# 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_d:complex13 _database_code_depnum_ccdc_archive 'CCDC 859817' #TrackingRef 'Structures_InorgChem.txt' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C26 H38 P N4 O Ru, F6 P' _chemical_formula_sum 'C26 H38 F6 N4 O P2 Ru' _chemical_formula_weight 699.61 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' F F 0.0171 0.0103 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.2116(5) _cell_length_b 11.0549(6) _cell_length_c 15.4803(8) _cell_angle_alpha 102.868(4) _cell_angle_beta 97.444(4) _cell_angle_gamma 102.792(4) _cell_volume 1471.91(14) _cell_formula_units_Z 2 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 24324 _cell_measurement_theta_min 3.19 _cell_measurement_theta_max 55.71 _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.09 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.579 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 716 _exptl_absorpt_coefficient_mu 0.707 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; A crystal was mounted at 203K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using MoK\a graphite monochromated radiation. Image plate distance 70mm, \f oscillation scans 0 - 200\%, step \D\f = 1.2\%, 3 minutes per frame. ; _diffrn_ambient_temperature 173(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 'STOE IPDS' _diffrn_measurement_method 'phi oscillation' _diffrn_detector_area_resol_mean 0.81\%A _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 26479 _diffrn_reflns_av_R_equivalents 0.0879 _diffrn_reflns_av_sigmaI/netI 0.0750 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.96 _diffrn_reflns_theta_max 29.19 _reflns_number_total 7938 _reflns_number_gt 6403 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'EXPOSE (Stoe IPDS Software, 2000)' _computing_cell_refinement 'CELL (Stoe IPDS Software, 2000)' _computing_data_reduction 'INTEGRATE (Stoe IPDS Software, 2000)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP (Farrugia, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0000P)^2^+29.4576P] 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 7938 _refine_ls_number_parameters 365 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1209 _refine_ls_R_factor_gt 0.0998 _refine_ls_wR_factor_ref 0.2491 _refine_ls_wR_factor_gt 0.2413 _refine_ls_goodness_of_fit_ref 1.217 _refine_ls_restrained_S_all 1.217 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.6754(15) -0.1213(11) 0.0010(8) 0.046(3) Uani 1 1 d . . . H1A H 0.5690 -0.1410 0.0024 0.070 Uiso 1 1 calc R . . H1B H 0.7064 -0.1997 -0.0136 0.070 Uiso 1 1 calc R . . H1C H 0.6949 -0.0754 -0.0438 0.070 Uiso 1 1 calc R . . C2 C 0.7647(13) -0.0383(10) 0.0937(7) 0.038(2) Uani 1 1 d . . . H2A H 0.7438 -0.0844 0.1391 0.046 Uiso 1 1 calc R . . H2B H 0.8724 -0.0219 0.0931 0.046 Uiso 1 1 calc R . . C3 C 0.7222(11) 0.0894(8) 0.1184(6) 0.0281(18) Uani 1 1 d . . . H3A H 0.7627 0.1426 0.0806 0.034 Uiso 1 1 calc R . . H3B H 0.6127 0.0731 0.1058 0.034 Uiso 1 1 calc R . . C4 C 0.7081(10) 0.1125(9) 0.2700(6) 0.0276(18) Uani 1 1 d . . . H4 H 0.6291 0.0391 0.2444 0.033 Uiso 1 1 calc R . . C5 C 0.7362(11) 0.1595(9) 0.3673(6) 0.0303(19) Uani 1 1 d . . . C6 C 0.6635(11) 0.0794(10) 0.4160(7) 0.035(2) Uani 1 1 d . . . H6 H 0.5999 -0.0006 0.3849 0.042 Uiso 1 1 calc R . . C7 C 0.6837(12) 0.1161(11) 0.5088(7) 0.040(2) Uani 1 1 d . . . H7 H 0.6361 0.0613 0.5403 0.048 Uiso 1 1 calc R . . C8 C 0.7772(11) 0.2371(11) 0.5544(7) 0.036(2) Uani 1 1 d . . . H8 H 0.7915 0.2628 0.6170 0.043 Uiso 1 1 calc R . . C9 C 0.8485(11) 0.3192(9) 0.5094(6) 0.0295(19) Uani 1 1 d . . . H9 H 0.9089 0.3999 0.5417 0.035 Uiso 1 1 calc R . . C10 C 0.8313(10) 0.2824(9) 0.4136(6) 0.0263(17) Uani 1 1 d . . . C11 C 1.1910(10) 0.2946(11) 0.3237(7) 0.033(2) Uani 1 1 d . . . C12 C 1.2046(10) 0.4224(10) 0.3164(6) 0.0305(19) Uani 1 1 d . . . H12 H 1.2351 0.4897 0.3686 0.037 Uiso 1 1 calc R . . C13 C 1.1728(9) 0.4500(9) 0.2321(6) 0.0263(17) Uani 1 1 d . . . H13 H 1.1856 0.5349 0.2293 0.032 Uiso 1 1 calc R . . C14 C 1.1224(10) 0.3506(9) 0.1529(6) 0.0270(18) Uani 1 1 d . . . C15 C 1.0996(11) 0.2234(9) 0.1596(7) 0.0310(19) Uani 1 1 d . . . H15 H 1.0598 0.1568 0.1076 0.037 Uiso 1 1 calc R . . C16 C 1.1346(11) 0.1930(9) 0.2415(7) 0.0301(19) Uani 1 1 d . . . H16 H 1.1216 0.1076 0.2430 0.036 Uiso 1 1 calc R . . C17 C 1.2262(14) 0.2730(15) 0.4169(8) 0.053(3) Uani 1 1 d . . . H17 H 1.1930 0.3364 0.4595 0.063 Uiso 1 1 calc R . . C18 C 1.1495(19) 0.1408(16) 0.4252(10) 0.070(5) Uani 1 1 d . . . H18A H 1.0427 0.1215 0.4025 0.106 Uiso 1 1 calc R . . H18B H 1.1661 0.1393 0.4874 0.106 Uiso 1 1 calc R . . H18C H 1.1912 0.0778 0.3908 0.106 Uiso 1 1 calc R . . C19 C 1.3985(17) 0.2999(19) 0.4434(11) 0.076(5) Uani 1 1 d . . . H19A H 1.4348 0.2430 0.4000 0.114 Uiso 1 1 calc R . . H19B H 1.4238 0.2862 0.5020 0.114 Uiso 1 1 calc R . . H19C H 1.4448 0.3873 0.4448 0.114 Uiso 1 1 calc R . . C20 C 1.0949(12) 0.3783(11) 0.0613(7) 0.037(2) Uani 1 1 d . . . H20A H 1.0773 0.4621 0.0686 0.055 Uiso 1 1 calc R . . H20B H 1.0079 0.3151 0.0235 0.055 Uiso 1 1 calc R . . H20C H 1.1822 0.3754 0.0338 0.055 Uiso 1 1 calc R . . C21 C 0.8308(12) 0.5905(9) 0.3052(8) 0.041(2) Uani 1 1 d . . . H21A H 0.8240 0.5717 0.3631 0.049 Uiso 1 1 calc R . . H21B H 0.9307 0.6460 0.3102 0.049 Uiso 1 1 calc R . . C22 C 0.6020(10) 0.3710(9) 0.2128(8) 0.034(2) Uani 1 1 d . . . H22A H 0.5655 0.2957 0.1619 0.040 Uiso 1 1 calc R . . H22B H 0.5876 0.3439 0.2672 0.040 Uiso 1 1 calc R . . C23 C 0.7928(12) 0.5037(12) 0.1197(8) 0.040(2) Uani 1 1 d . . . H23A H 0.8916 0.5558 0.1181 0.048 Uiso 1 1 calc R . . H23B H 0.7625 0.4329 0.0657 0.048 Uiso 1 1 calc R . . C24 C 0.5620(11) 0.5781(10) 0.2791(8) 0.040(2) Uani 1 1 d . . . H24A H 0.5597 0.5514 0.3346 0.048 Uiso 1 1 calc R . . H24B H 0.4900 0.6297 0.2753 0.048 Uiso 1 1 calc R . . C25 C 0.7216(13) 0.6923(11) 0.2003(10) 0.053(3) Uani 1 1 d . . . H25A H 0.8236 0.7424 