2) O3 0.032(2) 0.021(2) 0.024(2) 0.0030(18) 0.0111(19) -0.0117(19) O4 0.034(3) 0.021(2) 0.024(2) 0.0026(18) -0.0087(19) -0.0042(19) O5 0.031(2) 0.020(2) 0.026(2) 0.0005(18) -0.0052(19) -0.0059(19) O6 0.022(2) 0.016(2) 0.023(2) -0.0022(17) 0.0032(17) 0.0026(17) O7 0.026(2) 0.021(2) 0.014(2) 0.0080(17) 0.0034(17) 0.0046(18) O8 0.024(2) 0.021(2) 0.028(2) 0.0026(18) 0.0074(18) -0.0039(18) O9 0.027(2) 0.022(2) 0.021(2) 0.0005(18) 0.0012(18) -0.0004(18) O10 0.028(2) 0.013(2) 0.033(2) 0.0020(18) 0.0039(19) -0.0002(18) O11 0.028(2) 0.015(2) 0.024(2) -0.0060(17) -0.0007(18) 0.0029(18) O12 0.023(2) 0.028(2) 0.031(2) 0.002(2) 0.0048(19) 0.0080(19) O13 0.024(2) 0.017(2) 0.031(2) 0.0044(18) -0.0138(19) 0.0002(18) O14 0.031(2) 0.016(2) 0.021(2) 0.0066(17) -0.0003(18) -0.0070(18) O15 0.021(2) 0.011(2) 0.028(2) -0.0011(17) 0.0002(18) 0.0023(17) O16 0.020(2) 0.013(2) 0.029(2) -0.0004(17) -0.0074(18) -0.0019(17) O17 0.021(2) 0.035(3) 0.016(2) -0.0064(19) 0.0017(17) 0.0017(19) O18 0.011(2) 0.026(2) 0.015(2) 0.0031(17) -0.0008(16) -0.0021(17) O19 0.022(2) 0.018(2) 0.015(2) 0.0052(16) -0.0040(17) 0.0041(17) O20 0.022(2) 0.013(2) 0.024(2) 0.0029(17) 0.0015(17) -0.0022(17) O21 0.017(2) 0.022(2) 0.028(2) 0.0022(18) -0.0004(18) 0.0066(17) O22 0.013(2) 0.017(2) 0.022(2) -0.0026(17) 0.0028(16) -0.0049(16) O23 0.015(2) 0.020(2) 0.018(2) -0.0071(17) -0.0015(16) 0.0030(16) O24 0.016(2) 0.025(2) 0.015(2) 0.0021(17) -0.0003(16) -0.0048(17) O25 0.029(2) 0.021(2) 0.028(2) -0.0009(18) -0.0120(19) 0.0016(19) O26 0.038(3) 0.021(2) 0.019(2) 0.0005(18) -0.0011(19) -0.003(2) O27 0.022(2) 0.016(2) 0.026(2) -0.0029(17) -0.0016(18) -0.0003(17) O28 0.023(2) 0.012(2) 0.015(2) 0.0011(16) -0.0017(17) -0.0038(16) O29 0.017(2) 0.026(2) 0.019(2) 0.0009(18) -0.0005(17) 0.0007(18) O30 0.022(2) 0.019(2) 0.016(2) -0.0013(17) 0.0027(17) -0.0007(17) O31 0.026(2) 0.029(3) 0.052(3) 0.000(2) 0.012(2) 0.008(2) O32 0.024(2) 0.020(2) 0.026(2) 0.0055(18) -0.0035(18) 0.0038(18) O33 0.032(2) 0.015(2) 0.034(3) -0.0007(19) 0.003(2) -0.0012(19) O34 0.029(2) 0.027(2) 0.019(2) -0.0034(18) -0.0021(18) -0.0023(19) O35 0.019(2) 0.023(2) 0.025(2) -0.0136(18) -0.0010(18) 0.0012(18) O36 0.021(2) 0.020(2) 0.030(2) -0.0009(18) -0.0031(18) -0.0041(18) O37 0.012(2) 0.027(2) 0.020(2) -0.0028(18) -0.0005(16) -0.0019(17) O38 0.021(2) 0.028(2) 0.018(2) -0.0013(18) 0.0003(17) 0.0021(18) O39 0.022(2) 0.018(2) 0.032(2) -0.0040(18) 0.0089(19) -0.0075(18) O40 0.026(2) 0.015(2) 0.021(2) -0.0006(17) -0.0030(18) 0.0016(17) O41 0.028(2) 0.025(2) 0.020(2) -0.0053(18) -0.0001(18) -0.0001(19) O42 0.022(2) 0.024(2) 0.037(3) -0.005(2) 0.009(2) 0.0015(19) O43 0.021(2) 0.032(3) 0.036(3) 0.014(2) -0.005(2) -0.010(2) O44 0.027(2) 0.048(3) 0.021(2) 0.005(2) 0.0023(19) -0.005(2) O45 0.030(2) 0.024(2) 0.036(3) 0.017(2) -0.007(2) -0.011(2) O46 0.037(3) 0.022(2) 0.041(3) 0.004(2) -0.012(2) -0.004(2) O47 0.034(3) 0.031(3) 0.060(3) -0.001(2) -0.020(2) 0.012(2) O48 0.025(2) 0.023(2) 0.038(3) -0.013(2) 0.005(2) 0.0054(19) C1 0.017(3) 0.042(4) 0.035(4) 0.005(3) 0.006(3) 0.000(3) C2 0.032(4) 0.026(4) 0.026(3) 0.002(3) -0.006(3) 0.000(3) C3 0.059(5) 0.025(4) 0.037(4) 0.001(3) 0.015(4) -0.021(4) C4 0.032(4) 0.024(3) 0.027(3) -0.003(3) -0.012(3) 0.000(3) C5 0.032(4) 0.036(4) 0.026(4) -0.003(3) -0.009(3) -0.012(3) C6 0.039(4) 0.020(3) 0.035(4) -0.006(3) 0.009(3) 0.014(3) C7 0.038(4) 0.025(4) 0.024(3) 0.011(3) 0.007(3) 0.008(3) C8 0.010(3) 0.024(3) 0.037(4) 0.003(3) 0.005(3) -0.002(2) C9 0.026(4) 0.041(4) 0.022(3) -0.002(3) -0.003(3) 0.000(3) C10 0.035(4) 0.016(3) 0.042(4) -0.003(3) 0.004(3) -0.005(3) C11 0.055(5) 0.023(4) 0.027(4) -0.011(3) 0.006(3) -0.001(3) C12 0.041(4) 0.038(4) 0.029(4) -0.002(3) -0.010(3) 0.015(3) C13 0.035(4) 0.028(4) 0.050(5) 0.011(3) -0.022(3) 0.005(3) C14 0.033(4) 0.019(3) 0.034(4) 0.005(3) 0.006(3) -0.008(3) C15 0.024(3) 0.019(3) 0.041(4) -0.001(3) 0.005(3) 0.005(3) C16 0.038(4) 0.013(3) 0.047(4) -0.005(3) -0.012(3) -0.006(3) C17 0.037(4) 0.036(4) 0.029(4) -0.006(3) 0.012(3) 0.003(3) C18 0.012(3) 0.025(3) 0.021(3) 0.003(3) 0.002(2) 0.002(2) C19 0.033(4) 0.029(4) 0.025(3) 0.012(3) -0.006(3) 0.006(3) C20 0.026(3) 0.020(3) 0.028(3) 0.003(3) -0.005(3) -0.008(3) C21 0.029(4) 0.038(4) 0.031(4) -0.004(3) 0.005(3) 0.012(3) C22 0.013(3) 0.030(4) 0.032(4) -0.006(3) 0.003(3) 0.000(3) C23 0.029(4) 0.025(4) 0.030(4) -0.012(3) 0.002(3) 0.004(3) C24 0.028(4) 0.040(4) 0.020(3) 0.008(3) -0.007(3) -0.017(3) C25 0.041(4) 0.026(4) 0.045(4) 0.002(3) -0.028(3) 