# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2014 ####################################################################### # # 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_1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C36 H74 Cl2 N0 O6 P6 Ru2' _chemical_formula_weight 1061.81 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.227(2) _cell_length_b 13.259(3) _cell_length_c 17.423(4) _cell_angle_alpha 90.00 _cell_angle_beta 100.17(3) _cell_angle_gamma 90.00 _cell_volume 2552.8(9) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.25 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.381 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1100 _exptl_absorpt_coefficient_mu 0.921 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min 0.7697 _exptl_absorpt_correction_T_max 0.8025 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker P4' _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 21875 _diffrn_reflns_av_R_equivalents 0.0445 _diffrn_reflns_av_sigmaI/netI 0.0425 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 3.07 _diffrn_reflns_theta_max 27.48 _reflns_number_total 5791 _reflns_number_gt 4934 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0195P)^2^+2.0531P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5791 _refine_ls_number_parameters 245 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0406 _refine_ls_R_factor_gt 0.0308 _refine_ls_wR_factor_ref 0.0752 _refine_ls_wR_factor_gt 0.0668 _refine_ls_goodness_of_fit_ref 1.070 _refine_ls_restrained_S_all 1.070 _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 0.744404(16) 0.300492(14) 0.778271(10) 0.02854(7) Uani 1 1 d . . . Cl1 Cl 0.59843(7) 0.18193(6) 0.70267(4) 0.05232(18) Uani 1 1 d . . . P1 P 0.88363(7) 0.22757(7) 0.70651(4) 0.04956(19) Uani 1 1 d . . . P2 P 0.68442(7) 0.43771(5) 0.68984(4) 0.04075(16) Uani 1 1 d . . . P3 P 0.59304(7) 0.33010(6) 0.85468(4) 0.04206(16) Uani 1 1 d . . . C1 C 0.8058(2) 0.18320(18) 0.85588(13) 0.0340(5) Uani 1 1 d . . . H1 H 0.7584 0.1253 0.8493 0.041 Uiso 1 1 calc R . . C2 C 0.9021(2) 0.17776(18) 0.91349(13) 0.0336(5) Uani 1 1 d . . . H2 H 0.9432 0.2379 0.9270 0.040 Uiso 1 1 calc R . . C3 C 0.9504(2) 0.08771(18) 0.95794(12) 0.0306(5) Uani 1 1 d . . . C4 C 0.8933(2) -0.00632(18) 0.94849(13) 0.0333(5) Uani 1 1 d . . . H4 H 0.8204 -0.0117 0.9138 0.040 Uiso 1 1 calc R . . C5 C 1.0599(2) 0.09162(18) 1.01171(13) 0.0328(5) Uani 1 1 d . . . C6 C 1.2384(2) 0.1886(2) 1.05957(17) 0.0474(7) Uani 1 1 d . . . H6A H 1.2874 0.1449 1.0331 0.057 Uiso 1 1 calc R . . H6B H 1.2448 0.1654 1.1129 0.057 Uiso 1 1 calc R . . C7 C 1.2827(3) 0.2955(2) 1.05864(19) 0.0572(8) Uani 1 1 d . . . H7A H 1.2258 0.3391 1.0786 0.069 Uiso 1 1 calc R . . H7B H 1.3596 0.3005 1.0939 0.069 Uiso 1 1 calc R . . C8 C 1.1946(4) 0.3775(4) 0.9432(2) 0.0900(13) Uani 1 1 d . . . H8A H 1.1395 0.3269 0.9187 0.135 Uiso 1 1 calc R . . H8B H 1.2182 0.4202 0.9040 0.135 Uiso 1 1 calc R . . H8C H 1.1556 0.4173 0.9776 0.135 Uiso 1 1 calc R . . C9 C 0.8494(2) 0.38637(19) 0.83655(14) 0.0386(6) Uani 1 1 d . . . C10 C 0.9019(5) 0.0916(3) 0.7218(2) 0.0976(16) Uani 1 1 d . . . H10A H 0.9530 0.0652 0.6878 0.146 Uiso 1 1 calc R . . H10B H 0.8242 0.0594 0.7105 0.146 Uiso 1 1 calc R . . H10C H 0.9381 0.0787 0.7750 0.146 Uiso 1 1 calc R . . C11 C 1.0382(3) 0.2747(4) 0.7254(3) 0.1128(19) Uani 1 1 d . . . H11A H 1.0665 0.2781 0.7806 0.169 Uiso 1 1 calc R . . H11B H 1.0405 0.3407 0.7032 0.169 Uiso 1 1 calc R . . H11C H 1.0892 0.2300 0.7022 0.169 Uiso 1 1 calc R . . C12 C 0.8482(4) 0.2281(3) 0.59986(18) 0.0837(13) Uani 1 1 d . . . H12A H 0.8651 0.2936 0.5808 0.126 Uiso 1 1 calc R . . H12B H 0.7642 0.2125 0.5831 0.126 Uiso 1 1 calc R . . H12C H 0.8969 0.1785 0.5797 0.126 Uiso 1 1 calc R . . C13 C 0.7930(4) 0.4857(3) 0.6333(3) 0.1030(16) Uani 1 1 d . . . H13A H 0.7957 0.4417 0.5899 0.155 Uiso 1 1 calc R . . H13B H 0.8716 0.4887 0.6656 0.155 Uiso 1 1 calc R . . H13C H 0.7692 0.5520 0.6145 0.155 Uiso 1 1 calc R . . C14 C 0.5505(4) 0.4255(3) 0.6151(2) 0.0954(15) Uani 1 1 d . . . H14A H 0.5443 0.4829 0.5810 0.143 Uiso 1 1 calc R . . H14B H 0.4800 0.4220 0.6391 0.143 Uiso 1 1 calc R . . H14C H 0.5564 0.3652 0.5855 0.143 Uiso 1 1 calc R . . C15 C 0.6584(4) 0.5555(2) 0.7381(2) 0.0681(10) Uani 1 1 d . . . H15A H 0.7216 0.5654 0.7824 0.102 Uiso 1 1 calc R . . H15B H 0.5817 0.5525 0.7552 0.102 Uiso 1 1 calc R . . H15C H 0.6583 0.6105 0.7023 0.102 Uiso 1 1 calc R . . C16 C 0.4410(3) 0.3595(3) 0.8024(2) 0.0796(12) Uani 1 1 d . . . H16A H 0.3843 0.3544 0.8376 0.119 Uiso 1 1 calc R . . H16B H 0.4191 0.3126 0.7603 0.119 Uiso 