0.2029 0.064 Uiso 1 1 calc R . . H25B H 0.6537 0.7468 0.1937 0.064 Uiso 1 1 calc R . . C26 C 0.5289(13) 0.5058(12) 0.1194(8) 0.045(3) Uani 1 1 d . . . H26A H 0.5028 0.4305 0.0686 0.054 Uiso 1 1 calc R . . H26B H 0.4567 0.5558 0.1104 0.054 Uiso 1 1 calc R . . F1 F 0.3721(12) 0.8003(10) 0.2380(8) 0.096(3) Uani 1 1 d . . . F2 F 0.3334(15) 0.9835(11) 0.2143(14) 0.183(9) Uani 1 1 d . . . F3 F 0.1388(11) 0.8822(9) 0.1080(7) 0.090(3) Uani 1 1 d . . . F4 F 0.1812(19) 0.6994(10) 0.1305(13) 0.188(10) Uani 1 1 d . . . F5 F 0.369(2) 0.844(2) 0.1110(12) 0.202(10) Uani 1 1 d . . . F6 F 0.153(2) 0.848(2) 0.2391(12) 0.202(10) Uani 1 1 d . . . N1 N 0.7805(8) 0.1613(7) 0.2154(5) 0.0266(15) Uani 1 1 d . . . N2 N 0.7148(11) 0.6583(8) 0.2835(7) 0.044(2) Uani 1 1 d . . . N3 N 0.5132(9) 0.4635(8) 0.2028(6) 0.0337(18) Uani 1 1 d . . . N4 N 0.6813(10) 0.5830(11) 0.1202(7) 0.046(3) Uani 1 1 d . . . O1 O 0.9039(7) 0.3660(6) 0.3753(4) 0.0278(13) Uani 1 1 d . . . P1 P 0.8066(2) 0.4402(2) 0.21891(16) 0.0237(4) Uani 1 1 d . . . P2 P 0.2571(3) 0.8407(3) 0.17139(19) 0.0352(6) Uani 1 1 d . . . Ru1 Ru 0.97012(8) 0.31748(7) 0.25192(5) 0.01883(16) 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 C1 0.061(7) 0.032(5) 0.045(6) 0.002(5) 0.016(6) 0.013(5) C2 0.048(6) 0.027(5) 0.043(6) 0.012(4) 0.010(5) 0.012(4) C3 0.038(5) 0.022(4) 0.024(4) 0.007(3) 0.004(4) 0.008(4) C4 0.026(4) 0.026(4) 0.029(4) 0.010(3) 0.003(3) 0.004(3) C5 0.029(4) 0.033(5) 0.029(4) 0.014(4) 0.006(4) 0.002(4) C6 0.032(5) 0.035(5) 0.040(5) 0.020(4) 0.009(4) 0.000(4) C7 0.035(5) 0.051(6) 0.039(6) 0.026(5) 0.012(4) 0.006(5) C8 0.033(5) 0.047(6) 0.029(5) 0.018(4) 0.008(4) 0.007(4) C9 0.029(4) 0.034(5) 0.024(4) 0.008(4) 0.006(3) 0.004(4) C10 0.024(4) 0.033(5) 0.028(4) 0.016(4) 0.009(3) 0.010(3) C11 0.023(4) 0.051(6) 0.035(5) 0.016(4) 0.010(4) 0.020(4) C12 0.019(4) 0.039(5) 0.030(5) 0.002(4) -0.001(3) 0.010(4) C13 0.017(4) 0.024(4) 0.036(5) 0.007(3) 0.008(3) 0.002(3) C14 0.021(4) 0.031(5) 0.030(4) 0.008(4) 0.009(3) 0.006(3) C15 0.029(5) 0.034(5) 0.036(5) 0.010(4) 0.017(4) 0.012(4) C16 0.037(5) 0.033(5) 0.037(5) 0.021(4) 0.020(4) 0.023(4) C17 0.053(7) 0.091(10) 0.039(6) 0.036(6) 0.015(5) 0.046(7) C18 0.089(11) 0.098(12) 0.066(9) 0.059(9) 0.038(8) 0.057(10) C19 0.063(9) 0.118(15) 0.059(9) 0.032(9) -0.003(7) 0.047(10) C20 0.035(5) 0.048(6) 0.036(5) 0.023(5) 0.012(4) 0.011(4) C21 0.036(5) 0.022(5) 0.061(7) 0.009(4) -0.003(5) 0.010(4) C22 0.024(4) 0.029(5) 0.050(6) 0.015(4) 0.007(4) 0.008(4) C23 0.037(5) 0.057(7) 0.045(6) 0.034(5) 0.020(5) 0.023(5) C24 0.027(5) 0.042(6) 0.063(7) 0.021(5) 0.014(5) 0.020(4) C25 0.032(6) 0.037(6) 0.100(11) 0.036(7) 0.011(6) 0.013(5) C26 0.036(6) 0.058(7) 0.050(7) 0.024(6) 0.003(5) 0.024(5) F1 0.088(7) 0.092(7) 0.108(8) 0.033(6) -0.027(6) 0.039(6) F2 0.095(9) 0.055(7) 0.34(2) 0.005(10) -0.097(12) 0.019(6) F3 0.087(7) 0.060(5) 0.107(8) 0.027(5) -0.040(6) 0.014(5) F4 0.195(15) 0.045(6) 0.246(19) 0.024(8) -0.145(14) -0.006(8) F5 0.24(2) 