0.007(3) C26 0.036(4) 0.024(3) 0.018(3) 0.004(3) 0.003(3) -0.012(3) C27 0.023(3) 0.022(3) 0.025(3) -0.002(3) 0.006(3) 0.002(3) C28 0.033(4) 0.017(3) 0.027(3) -0.003(3) -0.001(3) -0.007(3) C29 0.013(3) 0.031(4) 0.021(3) 0.007(3) 0.000(2) 0.000(3) C30 0.029(3) 0.018(3) 0.020(3) 0.001(3) 0.004(3) 0.003(3) C31 0.047(5) 0.048(5) 0.050(5) -0.008(4) 0.005(4) 0.015(4) C32 0.046(4) 0.036(4) 0.032(4) 0.012(3) -0.009(3) 0.012(3) C33 0.036(4) 0.024(4) 0.051(5) 0.004(3) -0.007(3) -0.008(3) C34 0.035(4) 0.032(4) 0.025(4) 0.002(3) 0.005(3) -0.009(3) C35 0.033(4) 0.034(4) 0.037(4) -0.024(3) -0.005(3) 0.006(3) C36 0.016(3) 0.042(4) 0.032(4) -0.010(3) 0.001(3) -0.003(3) C37 0.017(3) 0.038(4) 0.030(4) 0.001(3) -0.003(3) -0.005(3) C38 0.032(4) 0.036(4) 0.024(3) -0.010(3) 0.002(3) -0.003(3) C39 0.033(4) 0.020(3) 0.042(4) 0.001(3) 0.011(3) -0.012(3) C40 0.034(4) 0.016(3) 0.024(3) 0.002(3) -0.005(3) 0.011(3) C41 0.044(4) 0.028(4) 0.020(3) -0.009(3) -0.010(3) -0.005(3) C42 0.031(4) 0.037(4) 0.069(5) -0.016(4) 0.019(4) 0.008(3) C43 0.020(3) 0.055(5) 0.032(4) 0.013(3) -0.003(3) -0.005(3) C44 0.040(4) 0.038(4) 0.024(3) 0.002(3) 0.006(3) 0.001(3) C45 0.048(5) 0.042(5) 0.050(5) 0.033(4) -0.016(4) -0.019(4) C46 0.037(4) 0.024(4) 0.052(5) 0.002(3) -0.002(4) -0.010(3) C47 0.054(5) 0.040(5) 0.046(5) 0.004(4) -0.007(4) 0.001(4) C48 0.039(4) 0.039(5) 0.059(5) -0.023(4) 0.002(4) 0.013(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 P2 2.3304(16) . ? Ru1 P1 2.3380(16) . ? Ru1 P3 2.3390(16) . ? Ru1 P4 2.3457(16) . ? Ru1 Cl2 2.4331(15) . ? Ru1 Cl1 2.4473(15) . ? Ru2 P5 2.3305(16) . ? Ru2 P6 2.3333(16) . ? Ru2 P7 2.3409(16) . ? Ru2 P8 2.3573(16) . ? Ru2 Cl3 2.4430(16) . ? Ru2 Cl4 2.4456(16) . ? Ru3 P11 2.3379(17) . ? Ru3 P10 2.3389(16) . ? Ru3 P9 2.3403(17) . ? Ru3 P12 2.3513(17) . ? Ru3 Cl6 2.4331(16) . ? Ru3 Cl5 2.4484(16) . ? Ru4 P13 2.3314(16) . ? Ru4 P16 2.3317(17) . ? Ru4 P14 2.3402(16) . ? Ru4 P15 2.3483(17) . ? Ru4 Cl7 2.4475(16) . ? Ru4 Cl8 2.4561(16) . ? P1 O3 1.591(4) . ? P1 O2 1.602(5) . ? P1 O1 1.613(4) . ? P2 O6 1.594(4) . ? P2 O5 1.600(4) . ? P2 O4 1.608(4) . ? P3 O7 1.589(4) . ? P3 O8 1.608(4) . ? P3 O9 1.617(4) . ? P4 O11 1.584(4) . ? P4 O12 1.607(4) . ? P4 O10 1.613(4) . ? P5 O14 1.603(4) . ? P5 O13 1.606(4) . ? P5 O15 1.612(4) . ? P6 O16 1.593(4) . ? P6 O17 1.606(4) . ? P6 O18 1.615(4) . ? P7 O19 1.603(4) . ? P7 O21 1.608(4) . ? P7 O20 1.615(4) . ? P8 O23 1.594(4) . ? P8 O22 1.611(4) . ? P8 O24 1.619(4) . ? P9 O25 1.601(4) . ? P9 O26 1.608(5) . ? P9 O27 1.610(4) . ? P10 O28 1.586(4) . ? P10 O30 1.604(4) . ? P10 O29 1.616(4) . ? P11 O32 1.576(4) . ? P11 O31 1.610(5) . ? P11 O33 1.620(4) . ? P12 O35 1.590(4) . ? P12 O34 1.609(4) . ? P12 O36 1.611(4) . ? P13 O39 1.599(4) . ? P13 O38 1.601(4) . ? P13 O37 1.605(4) . ? P14 O42 1.594(4) . ? P14 O41 1.605(4) . ? P14 O40 1.609(4) . ? P15 O43 1.601(5) . ? P15 O45 1.602(5) . ? P15 O44 1.609(5) . ? P16 O48 1.598(5) . ? P16 O47 1.603(5) . ? P16 O46 1.611(5) . ? O1 C1 1.457(8) . ? O2 C2 1.422(8) . ? O3 C3 1.438(8) . ? O4 C4 1.441(7) . ? O5 C5 1.455(8) . ? O6 C6 1.447(7) . ? O7 C7 1.454(7) . ? O8 C8 1.447(7) . ? O9 C9 1.459(8) . ? O10 C10 1.460(8) . ? O11 C11 1.458(7) . ? O12 C12 1.449(8) . ? O13 C13 1.449(7) . ? O14 C14 1.440(7) . ? O15 C15 1.439(8) . ? O16 C16 1.457(7) . ? O17 C17 1.415(8) . ? O18 C18 1.453(7) . ? O19 C19 1.445(7) . ? O20 C20 1.450(7) . ? O21 C21 1.441(8) . ? O22 C22 1.449(7) . ? O23 C23 1.448(7) . ? O24 C24 1.426(7) . ? O25 C25 1.448(7) . ? O26 C26 1.436(7) . ? O27 C27 1.452(7) . ? O28 C28 1.459(7) . ? O29 C29 1.456(7) . ? O30 C30 1.427(7) . ? O31 C31 1.404(9) . ? O32 C32 1.460(7) . ? O33 C33 1.447(8) . ? O34 C34 1.441(8) . ? O35 C35 1.460(7) . ? O36 C36 1.454(8) . ? O37 C37 1.453(7) . ? O38 C38 1.432(7) . ? O39 C39 1.444(7) . ? O40 C40 1.443(7) . ? O41 C41 1.456(8) . ? O42 C42 1.447(8) . ? O43 C43 1.447(8) . ? O44 C44 1.452(8) . ? O45 C45 1.460(8) . ? O46 C46 1.453(8) . ? O47 C47 1.412(9) . ? O48 C48 1.449(8) . ? C1 H1A 0.9800 . ? C1 H1B 0.9800 . ? C1 H1C 0.9800 . ? C2 H2A 0.9800 . ? C2 H2B 0.9800 . ? C2 H2C 0.9800 . ? C3 H3A 0.9800 . ? C3 H3B 0.9800 . ? C3 H3C 0.9800 . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C21 H21C 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C26 H26A 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 0.9800 . ? C28 H28A 0.9800 . ? C28 H28B 0.9800 . ? C28 H28C 0.9800 . ? C29 H29A 0.9800 . ? C29 H29B 0.9800 . ? C29 H29C 0.9800 . ? C30 H30A 0.9800 . ? C30 H30B 0.9800 . ? C30 H30C 0.9800 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 H36A 0.9800 . ? C36 H36B 0.9800 . ? C36 H36C 0.9800 . ? C37 H37A 0.9800 . ? C37 H37B 0.9800 . ? C37 H37C 0.9800 . ? C38 H38A 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C39 H39A 0.9800 . ? C39 H39B 0.9800 . ? C39 H39C 0.9800 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? C40 H40C 0.9800 . ? C41 H41A 0.9800 . ? C41 H41B 0.9800 . ? C41 H41C 0.9800 . ? C42 H42A 0.9800 . ? C42 H42B 0.9800 . ? C42 H42C 0.9800 . ? C43 H43A 0.9800 . ? C43 H43B 0.9800 . ? C43 H43C 0.9800 . ? C44 H44A 0.9800 . ? C44 H44B 0.9800 . ? C44 H44C 0.9800 . ? C45 H45A 0.9800 . ? C45 H45B 0.9800 . ? C45 H45C 0.9800 . ? C46 H46A 0.9800 . ? C46 H46B 0.9800 . ? C46 H46D 0.9800 . ? C47 H47A 0.9800 . ? C47 H47B 0.9800 . ? C47 H47C 0.9800 . ? C48 H48A 0.9800 . ? C48 H48B 0.9800 . ? C48 H48C 0.9800 . ? 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 P2 Ru1 P1 89.65(6) . . ? P2 Ru1 P3 90.14(6) . . ? P1 Ru1 P3 173.52(6) . . ? P2 Ru1 P4 174.66(6) . . ? P1 Ru1 P4 88.40(6) . . ? P3 Ru1 P4 92.36(6) . . ? P2 Ru1 Cl2 91.88(5) . . ? P1 Ru1 Cl2 87.36(6) . . ? P3 Ru1 Cl2 86.18(5) . . ? P4 Ru1 Cl2 93.00(5) . . ? P2 Ru1 Cl1 88.74(5) . . ? P1 Ru1 Cl1 93.97(6) . . ? P3 Ru1 Cl1 92.50(5) . . ? P4 Ru1 Cl1 86.43(5) . . ? Cl2 Ru1 Cl1 178.54(5) . . ? P5 Ru2 P6 89.71(6) . . ? P5 Ru2 P7 176.71(6) . . ? P6 Ru2 P7 88.62(6) . . ? P5 Ru2 P8 90.84(6) . . ? P6 Ru2 P8 177.00(5) . . ? P7 Ru2 P8 90.98(6) . . ? P5 Ru2 Cl3 90.11(5) . . ? P6 Ru2 Cl3 92.22(5) . . ? P7 Ru2 Cl3 87.13(5) . . ? P8 Ru2 Cl3 90.73(5) . . ? P5 Ru2 Cl4 91.15(5) . . ? P6 Ru2 Cl4 88.44(5) . . ? P7 Ru2 Cl4 91.63(5) . . ? P8 Ru2 Cl4 88.61(5) . . ? Cl3 Ru2 Cl4 178.58(5) . . ? P11 Ru3 P10 87.39(6) . . ? P11 Ru3 P9 177.20(6) . . ? P10 Ru3 P9 90.15(6) . . ? P11 Ru3 P12 91.01(6) . . ? P10 Ru3 P12 177.70(6) . . ? P9 Ru3 P12 91.49(6) . . ? P11 Ru3 Cl6 88.78(5) . . ? P10 Ru3 Cl6 92.06(5) . . ? P9 Ru3 Cl6 89.99(6) . . ? P12 Ru3 Cl6 89.56(6) . . ? P11 Ru3 Cl5 90.24(5) . . ? P10 Ru3 Cl5 88.41(5) . . ? P9 Ru3 Cl5 91.02(6) . . ? P12 Ru3 Cl5 89.94(6) . . ? Cl6 Ru3 Cl5 178.89(5) . . ? P13 Ru4 P16 88.37(6) . . ? P13 Ru4 P14 90.90(6) . . ? P16 Ru4 P14 176.02(6) . . ? P13 Ru4 P15 176.74(6) . . ? P16 Ru4 P15 90.77(7) . . ? P14 Ru4 P15 90.17(6) . . ? P13 Ru4 Cl7 90.86(5) . . ? P16 Ru4 Cl7 88.64(5) . . ? P14 Ru4 Cl7 87.46(5) . . ? P15 Ru4 Cl7 92.26(5) . . ? P13 Ru4 Cl8 89.40(5) . . ? P16 Ru4 Cl8 91.73(6) . . ? P14 Ru4 Cl8 92.18(5) . . ? P15 Ru4 Cl8 87.48(6) . . ? Cl7 Ru4 Cl8 179.55(5) . . ? O3 P1 O2 99.6(2) . . ? O3 P1 O1 103.7(2) . . ? O2 P1 O1 98.2(2) . . ? O3 P1 Ru1 109.35(16) . . ? O2 P1 Ru1 120.85(18) . . ? O1 P1 Ru1 121.80(18) . . ? O6 P2 O5 100.2(2) . . ? O6 P2 O4 103.7(2) . . ? O5 P2 O4 97.7(2) . . ? O6 P2 Ru1 109.35(16) . . ? O5 P2 Ru1 120.72(18) . . ? O4 P2 Ru1 121.97(18) . . ? O7 P3 O8 100.3(2) . . ? O7 P3 O9 103.7(2) . . ? O8 P3 O9 97.1(2) . . ? O7 P3 Ru1 109.64(16) . . ? O8 P3 Ru1 120.17(17) . . ? O9 P3 Ru1 122.65(17) . . ? O11 P4 O12 99.7(2) . . ? O11 P4 O10 103.7(2) . . ? O12 P4 O10 96.9(2) . . ? O11 P4 Ru1 109.92(17) . . ? O12 P4 Ru1 119.97(19) . . ? O10 P4 Ru1 123.15(17) . . ? O14 P5 O13 100.2(2) . . ? O14 P5 O15 97.4(2) . . ? O13 P5 O15 103.3(2) . . ? O14 P5 Ru2 120.06(18) . . ? O13 P5 Ru2 110.08(16) . . ? O15 P5 Ru2 122.45(16) . . ? O16 P6 O17 99.0(2) . . ? O16 P6 O18 103.4(2) . . ? O17 P6 O18 98.7(2) . . ? O16 P6 Ru2 110.65(16) . . ? O17 P6 Ru2 120.10(17) . . ? O18 P6 Ru2 121.60(17) . . ? O19 P7 O21 99.7(2) . . ? O19 P7 O20 103.0(2) . . ? O21 P7 O20 97.6(2) . . ? O19 P7 Ru2 110.47(16) . . ? O21 P7 Ru2 119.33(17) . . ? O20 P7 Ru2 123.23(16) . . ? O23 P8 O22 100.3(2) . . ? O23 P8 O24 103.4(2) . . ? O22 P8 O24 96.5(2) . . ? O23 P8 Ru2 109.75(16) . . ? O22 P8 Ru2 120.06(16) . . ? O24 P8 Ru2 123.44(17) . . ? O25 P9 O26 99.8(2) . . ? O25 P9 O27 103.0(2) . . ? O26 P9 O27 97.2(2) . . ? O25 P9 Ru3 110.83(17) . . ? O26 P9 Ru3 119.17(18) . . ? O27 P9 Ru3 123.28(17) . . ? O28 P10 O30 99.7(2) . . ? O28 P10 O29 103.8(2) . . ? O30 P10 O29 98.6(2) . . ? O28 P10 Ru3 110.08(16) . . ? O30 P10 Ru3 120.03(17) . . ? O29 P10 Ru3 121.50(17) . . ? O32 P11 O31 99.2(3) . . ? O32 P11 O33 103.0(2) . . ? O31 P11 O33 97.7(3) . . ? O32 P11 Ru3 110.23(17) . . ? O31 P11 Ru3 118.65(19) . . ? O33 P11 Ru3 124.35(18) . . ? O35 P12 O34 102.9(2) . . ? O35 P12 O36 100.0(2) . . ? O34 P12 O36 96.4(2) . . ? O35 P12 Ru3 110.43(17) . . ? O34 P12 Ru3 123.70(18) . . ? O36 P12 Ru3 