1 1 calc R . . H16C H 0.4398 0.4268 0.7820 0.119 Uiso 1 1 calc R . . C17 C 0.6187(4) 0.4273(3) 0.9290(2) 0.0859(13) Uani 1 1 d . . . H17A H 0.5590 0.4217 0.9620 0.129 Uiso 1 1 calc R . . H17B H 0.6127 0.4924 0.9046 0.129 Uiso 1 1 calc R . . H17C H 0.6979 0.4192 0.9597 0.129 Uiso 1 1 calc R . . C18 C 0.5636(3) 0.2211(3) 0.91166(19) 0.0614(9) Uani 1 1 d . . . H18A H 0.6346 0.2056 0.9492 0.092 Uiso 1 1 calc R . . H18B H 0.5431 0.1644 0.8777 0.092 Uiso 1 1 calc R . . H18C H 0.4976 0.2357 0.9382 0.092 Uiso 1 1 calc R . . O2 O 0.9137(2) 0.44177(17) 0.87436(13) 0.0662(6) Uani 1 1 d . . . O3 O 1.11556(16) 0.18482(13) 1.02124(11) 0.0453(5) Uani 1 1 d . . . O4 O 1.2975(2) 0.3308(2) 0.98602(16) 0.0798(8) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.02794(11) 0.02781(10) 0.02804(10) 0.00436(8) -0.00013(7) 0.00249(7) Cl1 0.0500(4) 0.0486(4) 0.0517(4) -0.0032(3) -0.0092(3) -0.0090(3) P1 0.0489(4) 0.0607(5) 0.0400(4) -0.0002(4) 0.0104(3) 0.0175(4) P2 0.0437(4) 0.0382(4) 0.0384(3) 0.0118(3) 0.0018(3) 0.0060(3) P3 0.0416(4) 0.0424(4) 0.0443(4) 0.0018(3) 0.0136(3) -0.0006(3) C1 0.0369(13) 0.0298(12) 0.0332(11) 0.0041(10) 0.0005(10) 0.0014(10) C2 0.0361(13) 0.0297(12) 0.0328(11) 0.0058(10) 0.0000(10) 0.0008(10) C3 0.0317(12) 0.0319(12) 0.0271(10) 0.0046(10) 0.0021(9) 0.0037(9) C4 0.0293(12) 0.0361(13) 0.0316(11) 0.0059(10) -0.0030(9) 0.0008(10) C5 0.0337(12) 0.0303(12) 0.0323(11) 0.0039(10) 0.0003(10) -0.0029(10) C6 0.0401(15) 0.0407(15) 0.0535(16) 0.0037(13) -0.0132(13) -0.0038(11) C7 0.0472(17) 0.0510(18) 0.067(2) 0.0027(16) -0.0077(15) -0.0135(14) C8 0.067(2) 0.111(3) 0.085(3) 0.029(3) -0.005(2) -0.009(2) C9 0.0401(14) 0.0337(13) 0.0389(13) 0.0114(11) -0.0015(11) 0.0018(11) C10 0.142(4) 0.079(3) 0.080(3) 0.001(2) 0.040(3) 0.063(3) C11 0.047(2) 0.182(5) 0.115(4) -0.045(4) 0.029(2) 0.005(3) C12 0.113(3) 0.102(3) 0.0396(16) -0.0031(19) 0.0220(19) 0.025(3) C13 0.118(4) 0.078(3) 0.129(4) 0.053(3) 0.066(3) 0.017(3) C14 0.108(3) 0.069(3) 0.084(3) 0.018(2) -0.053(2) 0.005(2) C15 0.089(3) 0.0400(17) 0.072(2) 0.0092(16) 0.0068(19) 0.0173(17) C16 0.0435(19) 0.107(3) 0.093(3) 0.027(2) 0.0238(18) 0.019(2) C17 0.120(4) 0.072(2) 0.080(2) -0.029(2) 0.056(2) -0.021(2) C18 0.0563(19) 0.069(2) 0.0643(19) 0.0139(17) 0.0246(16) -0.0094(16) O2 0.0658(14) 0.0523(13) 0.0706(14) 0.0007(11) -0.0153(12) -0.0216(11) O3 0.0389(10) 0.0310(9) 0.0576(11) 0.0099(8) -0.0147(9) -0.0057(7) O4 0.0558(15) 0.0829(18) 0.101(2) 0.0288(16) 0.0165(14) -0.0018(13) _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 C9 1.815(3) . ? Ru1 C1 2.096(2) . ? Ru1 P3 2.3694(9) . ? Ru1 P1 2.3732(9) . ? Ru1 P2 2.4023(8) . ? Ru1 Cl1 2.4758(9) . ? P1 C11 1.818(4) . ? P1 C10 1.829(4) . ? P1 C12 1.830(3) . ? P2 C13 1.812(4) . ? P2 C14 1.814(3) . ? P2 C15 1.821(3) . ? P3 C17 1.813(3) . ? P3 C18 1.816(3) . ? P3 C16 1.829(3) . ? C1 C2 1.341(3) . ? C1 H1 0.9300 . ? C2 C3 1.473(3) . ? C2 H2 0.9300 . ? C3 C4 1.398(3) . ? C3 C5 1.410(3) . ? C4 C5 1.381(3) 3_757 ? C4 H4 0.9300 . ? C5 O3 1.381(3) . ? C5 C4 1.381(3) 3_757 ? C6 O3 1.423(3) . ? C6 C7 1.503(4) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 O4 1.387(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 O4 1.403(4) . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 O2 1.152(3) . ? 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 . ? 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 C9 Ru1 C1 89.86(10) . . ? C9 Ru1 P3 92.35(9) . . ? C1 Ru1 P3 86.97(7) . . ? C9 Ru1 P1 97.31(9) . . ? C1 Ru1 P1 82.27(7) . . ? P3 Ru1 P1 165.49(3) . . ? C9 Ru1 P2 87.96(8) . . ? C1 Ru1 P2 177.11(7) . . ? P3 Ru1 P2 95.01(3) . . ? P1 Ru1 P2 96.13(3) . . ? C9 Ru1 Cl1 178.11(8) . . ? C1 Ru1 Cl1 89.05(7) . . ? P3 Ru1 Cl1 86.05(3) . . ? P1 Ru1 Cl1 84.07(3) . . ? P2 Ru1 Cl1 93.18(3) . . ? C11 P1 C10 103.5(3) . . ? C11 P1 C12 102.2(2) . . ? C10 P1 C12 98.63(19) . . ? C11 P1 Ru1 117.47(15) . . ? C10 P1 Ru1 113.11(14) . . ? C12 P1 Ru1 119.23(14) . . ? C13 P2 C14 101.1(2) . . ? C13 P2 C15 97.4(2) . . ? C14 P2 C15 103.19(19) . . ? C13 P2 Ru1 118.35(14) . . ? C14 P2 Ru1 119.73(14) . . ? C15 P2 Ru1 113.73(11) . . ? C17 P3 C18 101.34(17) . . ? C17 P3 C16 102.7(2) . . ? C18 P3 C16 101.39(17) . . ? C17 P3 Ru1 118.66(14) . . ? C18 P3 Ru1 113.15(12) . . ? C16 P3 Ru1 117.04(13) . . ? C2 C1 Ru1 130.74(19) . . ? C2 C1 H1 114.6 . . ? Ru1 C1 H1 114.6 . . ? C1 C2 C3 127.6(2) . . ? C1 C2 H2 116.2 . . ? C3 C2 H2 116.2 . . ? C4 C3 C5 116.1(2) . . ? C4 C3 C2 122.8(2) . . ? C5 C3 C2 121.1(2) . . ? C5 C4 C3 123.1(2) 3_757 . ? C5 C4 H4 118.5 3_757 . ? C3 C4 H4 118.5 . . ? O3 C5 C4 123.3(2) . 3_757 ? O3 C5 C3 115.8(2) . . ? C4 C5 C3 120.9(2) 3_757 . ? O3 C6 C7 108.9(2) . . ? O3 C6 H6A 109.9 . . ? C7 C6 H6A 109.9 . . ? O3 C6 H6B 109.9 . . ? C7 C6 H6B 109.9 . . ? H6A C6 H6B 108.3 . . ? O4 C7 C6 115.0(3) . . ? O4 C7 H7A 108.5 . . ? C6 C7 H7A 108.5 . . ? O4 C7 H7B 108.5 . . ? C6 C7 H7B 108.5 . . ? H7A C7 H7B 107.5 . . ? O4 C8 H8A 109.5 . . ? O4 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? O4 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O2 C9 Ru1 178.3(3) . . ? P1 C10 H10A 109.5 . . ? P1 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? P1 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? P1 C11 H11A 109.5 . . ? P1 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? P1 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? P1 C12 H12A 109.5 . . ? P1 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? P1 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? P2 C13 H13A 109.5 . . ? P2 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? P2 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? P2 C14 H14A 109.5 . . ? P2 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? P2 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? P2 C15 H15A 109.5 . . ? P2 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? P2 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? P3 C16 H16A 109.5 . . ? P3 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? P3 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? P3 C17 H17A 109.5 . . ? P3 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? P3 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? P3 C18 H18A 109.5 . . ? P3 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? P3 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C5 O3 C6 117.89(19) . . ? C7 O4 C8 114.5(3) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C9 Ru1 P1 C11 -1.5(2) . . . . ? C1 Ru1 P1 C11 -90.4(2) . . . . ? P3 Ru1 P1 C11 -132.9(2) . . . . ? P2 Ru1 P1 C11 87.2(2) . . . . ? Cl1 Ru1 P1 C11 179.8(2) . . . . ? C9 Ru1 P1 C10 118.99(19) . . . . ? C1 Ru1 P1 C10 30.13(18) . . . . ? P3 Ru1 P1 C10 -12.4(2) . . . . ? P2 Ru1 P1 C10 -152.29(17) . . . . ? Cl1 Ru1 P1 C10 -59.71(17) . . . . ? C9 Ru1 P1 C12 -125.82(19) . . . . ? C1 Ru1 P1 C12 145.32(19) . . . . ? P3 Ru1 P1 C12 102.8(2) . . . . ? P2 Ru1 P1 C12 -37.10(18) . . . . ? Cl1 Ru1 P1 C12 55.47(18) . . . . ? C9 Ru1 P2 C13 67.8(2) . . . . ? C1 Ru1 P2 C13 26.8(14) . . . . ? P3 Ru1 P2 C13 160.0(2) . . . . ? P1 Ru1 P2 C13 -29.3(2) . . . . ? Cl1 Ru1 P2 C13 -113.7(2) . . . . ? C9 Ru1 P2 C14 -168.1(2) . . . . ? C1 Ru1 P2 C14 150.9(14) . . . . ? P3 Ru1 P2 C14 -75.9(2) . . . . ? P1 Ru1 P2 C14 94.8(2) . . . . ? Cl1 Ru1 P2 C14 10.4(2) . . . . ? C9 Ru1 P2 C15 -45.54(17) . . . . ? C1 Ru1 P2 C15 -86.6(14) . . . . ? P3 Ru1 P2 C15 46.65(15) . . . . ? P1 Ru1 P2 C15 -142.68(14) . . . . ? Cl1 Ru1 P2 C15 132.95(15) . . . . ? C9 Ru1 P3 C17 6.79(18) . . . . ? C1 Ru1 P3 C17 96.52(18) . . . . ? P1 Ru1 P3 C17 138.63(19) . . . . ? P2 Ru1 P3 C17 -81.37(17) . . . . ? Cl1 Ru1 P3 C17 -174.22(17) . . . . ? C9 Ru1 P3 C18 -111.73(15) . . . . ? C1 Ru1 P3 C18 -22.00(14) . . . . ? P1 Ru1 P3 C18 20.11(18) . . . . ? P2 Ru1 P3 C18 160.11(13) . . . . ? Cl1 Ru1 P3 C18 67.26(13) . . . . ? C9 Ru1 P3 C16 130.93(18) . . . . ? C1 Ru1 P3 C16 -139.34(18) . . . . ? P1 Ru1 P3 C16 -97.23(19) . . . . ? P2 Ru1 P3 C16 42.77(16) . . . . ? Cl1 Ru1 P3 C16 -50.08(16) . . . . ? C9 Ru1 C1 C2 -11.9(3) . . . . ? P3 Ru1 C1 C2 -104.2(2) . . . . ? P1 Ru1 C1 C2 85.5(2) . . . . ? P2 Ru1 C1 C2 29.1(15) . . . . ? Cl1 Ru1 C1 C2 169.7(2) . . . . ? Ru1 C1 C2 C3 -169.76(19) . . . . ? C1 C2 C3 C4 -4.9(4) . . . . ? C1 C2 C3 C5 173.5(2) . . . . ? C5 C3 C4 C5 -0.5(4) . . . 3_757 ? C2 C3 C4 C5 178.0(2) . . . 3_757 ? C4 C3 C5 O3 -179.6(2) . . . . ? C2 C3 C5 O3 1.9(3) . . . . ? C4 C3 C5 C4 0.5(4) . . . 3_757 ? C2 C3 C5 C4 -178.0(2) . . . 3_757 ? O3 C6 C7 O4 -70.2(4) . . . . ? C1 Ru1 C9 O2 -100(8) . . . . ? P3 Ru1 C9 O2 -13(8) . . . . ? P1 Ru1 C9 O2 178(100) . . . . ? P2 Ru1 C9 O2 82(8) . . . . ? Cl1 Ru1 C9 O2 -46(10) . . . . ? C4 C5 O3 C6 14.7(4) 3_757 . . . ? C3 C5 O3 C6 -165.2(2) . . . . ? C7 C6 O3 C5 176.2(2) . . . . ? C6 C7 O4 C8 90.2(4) . . . . ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.988 _refine_diff_density_max 0.401 _refine_diff_density_min -0.373 _refine_diff_density_rms 0.068 _database_code_depnum_ccdc_archive 'CCDC 956627' ####################################################################### # # 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_1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C32 H66 Cl2 O4 P6 Ru2' _chemical_formula_weight 973.71 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)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 14.560(3) _cell_length_b 21.265(4) _cell_length_c 15.947(3) _cell_angle_alpha 90.00 _cell_angle_beta 101.77(3) _cell_angle_gamma 90.00 _cell_volume 4833.7(17) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.338 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2008 _exptl_absorpt_coefficient_mu 0.963 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.7610 _exptl_absorpt_correction_T_max 0.8307 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 41196 _diffrn_reflns_av_R_equivalents 0.0684 _diffrn_reflns_av_sigmaI/netI 0.0669 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 27.45 _reflns_number_total 10964 _reflns_number_gt 6595 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _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. ; _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^)+(0.0978P)^2^+1.8696P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0009(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 10964 _refine_ls_number_parameters 416 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1084 _refine_ls_R_factor_gt 0.0579 _refine_ls_wR_factor_ref 0.1906 _refine_ls_wR_factor_gt 0.1552 _refine_ls_goodness_of_fit_ref 1.053 _refine_ls_restrained_S_all 1.053 _refine_ls_shift/su_max 0.021 _refine_ls_shift/su_mean 0.002 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 0.27951(3) 0.64248(2) 1.06735(3) 0.04880(16) Uani 1 1 d . . . Ru2 Ru 0.23947(3) 0.39857(2) 0.40795(3) 0.04841(16) Uani 1 1 d . . . P6 P 0.08799(11) 0.44234(8) 0.36031(11) 0.0600(4) Uani 1 1 d . . . P5 P 0.25835(14) 0.35100(8) 0.27563(11) 0.0677(5) Uani 1 1 d . . . P3 P 0.43490(12) 0.60448(8) 1.10096(13) 0.0696(5) Uani 1 1 d . . . Cl2 Cl 0.30209(12) 0.50023(8) 0.36833(11) 0.0717(4) Uani 1 1 d . . . P2 P 0.28446(15) 0.69732(10) 1.19967(12) 0.0790(6) Uani 1 1 d . . . P4 P 0.39491(12) 0.37654(9) 0.48022(12) 0.0692(5) Uani 1 1 d . . . P1 P 0.12745(15) 0.67571(12) 1.00072(14) 0.0883(6) Uani 1 1 d . . . Cl1 Cl 0.34129(16) 0.73362(8) 1.00082(12) 0.0889(6) Uani 1 1 d . . . C32 C 0.1927(5) 0.3254(3) 0.4405(4) 0.0644(16) Uani 1 1 d . . . C31 C 0.2334(4) 0.5737(3) 1.1110(4) 0.0610(15) Uani 1 1 d . . . C13 C 0.2607(5) 0.5356(3) 0.7734(4) 0.0652(17) Uani 1 1 d . . . H13A H 0.2862 0.5758 0.7804 0.078 Uiso 1 1 calc R . . O2 O 0.1600(3) 0.41478(19) 0.8913(3) 0.0624(11) Uani 1 1 d . . . O3 O 0.1570(3) 0.35445(17) 0.7395(3) 0.0625(11) Uani 1 1 d . . . C10 C 0.2716(4) 0.5927(3) 0.9516(3) 0.0533(14) Uani 1 1 d . . . H10A H 0.2970 0.6137 0.9105 0.064 Uiso 1 1 calc R . . C21 C 0.2295(4) 0.4384(3) 0.5254(3) 0.0579(15) Uani 1 1 d . . . H21A H 0.2414 0.4814 0.5289 0.069 Uiso 1 1 calc R . . C17 C 0.1939(4) 0.4456(3) 0.8274(3) 0.0509(13) Uani 1 1 d . . . C15 C 0.2164(4) 0.4457(3) 0.6804(4) 0.0562(14) Uani 1 1 d . . . C16 C 0.1885(4) 0.4163(2) 0.7488(3) 0.0516(13) Uani 1 1 d . . . C14 C 0.2529(5) 0.5071(3) 0.6960(4) 0.0663(17) Uani 1 1 d . . . H14A H 0.2723 0.5286 0.6520 0.080 Uiso 1 1 calc R . . C20 C 0.2091(4) 0.4135(3) 0.5970(4) 0.0606(15) Uani 1 1 d . . . H20A H 0.1884 0.3721 0.5938 0.073 Uiso 1 1 calc R . . O4 O 0.1624(4) 0.2792(2) 0.4616(4) 0.0973(17) Uani 1 1 d . . . C12 C 0.2315(4) 0.5067(3) 0.8443(3) 0.0519(13) Uani 1 1 d . . . O1 O 0.2028(4) 0.5299(3) 1.1364(3) 0.1054(19) Uani 1 1 d . . . C11 C 0.2365(4) 0.5365(3) 0.9275(4) 0.0585(15) Uani 1 1 d . . . H11A H 0.2126 0.5137 0.9679 0.070 Uiso 1 1 calc R . . C9 C 0.4524(7) 0.5280(5) 1.1559(7) 0.142(4) Uani 1 1 d . . . H9A H 0.5178 0.5171 1.1664 0.213 Uiso 1 1 calc R . . H9B H 0.4167 0.4964 1.1205 0.213 Uiso 1 1 calc R . . H9C H 0.4320 0.5306 1.2093 0.213 Uiso 1 1 calc R . . C19 C 0.2234(6) 0.3735(3) 0.9404(5) 0.087(2) Uani 1 1 d . . . H19A H 0.1947 0.3542 0.9830 0.131 Uiso 1 1 calc R . . H19B H 0.2782 0.3962 0.9679 0.131 Uiso 1 1 calc R . . H19C H 0.2409 0.3416 0.9040 0.131 Uiso 1 1 calc R . . C8 C 0.5248(6) 0.6527(6) 1.1638(8) 0.167(6) Uani 1 1 d . . . H8A H 0.5839 0.6310 1.1721 0.251 Uiso 1 1 calc R . . H8B H 0.5094 0.6611 1.2184 0.251 Uiso 1 1 calc R . . H8C H 0.5292 0.6916 1.1344 0.251 Uiso 1 1 calc R . . C30 C 0.4109(6) 0.3005(4) 0.5354(5) 0.104(3) Uani 1 1 d . . . H30A H 0.4756 0.2955 0.5628 0.156 Uiso 1 1 calc R . . H30B H 0.3929 0.2673 0.4946 0.156 Uiso 1 1 calc R . . H30C H 0.3726 0.2989 0.5778 0.156 Uiso 1 1 calc R . . C27 C 0.0695(7) 0.5147(4) 0.4142(6) 0.121(3) Uani 1 1 d . . . H27A H 0.0072 0.5299 0.3922 0.182 Uiso 1 1 calc R . . H27B H 0.1143 0.5456 0.4045 0.182 Uiso 1 1 calc R . . H27C H 0.0773 0.5071 0.4746 0.182 Uiso 1 1 calc R . . C3 C 0.1119(6) 0.6840(5) 0.8869(5) 0.115(3) Uani 1 1 d . . . H3A H 0.0489 0.6974 0.8637 0.173 Uiso 1 1 calc R . . H3B H 0.1232 0.6443 0.8621 0.173 Uiso 1 1 calc R . . H3C H 0.1553 0.7147 0.8739 0.173 Uiso 1 1 calc R . . C29 C 0.4408(5) 0.4321(4) 0.5644(5) 0.094(2) Uani 1 1 d . . . H29A H 0.5038 0.4205 0.5909 0.141 Uiso 1 1 calc R . . H29B H 0.4022 0.4318 0.6065 0.141 Uiso 1 1 calc R . . H29C H 0.4408 0.4735 0.5405 0.141 Uiso 1 1 calc R . . C28 C 0.4891(5) 0.3763(5) 0.4211(6) 0.106(3) Uani 1 1 d . . . H28A H 0.5474 0.3666 0.4593 0.159 Uiso 1 1 calc R . . H28B H 0.4934 0.4170 0.3961 0.159 Uiso 1 1 calc R . . H28C H 0.4764 0.3452 0.3766 0.159 Uiso 1 1 calc R . . C7 C 0.4889(6) 0.5930(5) 1.0103(6) 0.120(3) Uani 1 1 d . . . H7A H 0.5516 0.5775 1.0296 0.180 Uiso 1 1 calc R . . H7B H 0.4908 0.6322 0.9811 0.180 Uiso 1 1 calc R . . H7C H 0.4531 0.5630 0.9720 0.180 Uiso 1 1 calc R . . C6 C 0.3574(9) 0.6675(5) 1.2945(5) 0.146(4) Uani 1 1 d . . . H6A H 0.3524 0.6940 1.3421 0.218 Uiso 1 1 calc R . . H6B H 0.4214 0.6667 1.2876 0.218 Uiso 1 1 calc R . . H6C H 0.3379 0.6256 1.3051 0.218 Uiso 1 1 calc R . . C26 C 0.0490(5) 0.4674(4) 0.2505(4) 0.088(2) Uani 1 1 d . . . H26A H -0.0136 0.4838 0.2428 0.133 Uiso 1 1 calc R . . H26B H 0.0498 0.4322 0.2129 0.133 Uiso 1 1 calc R . . H26C H 0.0902 0.4996 0.2375 0.133 Uiso 1 1 calc R . . C25 C -0.0083(5) 0.3947(5) 0.3778(7) 0.126(4) Uani 1 1 d . . . H25A H -0.0663 0.4163 0.3566 0.190 Uiso 1 1 calc R . . H25B H -0.0020 0.3869 0.4380 0.190 Uiso 1 1 calc R . . H25C H -0.0081 0.3554 0.3482 0.190 Uiso 1 1 calc R . . C24 C 0.3147(6) 0.2746(3) 0.2857(6) 0.100(3) Uani 1 1 d . . . H24A H 0.3192 0.2594 0.2300 0.150 Uiso 1 1 calc R . . H24B H 0.2784 0.2457 0.3118 0.150 Uiso 1 1 calc R . . H24C H 0.3765 0.2782 0.3207 0.150 Uiso 1 1 calc R . . C18 C 0.0586(6) 0.3476(4) 0.7300(7) 0.114(3) Uani 1 1 d . . . H18A H 0.0423 0.3039 0.7238 0.170 Uiso 1 1 calc R . . H18B H 0.0275 0.3701 0.6800 0.170 Uiso 1 1 calc R . . H18C H 0.0393 0.3642 0.7796 0.170 Uiso 1 1 calc R . . C23 C 0.3306(8) 0.3925(4) 0.2107(6) 0.135(4) Uani 1 1 d . . . H23A H 0.3321 0.3685 0.1600 0.202 Uiso 1 1 calc R . . H23B H 0.3933 0.3973 0.2435 0.202 Uiso 1 1 calc R . . H23C H 0.3041 0.4331 0.1949 0.202 Uiso 1 1 calc R . . C22 C 0.1561(8) 0.3301(6) 0.1974(7) 0.187(7) Uani 1 1 d . . . H22A H 0.1747 0.3119 0.1484 0.280 Uiso 1 1 calc R . . H22B H 0.1191 0.3670 0.1802 0.280 Uiso 1 1 calc R . . H22C H 0.1196 0.3002 0.2217 0.280 Uiso 1 1 calc R . . C2 C 0.0335(6) 0.6207(7) 1.0072(7) 0.157(5) Uani 1 1 d . . . H2A H -0.0254 0.6381 0.9786 0.236 Uiso 1 1 calc R . . H2B H 0.0320 0.6130 1.0662 0.236 Uiso 1 1 calc R . . H2C H 0.0444 0.5818 0.9801 0.236 Uiso 1 1 calc R . . C5 C 0.3026(14) 0.7786(4) 1.2077(7) 0.256(11) Uani 1 1 d . . . H5A H 0.3028 0.7920 1.2652 0.384 Uiso 1 1 calc R . . H5B H 0.2532 0.7997 1.1688 0.384 Uiso 1 1 calc R . . H5C H 0.3619 0.7887 1.1934 0.384 Uiso 1 1 calc R . . C4 C 0.1759(8) 0.6839(9) 1.2418(7) 0.214(8) Uani 1 1 d . . . H4A H 0.1802 0.7064 1.2947 0.320 Uiso 1 1 calc R . . H4B H 0.1691 0.6398 1.2517 0.320 Uiso 1 1 calc R . . H4C H 0.1225 0.6986 1.2009 0.320 Uiso 1 1 calc R . . C1 C 0.0739(12) 0.7429(8) 1.0308(10) 0.308(14) Uani 1 1 d . . . H1A H 0.0125 0.7472 0.9954 0.461 Uiso 1 1 calc R . . H1B H 0.1110 0.7791 1.0238 0.461 Uiso 1 1 calc R . . H1C H 0.0689 0.7394 1.0897 0.461 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 0.0522(3) 0.0518(3) 0.0450(3) -0.00347(19) 0.0161(2) 0.0007(2) Ru2 0.0498(3) 0.0483(3) 0.0465(3) -0.00243(19) 0.0084(2) 0.0010(2) P6 0.0518(9) 0.0657(10) 0.0637(9) 0.0034(8) 0.0147(7) 0.0073(7) P5 0.0816(12) 0.0669(10) 0.0542(9) -0.0062(8) 0.0132(9) 0.0173(9) P3 0.0485(9) 0.0700(11) 0.0916(13) -0.0195(9) 0.0173(9) -0.0033(8) Cl2 0.0804(11) 0.0630(9) 0.0730(10) 0.0053(8) 0.0184(8) -0.0107(8) P2 0.0930(14) 0.0879(13) 0.0586(10) -0.0195(9) 0.0212(9) 0.0150(11) P4 0.0559(10) 0.0731(11) 0.0727(11) 0.0098(9) -0.0009(8) 0.0026(8) P1 0.0708(12) 0.1101(16) 0.0796(13) 0.0030(12) 0.0048(10) 0.0294(12) Cl1 0.1310(17) 0.0580(10) 0.0839(12) -0.0009(9) 0.0365(12) -0.0261(10) C32 0.066(4) 0.062(4) 0.069(4) -0.004(3) 0.022(3) 0.003(3) C31 0.059(4) 0.082(4) 0.044(3) -0.001(3) 0.015(3) -0.014(3) C13 0.096(5) 0.046(3) 0.055(3) -0.003(3) 0.019(3) -0.020(3) O2 0.069(3) 0.064(2) 0.061(2) -0.006(2) 0.028(2) -0.010(2) O3 0.072(3) 0.048(2) 0.067(3) -0.0058(19) 0.015(2) -0.009(2) C10 0.058(3) 0.059(3) 0.046(3) -0.003(3) 0.019(3) -0.007(3) C21 0.076(4) 0.048(3) 0.049(3) -0.002(3) 0.011(3) -0.005(3) C17 0.052(3) 0.050(3) 0.054(3) 0.004(3) 0.019(3) -0.005(3) C15 0.071(4) 0.052(3) 0.049(3) -0.005(3) 