119.79(17) . . ? O39 P13 O38 99.2(2) . . ? O39 P13 O37 103.9(2) . . ? O38 P13 O37 97.6(2) . . ? O39 P13 Ru4 110.90(16) . . ? O38 P13 Ru4 120.74(17) . . ? O37 P13 Ru4 121.19(17) . . ? O42 P14 O41 100.7(2) . . ? O42 P14 O40 103.1(2) . . ? O41 P14 O40 97.5(2) . . ? O42 P14 Ru4 109.92(18) . . ? O41 P14 Ru4 119.71(18) . . ? O40 P14 Ru4 122.68(17) . . ? O43 P15 O45 99.7(2) . . ? O43 P15 O44 98.1(3) . . ? O45 P15 O44 103.7(3) . . ? O43 P15 Ru4 119.43(18) . . ? O45 P15 Ru4 110.65(18) . . ? O44 P15 Ru4 122.01(19) . . ? O48 P16 O47 98.5(3) . . ? O48 P16 O46 102.9(3) . . ? O47 P16 O46 98.7(3) . . ? O48 P16 Ru4 110.98(18) . . ? O47 P16 Ru4 119.5(2) . . ? O46 P16 Ru4 122.6(2) . . ? C1 O1 P1 122.9(4) . . ? C2 O2 P1 123.8(4) . . ? C3 O3 P1 123.8(4) . . ? C4 O4 P2 123.1(4) . . ? C5 O5 P2 122.9(4) . . ? C6 O6 P2 123.1(4) . . ? C7 O7 P3 124.1(4) . . ? C8 O8 P3 122.5(4) . . ? C9 O9 P3 124.5(4) . . ? C10 O10 P4 122.1(4) . . ? C11 O11 P4 123.2(4) . . ? C12 O12 P4 120.8(4) . . ? C13 O13 P5 121.4(4) . . ? C14 O14 P5 124.1(4) . . ? C15 O15 P5 121.3(4) . . ? C16 O16 P6 122.4(4) . . ? C17 O17 P6 124.6(4) . . ? C18 O18 P6 121.1(3) . . ? C19 O19 P7 121.5(4) . . ? C20 O20 P7 121.2(4) . . ? C21 O21 P7 121.5(4) . . ? C22 O22 P8 122.0(4) . . ? C23 O23 P8 121.9(4) . . ? C24 O24 P8 122.5(4) . . ? C25 O25 P9 121.7(4) . . ? C26 O26 P9 123.0(4) . . ? C27 O27 P9 122.1(4) . . ? C28 O28 P10 123.5(4) . . ? C29 O29 P10 122.2(4) . . ? C30 O30 P10 126.2(4) . . ? C31 O31 P11 122.5(5) . . ? C32 O32 P11 121.9(4) . . ? C33 O33 P11 120.3(4) . . ? C34 O34 P12 120.6(4) . . ? C35 O35 P12 121.7(4) . . ? C36 O36 P12 122.4(4) . . ? C37 O37 P13 121.1(4) . . ? C38 O38 P13 124.6(4) . . ? C39 O39 P13 123.2(4) . . ? C40 O40 P14 122.3(4) . . ? C41 O41 P14 120.7(4) . . ? C42 O42 P14 122.3(4) . . ? C43 O43 P15 121.8(4) . . ? C44 O44 P15 123.6(4) . . ? C45 O45 P15 121.5(5) . . ? C46 O46 P16 119.7(4) . . ? C47 O47 P16 122.6(5) . . ? C48 O48 P16 120.9(5) . . ? O1 C1 H1A 109.5 . . ? O1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? O1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 109.5 . . ? O2 C2 H2A 109.5 . . ? O2 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? O2 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? O3 C3 H3A 109.5 . . ? O3 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? O3 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? O4 C4 H4A 109.5 . . ? O4 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? O4 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? O5 C5 H5A 109.5 . . ? O5 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? O5 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? O6 C6 H6A 109.5 . . ? O6 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? O6 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? O7 C7 H7A 109.5 . . ? O7 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? O7 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? O8 C8 H8A 109.5 . . ? O8 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? O8 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O9 C9 H9A 109.5 . . ? O9 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? O9 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? O10 C10 H10A 109.5 . . ? O10 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? O10 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? O11 C11 H11A 109.5 . . ? O11 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? O11 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? O12 C12 H12A 109.5 . . ? O12 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? O12 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? O13 C13 H13A 109.5 . . ? O13 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? O13 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? O14 C14 H14A 109.5 . . ? O14 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? O14 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? O15 C15 H15A 109.5 . . ? O15 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? O15 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? O16 C16 H16A 109.5 . . ? O16 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? O16 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? O17 C17 H17A 109.5 . . ? O17 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? O17 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? O18 C18 H18A 109.5 . . ? O18 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? O18 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? O19 C19 H19A 109.5 . . ? O19 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? O19 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? O20 C20 H20A 109.5 . . ? O20 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? O20 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? O21 C21 H21A 109.5 . . ? O21 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? O21 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? O22 C22 H22A 109.5 . . ? O22 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? O22 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? O23 C23 H23A 109.5 . . ? O23 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? O23 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? O24 C24 H24A 109.5 . . ? O24 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? O24 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? O25 C25 H25A 109.5 . . ? O25 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? O25 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? O26 C26 H26A 109.5 . . ? O26 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? O26 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? O27 C27 H27A 109.5 . . ? O27 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? O27 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? O28 C28 H28A 109.5 . . ? O28 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? O28 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? O29 C29 H29A 109.5 . . ? O29 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? O29 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? O30 C30 H30A 109.5 . . ? O30 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? O30 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? O31 C31 H31A 109.5 . . ? O31 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? O31 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? O32 C32 H32A 109.5 . . ? O32 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? O32 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? O33 C33 H33A 109.5 . . ? O33 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? O33 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? O34 C34 H34A 109.5 . . ? O34 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? O34 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? O35 C35 H35A 109.5 . . ? O35 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? O35 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? O36 C36 H36A 109.5 . . ? O36 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? O36 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? O37 C37 H37A 109.5 . . ? O37 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? O37 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? O38 C38 H38A 109.5 . . ? O38 C38 H38B 109.5 . . ? H38A C38 H38B 109.5 . . ? O38 C38 H38C 109.5 . . ? H38A C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? O39 C39 H39A 109.5 . . ? O39 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? O39 C39 H39C 109.5 . . ? H39A C39 H39C 109.5 . . ? H39B C39 H39C 109.5 . . ? O40 C40 H40A 109.5 . . ? O40 C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? O40 C40 H40C 109.5 . . ? H40A C40 H40C 109.5 . . ? H40B C40 H40C 109.5 . . ? O41 C41 H41A 109.5 . . ? O41 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? O41 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? O42 C42 H42A 109.5 . . ? O42 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? O42 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? O43 C43 H43A 109.5 . . ? O43 C43 H43B 109.5 . . ? H43A C43 H43B 109.5 . . ? O43 C43 H43C 109.5 . . ? H43A C43 H43C 109.5 . . ? H43B C43 H43C 109.5 . . ? O44 C44 H44A 109.5 . . ? O44 C44 H44B 109.5 . . ? H44A C44 H44B 109.5 . . ? O44 C44 H44C 109.5 . . ? H44A C44 H44C 109.5 . . ? H44B C44 H44C 109.5 . . ? O45 C45 H45A 109.5 . . ? O45 C45 H45B 109.5 . . ? H45A C45 H45B 109.5 . . ? O45 C45 H45C 109.5 . . ? H45A C45 H45C 109.5 . . ? H45B C45 H45C 109.5 . . ? O46 C46 H46A 109.5 . . ? O46 C46 H46B 109.5 . . ? H46A C46 H46B 109.5 . . ? O46 C46 H46D 109.5 . . ? H46A C46 H46D 109.5 . . ? H46B C46 H46D 109.5 . . ? O47 C47 H47A 109.5 . . ? O47 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? O47 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? O48 C48 H48A 109.5 . . ? O48 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? O48 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag P2 Ru1 