0.018(3) 0.000(3) C16 0.061(4) 0.044(3) 0.051(3) -0.003(2) 0.014(3) -0.002(3) C14 0.096(5) 0.057(4) 0.051(3) -0.003(3) 0.028(3) -0.021(3) C20 0.072(4) 0.057(3) 0.053(3) -0.009(3) 0.012(3) -0.007(3) O4 0.108(4) 0.066(3) 0.126(5) 0.000(3) 0.042(4) -0.010(3) C12 0.059(3) 0.051(3) 0.049(3) -0.002(2) 0.017(3) -0.003(3) O1 0.126(5) 0.109(4) 0.085(4) 0.020(3) 0.030(3) -0.043(4) C11 0.073(4) 0.055(3) 0.051(3) -0.006(3) 0.022(3) -0.009(3) C9 0.124(8) 0.128(8) 0.182(11) 0.049(8) 0.053(7) 0.065(7) C19 0.116(7) 0.073(5) 0.076(5) 0.023(4) 0.026(5) 0.007(5) C8 0.063(5) 0.213(13) 0.222(13) -0.125(11) 0.020(7) -0.042(7) C30 0.085(5) 0.103(6) 0.109(6) 0.025(5) -0.016(5) 0.011(5) C27 0.135(8) 0.118(7) 0.104(6) -0.018(6) 0.010(6) 0.057(7) C3 0.095(6) 0.143(8) 0.097(6) 0.048(6) -0.009(5) 0.014(6) C29 0.069(5) 0.103(6) 0.096(6) -0.004(5) -0.016(4) -0.007(4) C28 0.060(5) 0.136(8) 0.122(7) -0.004(6) 0.017(5) -0.003(5) C7 0.079(6) 0.169(10) 0.127(8) -0.031(7) 0.057(5) -0.006(6) C6 0.219(13) 0.156(9) 0.054(5) -0.006(5) 0.010(6) 0.014(9) C26 0.090(5) 0.098(6) 0.074(5) 0.014(4) 0.008(4) 0.027(4) C25 0.063(5) 0.127(8) 0.194(11) 0.066(7) 0.037(6) 0.016(5) C24 0.130(7) 0.067(5) 0.106(6) -0.011(4) 0.032(5) 0.021(5) C18 0.091(6) 0.074(5) 0.174(10) -0.010(6) 0.021(6) -0.027(5) C23 0.233(13) 0.093(6) 0.104(7) 0.003(5) 0.096(8) 0.007(7) C22 0.148(9) 0.245(14) 0.132(9) -0.128(10) -0.054(7) 0.081(10) C2 0.060(5) 0.275(15) 0.131(9) 0.070(10) 0.003(5) -0.016(7) C5 0.62(3) 0.066(6) 0.100(8) -0.035(6) 0.106(14) -0.038(12) C4 0.142(11) 0.40(2) 0.114(9) -0.071(12) 0.068(8) 0.025(13) C1 0.269(18) 0.35(2) 0.235(17) -0.153(16) -0.115(14) 0.242(18) _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 C31 1.808(7) . ? Ru1 C10 2.111(5) . ? Ru1 P3 2.3589(18) . ? Ru1 P1 2.360(2) . ? Ru1 P2 2.3991(18) . ? Ru1 Cl1 2.4660(18) . ? Ru2 C32 1.817(7) . ? Ru2 C21 2.087(6) . ? Ru2 P4 2.3675(18) . ? Ru2 P6 2.3716(17) . ? Ru2 P5 2.4059(18) . ? Ru2 Cl2 2.4776(17) . ? P6 C25 1.797(8) . ? P6 C26 1.808(7) . ? P6 C27 1.810(8) . ? P5 C22 1.792(9) . ? P5 C24 1.813(7) . ? P5 C23 1.844(9) . ? P3 C7 1.797(9) . ? P3 C8 1.798(8) . ? P3 C9 1.840(9) . ? P2 C5 1.749(10) . ? P2 C6 1.778(9) . ? P2 C4 1.861(12) . ? P4 C29 1.811(7) . ? P4 C28 1.817(8) . ? P4 C30 1.833(8) . ? P1 C1 1.741(12) . ? P1 C3 1.792(8) . ? P1 C2 1.819(11) . ? C32 O4 1.155(8) . ? C31 O1 1.142(8) . ? C13 C14 1.358(8) . ? C13 C12 1.426(8) . ? C13 H13A 0.9300 . ? O2 C17 1.385(6) . ? O2 C19 1.393(8) . ? O3 C16 1.391(6) . ? O3 C18 1.417(8) . ? C10 C11 1.324(8) . ? C10 H10A 0.9300 . ? C21 C20 1.345(8) . ? C21 H21A 0.9300 . ? C17 C16 1.387(7) . ? C17 C12 1.414(7) . ? C15 C16 1.388(8) . ? C15 C14 1.412(8) . ? C15 C20 1.480(8) . ? C14 H14A 0.9300 . ? C20 H20A 0.9300 . ? C12 C11 1.459(7) . ? C11 H11A 0.9300 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C27 H27A 0.9600 . ? C27 H27B 0.9600 . ? C27 H27C 0.9600 . ? C3 H3A 0.9600 . ? C3 H3B 0.9600 . ? C3 H3C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C7 H7A 0.9600 . ? C7 H7B 0.9600 . ? C7 H7C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? C26 H26A 0.9600 . ? C26 H26B 0.9600 . ? C26 H26C 0.9600 . ? C25 H25A 0.9600 . ? C25 H25B 0.9600 . ? C25 H25C 0.9600 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C22 H22A 0.9600 . ? C22 H22B 0.9600 . ? C22 H22C 0.9600 . ? C2 H2A 0.9600 . ? C2 H2B 0.9600 . ? C2 H2C 0.9600 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C4 H4A 0.9600 . ? C4 H4B 0.9600 . ? C4 H4C 0.9600 . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 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 C31 Ru1 C10 88.4(2) . . ? C31 Ru1 P3 92.8(2) . . ? C10 Ru1 P3 84.58(16) . . ? C31 Ru1 P1 91.6(2) . . ? C10 Ru1 P1 82.97(17) . . ? P3 Ru1 P1 166.66(8) . . ? C31 Ru1 P2 90.1(2) . . ? C10 Ru1 P2 178.26(17) . . ? P3 Ru1 P2 96.40(7) . . ? P1 Ru1 P2 96.17(8) . . ? C31 Ru1 Cl1 177.14(19) . . ? C10 Ru1 Cl1 88.72(16) . . ? P3 Ru1 Cl1 87.13(8) . . ? P1 Ru1 Cl1 87.82(8) . . ? P2 Ru1 Cl1 92.76(7) . . ? C32 Ru2 C21 89.6(3) . . ? C32 Ru2 P4 93.9(2) . . ? C21 Ru2 P4 82.99(18) . . ? C32 Ru2 P6 92.8(2) . . ? C21 Ru2 P6 84.14(17) . . ? P4 Ru2 P6 165.41(7) . . ? C32 Ru2 P5 90.4(2) . . ? C21 Ru2 P5 177.27(17) . . ? P4 Ru2 P5 94.29(7) . . ? P6 Ru2 P5 98.59(7) . . ? C32 Ru2 Cl2 177.9(2) . . ? C21 Ru2 Cl2 88.38(17) . . ? P4 Ru2 Cl2 86.09(6) . . ? P6 Ru2 Cl2 86.70(6) . . ? P5 Ru2 Cl2 91.68(7) . . ? C25 P6 C26 102.5(4) . . ? C25 P6 C27 102.1(5) . . ? C26 P6 C27 99.3(4) . . ? C25 P6 Ru2 115.7(3) . . ? C26 P6 Ru2 120.9(3) . . ? C27 P6 Ru2 113.6(3) . . ? C22 P5 C24 97.8(5) . . ? C22 P5 C23 102.5(6) . . ? C24 P5 C23 100.3(4) . . ? C22 P5 