P1 O3 -36.1(2) . . . . ? P3 Ru1 P1 O3 52.1(6) . . . . ? P4 Ru1 P1 O3 148.9(2) . . . . ? Cl2 Ru1 P1 O3 55.8(2) . . . . ? Cl1 Ru1 P1 O3 -124.8(2) . . . . ? P2 Ru1 P1 O2 78.5(2) . . . . ? P3 Ru1 P1 O2 166.7(5) . . . . ? P4 Ru1 P1 O2 -96.5(2) . . . . ? Cl2 Ru1 P1 O2 170.4(2) . . . . ? Cl1 Ru1 P1 O2 -10.2(2) . . . . ? P2 Ru1 P1 O1 -157.0(2) . . . . ? P3 Ru1 P1 O1 -68.8(6) . . . . ? P4 Ru1 P1 O1 28.0(2) . . . . ? Cl2 Ru1 P1 O1 -65.1(2) . . . . ? Cl1 Ru1 P1 O1 114.3(2) . . . . ? P1 Ru1 P2 O6 -150.17(18) . . . . ? P3 Ru1 P2 O6 36.30(18) . . . . ? P4 Ru1 P2 O6 -81.6(6) . . . . ? Cl2 Ru1 P2 O6 122.48(17) . . . . ? Cl1 Ru1 P2 O6 -56.20(17) . . . . ? P1 Ru1 P2 O5 94.5(2) . . . . ? P3 Ru1 P2 O5 -79.0(2) . . . . ? P4 Ru1 P2 O5 163.2(6) . . . . ? Cl2 Ru1 P2 O5 7.2(2) . . . . ? Cl1 Ru1 P2 O5 -171.5(2) . . . . ? P1 Ru1 P2 O4 -29.1(2) . . . . ? P3 Ru1 P2 O4 157.3(2) . . . . ? P4 Ru1 P2 O4 39.5(7) . . . . ? Cl2 Ru1 P2 O4 -116.5(2) . . . . ? Cl1 Ru1 P2 O4 64.8(2) . . . . ? P2 Ru1 P3 O7 149.51(18) . . . . ? P1 Ru1 P3 O7 61.4(6) . . . . ? P4 Ru1 P3 O7 -35.21(18) . . . . ? Cl2 Ru1 P3 O7 57.64(18) . . . . ? Cl1 Ru1 P3 O7 -121.74(18) . . . . ? P2 Ru1 P3 O8 -95.1(2) . . . . ? P1 Ru1 P3 O8 176.7(5) . . . . ? P4 Ru1 P3 O8 80.1(2) . . . . ? Cl2 Ru1 P3 O8 173.0(2) . . . . ? Cl1 Ru1 P3 O8 -6.4(2) . . . . ? P2 Ru1 P3 O9 27.6(2) . . . . ? P1 Ru1 P3 O9 -60.5(6) . . . . ? P4 Ru1 P3 O9 -157.1(2) . . . . ? Cl2 Ru1 P3 O9 -64.2(2) . . . . ? Cl1 Ru1 P3 O9 116.4(2) . . . . ? P2 Ru1 P4 O11 -26.0(7) . . . . ? P1 Ru1 P4 O11 42.63(19) . . . . ? P3 Ru1 P4 O11 -143.80(19) . . . . ? Cl2 Ru1 P4 O11 129.90(18) . . . . ? Cl1 Ru1 P4 O11 -51.44(18) . . . . ? P2 Ru1 P4 O12 -140.6(6) . . . . ? P1 Ru1 P4 O12 -72.0(2) . . . . ? P3 Ru1 P4 O12 101.6(2) . . . . ? Cl2 Ru1 P4 O12 15.3(2) . . . . ? Cl1 Ru1 P4 O12 -166.0(2) . . . . ? P2 Ru1 P4 O10 96.5(6) . . . . ? P1 Ru1 P4 O10 165.1(2) . . . . ? P3 Ru1 P4 O10 -21.3(2) . . . . ? Cl2 Ru1 P4 O10 -107.6(2) . . . . ? Cl1 Ru1 P4 O10 71.1(2) . . . . ? P6 Ru2 P5 O14 -90.9(2) . . . . ? P7 Ru2 P5 O14 -150.3(10) . . . . ? P8 Ru2 P5 O14 86.1(2) . . . . ? Cl3 Ru2 P5 O14 176.86(19) . . . . ? Cl4 Ru2 P5 O14 -2.49(19) . . . . ? P6 Ru2 P5 O13 153.61(19) . . . . ? P7 Ru2 P5 O13 94.3(10) . . . . ? P8 Ru2 P5 O13 -29.34(19) . . . . ? Cl3 Ru2 P5 O13 61.39(19) . . . . ? Cl4 Ru2 P5 O13 -117.96(19) . . . . ? P6 Ru2 P5 O15 32.1(2) . . . . ? P7 Ru2 P5 O15 -27.3(11) . . . . ? P8 Ru2 P5 O15 -150.89(19) . . . . ? Cl3 Ru2 P5 O15 -60.2(2) . . . . ? Cl4 Ru2 P5 O15 120.5(2) . . . . ? P5 Ru2 P6 O16 30.37(18) . . . . ? P7 Ru2 P6 O16 -152.45(18) . . . . ? P8 Ru2 P6 O16 -70.2(11) . . . . ? Cl3 Ru2 P6 O16 120.47(18) . . . . ? Cl4 Ru2 P6 O16 -60.79(18) . . . . ? P5 Ru2 P6 O17 -83.9(2) . . . . ? P7 Ru2 P6 O17 93.2(2) . . . . ? P8 Ru2 P6 O17 175.5(10) . . . . ? Cl3 Ru2 P6 O17 6.2(2) . . . . ? Cl4 Ru2 P6 O17 -175.1(2) . . . . ? P5 Ru2 P6 O18 151.87(18) . . . . ? P7 Ru2 P6 O18 -30.96(18) . . . . ? P8 Ru2 P6 O18 51.3(11) . . . . ? Cl3 Ru2 P6 O18 -118.03(18) . . . . ? Cl4 Ru2 P6 O18 60.70(18) . . . . ? P5 Ru2 P7 O19 19.6(10) . . . . ? P6 Ru2 P7 O19 -39.81(17) . . . . ? P8 Ru2 P7 O19 143.16(17) . . . . ? Cl3 Ru2 P7 O19 52.48(17) . . . . ? Cl4 Ru2 P7 O19 -128.21(17) . . . . ? P5 Ru2 P7 O21 134.1(10) . . . . ? P6 Ru2 P7 O21 74.8(2) . . . . ? P8 Ru2 P7 O21 -102.3(2) . . . . ? Cl3 Ru2 P7 O21 167.0(2) . . . . ? Cl4 Ru2 P7 O21 -13.6(2) . . . . ? P5 Ru2 P7 O20 -102.5(10) . . . . ? P6 Ru2 P7 O20 -161.85(19) . . . . ? P8 Ru2 P7 O20 21.12(19) . . . . ? Cl3 Ru2 P7 O20 -69.56(19) . . . . ? Cl4 Ru2 P7 O20 109.75(19) . . . . ? P5 Ru2 P8 O23 -148.78(17) . . . . ? P6 Ru2 P8 O23 -48.2(11) . . . . ? P7 Ru2 P8 O23 33.96(17) . . . . ? Cl3 Ru2 P8 O23 121.10(17) . . . . ? Cl4 Ru2 P8 O23 -57.64(17) . . . . ? P5 Ru2 P8 O22 95.95(19) . . . . ? P6 Ru2 P8 O22 -163.5(10) . . . . ? P7 Ru2 P8 O22 -81.31(19) . . . . ? Cl3 Ru2 P8 O22 5.83(19) . . . . ? Cl4 Ru2 P8 O22 -172.92(19) . . . . ? P5 Ru2 P8 O24 -26.63(19) . . . . ? P6 Ru2 P8 O24 73.9(11) . . . . ? P7 Ru2 P8 O24 156.11(19) . . . . ? Cl3 Ru2 P8 O24 -116.75(19) . . . . ? Cl4 Ru2 P8 O24 64.51(19) . . . . ? P11 Ru3 P9 O25 -126.3(12) . . . . ? P10 Ru3 P9 O25 -154.51(19) . . . . ? P12 Ru3 P9 O25 27.10(19) . . . . ? Cl6 Ru3 P9 O25 -62.46(19) . . . . ? Cl5 Ru3 P9 O25 117.07(19) . . . . ? P11 Ru3 P9 O26 118.9(12) . . . . ? P10 Ru3 P9 O26 90.7(2) . . . . ? P12 Ru3 P9 O26 -87.7(2) . . . . ? Cl6 Ru3 P9 O26 -177.3(2) . . . . ? Cl5 Ru3 P9 O26 2.2(2) . . . . ? P11 Ru3 P9 O27 -3.7(13) . . . . ? P10 