Ru2 119.2(4) . . ? C24 P5 Ru2 115.4(3) . . ? C23 P5 Ru2 118.1(3) . . ? C7 P3 C8 97.9(5) . . ? C7 P3 C9 102.8(5) . . ? C8 P3 C9 103.0(6) . . ? C7 P3 Ru1 114.9(3) . . ? C8 P3 Ru1 119.1(4) . . ? C9 P3 Ru1 116.4(3) . . ? C5 P2 C6 103.6(6) . . ? C5 P2 C4 104.6(8) . . ? C6 P2 C4 92.4(6) . . ? C5 P2 Ru1 121.4(4) . . ? C6 P2 Ru1 118.7(4) . . ? C4 P2 Ru1 111.6(4) . . ? C29 P4 C28 100.5(4) . . ? C29 P4 C30 103.2(4) . . ? C28 P4 C30 102.2(4) . . ? C29 P4 Ru2 113.8(3) . . ? C28 P4 Ru2 119.7(3) . . ? C30 P4 Ru2 115.1(3) . . ? C1 P1 C3 103.1(7) . . ? C1 P1 C2 97.4(8) . . ? C3 P1 C2 100.4(5) . . ? C1 P1 Ru1 123.6(5) . . ? C3 P1 Ru1 113.5(3) . . ? C2 P1 Ru1 115.4(4) . . ? O4 C32 Ru2 179.3(6) . . ? O1 C31 Ru1 178.1(6) . . ? C14 C13 C12 123.0(6) . . ? C14 C13 H13A 118.5 . . ? C12 C13 H13A 118.5 . . ? C17 O2 C19 114.6(5) . . ? C16 O3 C18 114.4(5) . . ? C11 C10 Ru1 130.9(4) . . ? C11 C10 H10A 114.5 . . ? Ru1 C10 H10A 114.5 . . ? C20 C21 Ru2 132.1(4) . . ? C20 C21 H21A 113.9 . . ? Ru2 C21 H21A 113.9 . . ? O2 C17 C16 119.3(5) . . ? O2 C17 C12 118.5(5) . . ? C16 C17 C12 122.2(5) . . ? C16 C15 C14 115.9(5) . . ? C16 C15 C20 121.3(5) . . ? C14 C15 C20 122.8(5) . . ? C17 C16 C15 122.4(5) . . ? C17 C16 O3 118.5(5) . . ? C15 C16 O3 119.0(5) . . ? C13 C14 C15 122.1(6) . . ? C13 C14 H14A 119.0 . . ? C15 C14 H14A 119.0 . . ? C21 C20 C15 126.4(6) . . ? C21 C20 H20A 116.8 . . ? C15 C20 H20A 116.8 . . ? C17 C12 C13 114.2(5) . . ? C17 C12 C11 121.3(5) . . ? C13 C12 C11 124.5(5) . . ? C10 C11 C12 126.9(6) . . ? C10 C11 H11A 116.5 . . ? C12 C11 H11A 116.5 . . ? P3 C9 H9A 109.5 . . ? P3 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? P3 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? O2 C19 H19A 109.5 . . ? O2 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? O2 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? P3 C8 H8A 109.5 . . ? P3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? P3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? P4 C30 H30A 109.5 . . ? P4 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? P4 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? P6 C27 H27A 109.5 . . ? P6 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? P6 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? P1 C3 H3A 109.5 . . ? P1 C3 H3B 109.5 . . ? H3A C3 H3B 109.5 . . ? P1 C3 H3C 109.5 . . ? H3A C3 H3C 109.5 . . ? H3B C3 H3C 109.5 . . ? P4 C29 H29A 109.5 . . ? P4 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? P4 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? P4 C28 H28A 109.5 . . ? P4 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? P4 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? P3 C7 H7A 109.5 . . ? P3 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? P3 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? P2 C6 H6A 109.5 . . ? P2 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? P2 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? P6 C26 H26A 109.5 . . ? P6 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? P6 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? P6 C25 H25A 109.5 . . ? P6 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? P6 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? P5 C24 H24A 109.5 . . ? P5 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? P5 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? O3 C18 H18A 109.5 . . ? O3 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? O3 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? P5 C23 H23A 109.5 . . ? P5 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? P5 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? P5 C22 H22A 109.5 . . ? P5 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? P5 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? P1 C2 H2A 109.5 . . ? P1 C2 H2B 109.5 . . ? H2A C2 H2B 109.5 . . ? P1 C2 H2C 109.5 . . ? H2A C2 H2C 109.5 . . ? H2B C2 H2C 109.5 . . ? P2 C5 H5A 109.5 . . ? P2 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? P2 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? P2 C4 H4A 109.5 . . ? P2 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? P2 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? P1 C1 H1A 109.5 . . ? P1 C1 H1B 109.5 . . ? H1A C1 H1B 109.5 . . ? P1 C1 H1C 109.5 . . ? H1A C1 H1C 109.5 . . ? H1B C1 H1C 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 C32 Ru2 P6 C25 3.5(5) . . . . ? C21 Ru2 P6 C25 -85.8(5) . . . . ? P4 Ru2 P6 C25 -114.0(5) . . . . ? P5 Ru2 P6 C25 94.3(4) . . . . ? Cl2 Ru2 P6 C25 -174.5(4) . . . . ? C32 Ru2 P6 C26 -121.1(4) . . . . ? C21 