Ru3 P9 O27 -32.0(2) . . . . ? P12 Ru3 P9 O27 149.7(2) . . . . ? Cl6 Ru3 P9 O27 60.1(2) . . . . ? Cl5 Ru3 P9 O27 -120.4(2) . . . . ? P11 Ru3 P10 O28 154.83(17) . . . . ? P9 Ru3 P10 O28 -26.49(18) . . . . ? P12 Ru3 P10 O28 108.8(15) . . . . ? Cl6 Ru3 P10 O28 -116.49(17) . . . . ? Cl5 Ru3 P10 O28 64.52(17) . . . . ? P11 Ru3 P10 O30 -90.43(19) . . . . ? P9 Ru3 P10 O30 88.24(19) . . . . ? P12 Ru3 P10 O30 -136.4(14) . . . . ? Cl6 Ru3 P10 O30 -1.75(19) . . . . ? Cl5 Ru3 P10 O30 179.26(19) . . . . ? P11 Ru3 P10 O29 33.33(19) . . . . ? P9 Ru3 P10 O29 -148.00(19) . . . . ? P12 Ru3 P10 O29 -12.7(15) . . . . ? Cl6 Ru3 P10 O29 122.01(19) . . . . ? Cl5 Ru3 P10 O29 -56.99(19) . . . . ? P10 Ru3 P11 O32 38.25(19) . . . . ? P9 Ru3 P11 O32 10.0(13) . . . . ? P12 Ru3 P11 O32 -143.40(19) . . . . ? Cl6 Ru3 P11 O32 -53.87(19) . . . . ? Cl5 Ru3 P11 O32 126.65(19) . . . . ? P10 Ru3 P11 O31 -75.0(2) . . . . ? P9 Ru3 P11 O31 -103.3(12) . . . . ? P12 Ru3 P11 O31 103.3(2) . . . . ? Cl6 Ru3 P11 O31 -167.1(2) . . . . ? Cl5 Ru3 P11 O31 13.4(2) . . . . ? P10 Ru3 P11 O33 161.0(2) . . . . ? P9 Ru3 P11 O33 132.7(12) . . . . ? P12 Ru3 P11 O33 -20.6(2) . . . . ? Cl6 Ru3 P11 O33 68.9(2) . . . . ? Cl5 Ru3 P11 O33 -110.6(2) . . . . ? P11 Ru3 P12 O35 -33.93(19) . . . . ? P10 Ru3 P12 O35 12.0(15) . . . . ? P9 Ru3 P12 O35 147.32(19) . . . . ? Cl6 Ru3 P12 O35 -122.70(19) . . . . ? Cl5 Ru3 P12 O35 56.30(19) . . . . ? P11 Ru3 P12 O34 -156.3(2) . . . . ? P10 Ru3 P12 O34 -110.3(15) . . . . ? P9 Ru3 P12 O34 25.0(2) . . . . ? Cl6 Ru3 P12 O34 115.0(2) . . . . ? Cl5 Ru3 P12 O34 -66.0(2) . . . . ? P11 Ru3 P12 O36 81.4(2) . . . . ? P10 Ru3 P12 O36 127.3(14) . . . . ? P9 Ru3 P12 O36 -97.4(2) . . . . ? Cl6 Ru3 P12 O36 -7.4(2) . . . . ? Cl5 Ru3 P12 O36 171.6(2) . . . . ? P16 Ru4 P13 O39 152.92(19) . . . . ? P14 Ru4 P13 O39 -31.00(19) . . . . ? P15 Ru4 P13 O39 78.2(11) . . . . ? Cl7 Ru4 P13 O39 -118.47(19) . . . . ? Cl8 Ru4 P13 O39 61.17(19) . . . . ? P16 Ru4 P13 O38 -91.8(2) . . . . ? P14 Ru4 P13 O38 84.2(2) . . . . ? P15 Ru4 P13 O38 -166.5(10) . . . . ? Cl7 Ru4 P13 O38 -3.2(2) . . . . ? Cl8 Ru4 P13 O38 176.4(2) . . . . ? P16 Ru4 P13 O37 30.85(19) . . . . ? P14 Ru4 P13 O37 -153.07(19) . . . . ? P15 Ru4 P13 O37 -43.9(11) . . . . ? Cl7 Ru4 P13 O37 119.46(19) . . . . ? Cl8 Ru4 P13 O37 -60.90(19) . . . . ? P13 Ru4 P14 O42 -146.5(2) . . . . ? P16 Ru4 P14 O42 -67.1(9) . . . . ? P15 Ru4 P14 O42 36.6(2) . . . . ? Cl7 Ru4 P14 O42 -55.70(19) . . . . ? Cl8 Ru4 P14 O42 124.04(19) . . . . ? P13 Ru4 P14 O41 97.7(2) . . . . ? P16 Ru4 P14 O41 177.2(9) . . . . ? P15 Ru4 P14 O41 -79.2(2) . . . . ? Cl7 Ru4 P14 O41 -171.4(2) . . . . ? Cl8 Ru4 P14 O41 8.3(2) . . . . ? P13 Ru4 P14 O40 -25.2(2) . . . . ? P16 Ru4 P14 O40 54.2(9) . . . . ? P15 Ru4 P14 O40 157.9(2) . . . . ? Cl7 Ru4 P14 O40 65.6(2) . . . . ? Cl8 Ru4 P14 O40 -114.6(2) . . . . ? P13 Ru4 P15 O43 154.2(10) . . . . ? P16 Ru4 P15 O43 79.5(2) . . . . ? P14 Ru4 P15 O43 -96.6(2) . . . . ? Cl7 Ru4 P15 O43 -9.1(2) . . . . ? Cl8 Ru4 P15 O43 171.2(2) . . . . ? P13 Ru4 P15 O45 39.4(11) . . . . ? P16 Ru4 P15 O45 -35.3(2) . . . . ? P14 Ru4 P15 O45 148.6(2) . . . . ? Cl7 Ru4 P15 O45 -123.9(2) . . . . ? Cl8 Ru4 P15 O45 56.4(2) . . . . ? P13 Ru4 P15 O44 -82.9(11) . . . . ? P16 Ru4 P15 O44 -157.5(2) . . . . ? P14 Ru4 P15 O44 26.3(2) . . . . ? Cl7 Ru4 P15 O44 113.8(2) . . . . ? Cl8 Ru4 P15 O44 -65.8(2) . . . . ? P13 Ru4 P16 O48 40.44(19) . . . . ? P14 Ru4 P16 O48 -39.1(9) . . . . ? P15 Ru4 P16 O48 -142.70(19) . . . . ? Cl7 Ru4 P16 O48 -50.46(19) . . . . ? Cl8 Ru4 P16 O48 129.80(19) . . . . ? P13 Ru4 P16 O47 -73.0(3) . . . . ? P14 Ru4 P16 O47 -152.5(9) . . . . ? P15 Ru4 P16 O47 103.8(3) . . . . ? Cl7 Ru4 P16 O47 -163.9(3) . . . . ? Cl8 Ru4 P16 O47 16.3(3) . . . . ? P13 Ru4 P16 O46 162.4(2) . . . . ? P14 Ru4 P16 O46 82.9(9) . . . . ? P15 Ru4 P16 O46 -20.7(2) . . . . ? Cl7 Ru4 P16 O46 71.5(2) . . . . ? Cl8 Ru4 P16 O46 -108.2(2) . . . . ? O3 P1 O1 C1 -58.0(5) . . . . ? O2 P1 O1 C1 -160.1(5) . . . . ? Ru1 P1 O1 C1 65.6(5) . . . . ? O3 P1 O2 C2 -164.7(5) . . . . ? O1 P1 O2 C2 -59.1(5) . . . . ? Ru1 P1 O2 C2 75.8(5) . . . . ? O2 P1 O3 C3 44.8(6) . . . . ? O1 P1 O3 C3 -56.2(6) . . . . ? Ru1 P1 O3 C3 172.4(5) . . . . ? O6 P2 O4 C4 71.5(5) . . . . ? O5 P2 O4 C4 174.1(5) . . . . ? Ru1 P2 O4 C4 -52.2(5) . . . . ? O6 P2 O5 C5 159.4(5) . . . . ? O4 P2 O5 C5 53.9(5) . . . . ? Ru1 P2 O5 C5 -80.7(5) . . . . ? O5 P2 O6 C6 -47.3(5) . . . . ? O4 P2 O6 C6 53.3(5) . . . . ? Ru1 P2 O6 C6 -175.2(4) . . . . ? O8 P3 O7 C7 48.8(5) . . . . ? O9 P3 O7 C7 -51.2(5) . . . . ? Ru1 P3 O7 C7 176.2(4) . . . . ? O7 P3 O8 C8 -164.7(4) . . . . ? O9 P3 O8 C8 -59.3(5) . . . . ? Ru1 P3 O8 C8 75.2(5) . . . . ? O7 P3 O9 C9 -68.0(5) . . . . ? O8 P3 O9 C9 -170.5(5) . . . . ? Ru1 P3 O9 C9 56.6(5) . . . . ? O11 P4 O10 C10 72.4(5) . . . . ? O12 P4 O10 C10 174.2(5) . . . . ? Ru1 P4 O10 C10 -52.9(5) . . . . ? O12 P4 O11 C11 -49.9(5) . . . . ? O10 P4 O11 C11 49.8(5) . . . . ? Ru1 P4 O11 C11 -176.9(4) . . . . ? O11 P4 O12 C12 162.1(5) . . . . ? O10 P4 O12 C12 56.9(5) . . . . ? Ru1 P4 O12 C12 -78.0(5) . . . . ? O14 P5 O13 C13 47.8(5) . . . . ? O15 P5 O13 C13 -52.5(5) . . . . ? Ru2 P5 O13 C13 175.2(5) . . . . ? O13 P5 O14 C14 -161.9(5) . . . . ? O15 P5 O14 C14 -56.8(5) . . . . ? Ru2 P5 O14 C14 77.6(5) . . . . ? O14 P5 O15 C15 -170.6(4) . . . . ? O13 P5 O15 C15 -68.2(5) . . . . ? Ru2 P5 O15 C15 56.5(5) . . . . ? O17 P6 O16 C16 -48.6(5) . . . . ? O18 P6 O16 C16 52.6(5) . . . . ? Ru2 P6 O16 C16 -175.7(4) . . . . ? O16 P6 O17 C17 160.3(5) . . . . ? O18 P6 O17 C17 55.1(5) . . . . ? Ru2 P6 O17 C17 -79.4(5) . . . . ? O16 P6 O18 C18 55.6(5) . . . . ? O17 P6 O18 C18 157.0(4) . . . . ? Ru2 P6 O18 C18 -69.3(4) . . . . ? O21 P7 O19 C19 52.2(5) . . . . ? O20 P7 O19 C19 -48.1(5) . . . . ? Ru2 P7 O19 C19 178.6(4) . . . . ? O19 P7 O20 C20 -64.2(4) . . . . ? O21 P7 O20 C20 -166.1(4) . . . . ? Ru2 P7 O20 C20 61.2(5) . . . . ? O19 P7 O21 C21 -163.1(5) . . . . ? O20 P7 O21 C21 -58.5(5) . . . . ? Ru2 P7 O21 C21 76.7(5) . . . . ? O23 P8 O22 C22 161.8(4) . . . . ? O24 P8 O22 C22 56.9(4) . . . . ? Ru2 P8 O22 C22 -78.1(4) . . . . ? O22 P8 O23 C23 -44.2(5) . . . . ? O24 P8 O23 C23 55.1(5) . . . . ? Ru2 P8 O23 C23 -171.5(4) . . . . ? O23 P8 O24 C24 72.8(5) . . . . ? O22 P8 O24 C24 175.0(5) . . . . ? Ru2 P8 O24 C24 -52.2(5) . . . . ? O26 P9 O25 C25 -49.7(5) . . . . ? O27 P9 O25 C25 50.1(6) . . . . ? Ru3 P9 O25 C25 -176.2(5) . . . . ? O25 P9 O26 C26 159.7(5) . . . . ? O27 P9 O26 C26 55.1(5) . . . . ? Ru3 P9 O26 C26 -79.6(5) . . . . ? O25 P9 O27 C27 74.2(5) . . . . ? O26 P9 O27 C27 176.0(4) . . . . ? Ru3 P9 O27 C27 -51.8(5) . . . . ? O30 P10 O28 C28 48.1(5) . . . . ? O29 P10 O28 C28 -53.3(5) . . . . ? Ru3 P10 O28 C28 175.2(4) . . . . ? O28 P10 O29 C29 -55.1(5) . . . . ? O30 P10 O29 C29 -157.3(4) . . . . ? Ru3 P10 O29 C29 69.4(5) . . . . ? O28 P10 O30 C30 -170.5(5) . . . . ? O29 P10 O30 C30 -64.8(5) . . . . ? Ru3 P10 O30 C30 69.4(5) . . . . ? O32 P11 O31 C31 158.0(6) . . . . ? O33 P11 O31 C31 53.5(6) . . . . ? Ru3 P11 O31 C31 -82.8(6) . . . . ? O31 P11 O32 C32 -48.5(5) . . . . ? O33 P11 O32 C32 51.7(5) . . . . ? Ru3 P11 O32 C32 -173.7(5) . . . . ? O32 P11 O33 C33 66.8(5) . . . . ? O31 P11 O33 C33 168.1(5) . . . . ? Ru3 P11 O33 C33 -59.1(5) . . . . ? O35 P12 O34 C34 -78.2(5) . . . . ? O36 P12 O34 C34 179.9(5) . . . . ? Ru3 P12 O34 C34 47.4(5) . . . . ? O34 P12 O35 C35 -52.3(5) . . . . ? O36 P12 O35 C35 46.6(5) . . . . ? Ru3 P12 O35 C35 173.8(4) . . . . ? O35 P12 O36 C36 -159.9(4) . . . . ? O34 P12 O36 C36 -55.5(5) . . . . ? Ru3 P12 O36 C36 79.5(5) . . . . ? O39 P13 O37 C37 -61.2(5) . . . . ? O38 P13 O37 C37 -162.7(4) . . . . ? Ru4 P13 O37 C37 64.2(5) . . . . ? O39 P13 O38 C38 -161.0(5) . . . . ? O37 P13 O38 C38 -55.5(5) . . . . ? Ru4 P13 O38 C38 77.9(5) . . . . ? O38 P13 O39 C39 47.4(5) . . . . ? O37 P13 O39 C39 -52.8(5) . . . . ? Ru4 P13 O39 C39 175.5(4) . . . . ? O42 P14 O40 C40 70.8(5) . . . . ? O41 P14 O40 C40 173.7(4) . . . . ? Ru4 P14 O40 C40 -53.6(5) . . . . ? O42 P14 O41 C41 161.7(5) . . . . ? O40 P14 O41 C41 56.7(5) . . . . ? Ru4 P14 O41 C41 -77.8(5) . . . . ? O41 P14 O42 C42 -51.7(6) . . . . ? O40 P14 O42 C42 48.7(6) . . . . ? Ru4 P14 O42 C42 -178.9(5) . . . . ? O45 P15 O43 C43 -165.0(5) . . . . ? O44 P15 O43 C43 -59.6(5) . . . . ? Ru4 P15 O43 C43 74.5(5) . . . . ? O43 P15 O44 C44 -170.8(5) . . . . ? O45 P15 O44 C44 -68.7(5) . . . . ? Ru4 P15 O44 C44 56.8(6) . . . . ? O43 P15 O45 C45 40.3(6) . . . . ? O44 P15 O45 C45 -60.6(6) . . . . ? Ru4 P15 O45 C45 167.0(5) . . . . ? O48 P16 O46 C46 64.5(5) . . . . ? O47 P16 O46 C46 165.4(5) . . . . ? Ru4 P16 O46 C46 -61.1(6) . . . . ? O48 P16 O47 C47 160.7(6) . . . . ? O46 P16 O47 C47 56.1(6) . . . . ? Ru4 P16 O47 C47 -79.3(6) . . . . ? O47 P16 O48 C48 -49.8(5) . . . . ? O46 P16 O48 C48 51.2(5) . . . . ? Ru4 P16 O48 C48 -176.0(5) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.649 _refine_diff_density_min -0.976 _refine_diff_density_rms 0.114