Ru2 P6 C26 149.7(4) . . . . ? P4 Ru2 P6 C26 121.5(4) . . . . ? P5 Ru2 P6 C26 -30.2(3) . . . . ? Cl2 Ru2 P6 C26 61.0(3) . . . . ? C32 Ru2 P6 C27 121.1(4) . . . . ? C21 Ru2 P6 C27 31.8(4) . . . . ? P4 Ru2 P6 C27 3.6(5) . . . . ? P5 Ru2 P6 C27 -148.1(4) . . . . ? Cl2 Ru2 P6 C27 -56.9(4) . . . . ? C32 Ru2 P5 C22 68.2(6) . . . . ? C21 Ru2 P5 C22 157(4) . . . . ? P4 Ru2 P5 C22 162.2(6) . . . . ? P6 Ru2 P5 C22 -24.7(6) . . . . ? Cl2 Ru2 P5 C22 -111.6(6) . . . . ? C32 Ru2 P5 C24 -47.8(4) . . . . ? C21 Ru2 P5 C24 41(4) . . . . ? P4 Ru2 P5 C24 46.2(3) . . . . ? P6 Ru2 P5 C24 -140.7(3) . . . . ? Cl2 Ru2 P5 C24 132.4(3) . . . . ? C32 Ru2 P5 C23 -166.4(5) . . . . ? C21 Ru2 P5 C23 -77(4) . . . . ? P4 Ru2 P5 C23 -72.4(4) . . . . ? P6 Ru2 P5 C23 100.7(4) . . . . ? Cl2 Ru2 P5 C23 13.8(4) . . . . ? C31 Ru1 P3 C7 118.8(4) . . . . ? C10 Ru1 P3 C7 30.6(4) . . . . ? P1 Ru1 P3 C7 9.5(5) . . . . ? P2 Ru1 P3 C7 -150.8(4) . . . . ? Cl1 Ru1 P3 C7 -58.3(4) . . . . ? C31 Ru1 P3 C8 -125.6(5) . . . . ? C10 Ru1 P3 C8 146.2(5) . . . . ? P1 Ru1 P3 C8 125.1(6) . . . . ? P2 Ru1 P3 C8 -35.2(5) . . . . ? Cl1 Ru1 P3 C8 57.3(5) . . . . ? C31 Ru1 P3 C9 -1.3(5) . . . . ? C10 Ru1 P3 C9 -89.5(4) . . . . ? P1 Ru1 P3 C9 -110.6(5) . . . . ? P2 Ru1 P3 C9 89.1(4) . . . . ? Cl1 Ru1 P3 C9 -178.5(4) . . . . ? C31 Ru1 P2 C5 -167.6(8) . . . . ? C10 Ru1 P2 C5 -136(6) . . . . ? P3 Ru1 P2 C5 99.5(8) . . . . ? P1 Ru1 P2 C5 -76.0(8) . . . . ? Cl1 Ru1 P2 C5 12.1(8) . . . . ? C31 Ru1 P2 C6 61.9(5) . . . . ? C10 Ru1 P2 C6 93(6) . . . . ? P3 Ru1 P2 C6 -30.9(5) . . . . ? P1 Ru1 P2 C6 153.5(5) . . . . ? Cl1 Ru1 P2 C6 -118.4(5) . . . . ? C31 Ru1 P2 C4 -43.6(6) . . . . ? C10 Ru1 P2 C4 -12(6) . . . . ? P3 Ru1 P2 C4 -136.5(6) . . . . ? P1 Ru1 P2 C4 48.0(6) . . . . ? Cl1 Ru1 P2 C4 136.1(6) . . . . ? C32 Ru2 P4 C29 -117.6(4) . . . . ? C21 Ru2 P4 C29 -28.5(4) . . . . ? P6 Ru2 P4 C29 -0.2(5) . . . . ? P5 Ru2 P4 C29 151.7(3) . . . . ? Cl2 Ru2 P4 C29 60.3(3) . . . . ? C32 Ru2 P4 C28 123.6(4) . . . . ? C21 Ru2 P4 C28 -147.4(4) . . . . ? P6 Ru2 P4 C28 -119.1(4) . . . . ? P5 Ru2 P4 C28 32.9(4) . . . . ? Cl2 Ru2 P4 C28 -58.5(4) . . . . ? C32 Ru2 P4 C30 1.2(4) . . . . ? C21 Ru2 P4 C30 90.2(4) . . . . ? P6 Ru2 P4 C30 118.5(4) . . . . ? P5 Ru2 P4 C30 -89.5(3) . . . . ? Cl2 Ru2 P4 C30 179.1(4) . . . . ? C31 Ru1 P1 C1 112.6(10) . . . . ? C10 Ru1 P1 C1 -159.1(10) . . . . ? P3 Ru1 P1 C1 -138.0(10) . . . . ? P2 Ru1 P1 C1 22.4(10) . . . . ? Cl1 Ru1 P1 C1 -70.2(10) . . . . ? C31 Ru1 P1 C3 -121.5(4) . . . . ? C10 Ru1 P1 C3 -33.3(4) . . . . ? P3 Ru1 P1 C3 -12.1(6) . . . . ? P2 Ru1 P1 C3 148.2(4) . . . . ? Cl1 Ru1 P1 C3 55.7(4) . . . . ? C31 Ru1 P1 C2 -6.4(5) . . . . ? C10 Ru1 P1 C2 81.8(5) . . . . ? P3 Ru1 P1 C2 103.0(6) . . . . ? P2 Ru1 P1 C2 -96.7(5) . . . . ? Cl1 Ru1 P1 C2 170.8(5) . . . . ? C21 Ru2 C32 O4 33(71) . . . . ? P4 Ru2 C32 O4 116(71) . . . . ? P6 Ru2 C32 O4 -51(71) . . . . ? P5 Ru2 C32 O4 -149(71) . . . . ? Cl2 Ru2 C32 O4 26(75) . . . . ? C10 Ru1 C31 O1 -35(21) . . . . ? P3 Ru1 C31 O1 -120(21) . . . . ? P1 Ru1 C31 O1 48(21) . . . . ? P2 Ru1 C31 O1 144(21) . . . . ? Cl1 Ru1 C31 O1 -31(24) . . . . ? C31 Ru1 C10 C11 5.7(6) . . . . ? P3 Ru1 C10 C11 98.7(6) . . . . ? P1 Ru1 C10 C11 -86.1(6) . . . . ? P2 Ru1 C10 C11 -26(6) . . . . ? Cl1 Ru1 C10 C11 -174.1(6) . . . . ? C32 Ru2 C21 C20 8.2(7) . . . . ? P4 Ru2 C21 C20 -85.8(6) . . . . ? P6 Ru2 C21 C20 101.1(6) . . . . ? P5 Ru2 C21 C20 -81(4) . . . . ? Cl2 Ru2 C21 C20 -172.0(6) . . . . ? C19 O2 C17 C16 84.8(7) . . . . ? C19 O2 C17 C12 -96.2(7) . . . . ? O2 C17 C16 C15 176.4(5) . . . . ? C12 C17 C16 C15 -2.6(9) . . . . ? O2 C17 C16 O3 -5.8(8) . . . . ? C12 C17 C16 O3 175.3(5) . . . . ? C14 C15 C16 C17 1.6(9) . . . . ? C20 C15 C16 C17 -179.4(5) . . . . ? C14 C15 C16 O3 -176.3(5) . . . . ? C20 C15 C16 O3 2.7(9) . . . . ? C18 O3 C16 C17 76.6(7) . . . . ? C18 O3 C16 C15 -105.4(7) . . . . ? C12 C13 C14 C15 -1.0(11) . . . . ? C16 C15 C14 C13 0.2(10) . . . . ? C20 C15 C14 C13 -178.8(6) . . . . ? Ru2 C21 C20 C15 171.5(5) . . . . ? C16 C15 C20 C21 176.6(6) . . . . ? C14 C15 C20 C21 -4.5(10) . . . . ? O2 C17 C12 C13 -177.4(5) . . . . ? C16 C17 C12 C13 1.6(8) . . . . ? O2 C17 C12 C11 1.2(8) . . . . ? C16 C17 C12 C11 -179.9(5) . . . . ? C14 C13 C12 C17 0.2(10) . . . . ? C14 C13 C12 C11 -178.3(6) . . . . ? Ru1 C10 C11 C12 177.8(4) . . . . ? C17 C12 C11 C10 178.7(6) . . . . ? C13 C12 C11 C10 -3.0(10) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 27.45 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 2.022 _refine_diff_density_min -0.528 _refine_diff_density_rms 0.107 _database_code_depnum_ccdc_archive 'CCDC 956628'