0.33(3) 0.177(16) 0.166(18) 0.164(16) 0.18(2) F6 0.145(14) 0.40(3) 0.136(13) 0.139(18) 0.088(12) 0.112(18) N1 0.025(4) 0.025(4) 0.030(4) 0.009(3) 0.004(3) 0.006(3) N2 0.043(5) 0.023(4) 0.061(6) 0.005(4) -0.005(4) 0.016(4) N3 0.025(4) 0.034(4) 0.043(5) 0.009(4) 0.003(3) 0.013(3) N4 0.032(5) 0.066(7) 0.066(7) 0.048(6) 0.020(4) 0.028(4) O1 0.035(3) 0.025(3) 0.028(3) 0.011(2) 0.015(3) 0.008(3) P1 0.0199(10) 0.0264(11) 0.0289(11) 0.0141(9) 0.0058(8) 0.0071(8) P2 0.0332(13) 0.0336(13) 0.0403(14) 0.0135(11) 0.0061(11) 0.0081(10) Ru1 0.0179(3) 0.0204(3) 0.0209(3) 0.0090(2) 0.0059(2) 0.0058(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.534(16) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 C3 1.528(13) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 N1 1.499(11) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 N1 1.280(11) . ? C4 C5 1.448(13) . ? C4 H4 0.9300 . ? C5 C6 1.403(12) . ? C5 C10 1.416(13) . ? C6 C7 1.379(15) . ? C6 H6 0.9300 . ? C7 C8 1.393(15) . ? C7 H7 0.9300 . ? C8 C9 1.369(13) . ? C8 H8 0.9300 . ? C9 C10 1.425(12) . ? C9 H9 0.9300 . ? C10 O1 1.314(10) . ? C11 C12 1.420(14) . ? C11 C16 1.444(15) . ? C11 C17 1.521(14) . ? C11 Ru1 2.281(9) . ? C12 C13 1.415(13) . ? C12 Ru1 2.196(9) . ? C12 H12 0.9300 . ? C13 C14 1.397(13) . ? C13 Ru1 2.206(8) . ? C13 H13 0.9300 . ? C14 C15 1.405(13) . ? C14 C20 1.519(13) . ? C14 Ru1 2.243(8) . ? C15 C16 1.398(13) . ? C15 Ru1 2.208(9) . ? C15 H15 0.9300 . ? C16 Ru1 2.259(9) . ? C16 H16 0.9300 . ? C17 C18 1.52(2) . ? C17 C19 1.531(19) . ? C17 H17 0.9800 . ? 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 N2 1.481(13) . ? C21 P1 1.835(11) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 N3 1.465(12) . ? C22 P1 1.852(9) . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 N4 1.489(13) . ? C23 P1 1.827(10) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 N3 1.464(14) . ? C24 N2 1.473(14) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 N2 1.424(17) . ? C25 N4 1.467(18) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 N4 1.470(14) . ? C26 N3 1.481(14) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? F1 P2 1.586(9) . ? F2 P2 1.532(11) . ? F3 P2 1.582(9) . ? F4 P2 1.514(11) . ? F5 P2 1.481(13) . ? F6 P2 1.511(14) . ? N1 Ru1 2.080(7) . ? O1 Ru1 2.074(6) . ? P1 Ru1 2.320(2) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag 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 . . ? C3 C2 C1 111.2(9) . . ? C3 C2 H2A 109.4 . . ? C1 C2 H2A 109.4 . . ? C3 C2 H2B 109.4 . . ? C1 C2 H2B 109.4 . . ? H2A C2 H2B 108.0 . . ? N1 C3 C2 113.0(8) . . ? N1 C3 H3A 109.0 . . ? C2 C3 H3A 109.0 . . ? N1 C3 H3B 109.0 . . ? C2 C3 H3B 109.0 . . ? H3A C3 H3B 107.8 . . ? N1 C4 C5 126.8(8) . . ? N1 C4 H4 116.6 . . ? C5 C4 H4 116.6 . . ? C6 C5 C10 119.8(9) . . ? C6 C5 C4 117.7(9) . . ? C10 C5 C4 122.5(8) . . ? C7 C6 C5 121.8(10) . . ? C7 C6 H6 119.1 . . ? C5 C6 H6 119.1 . . ? C6 C7 C8 118.4(9) . . ? C6 C7 H7 120.8 . . ? C8 C7 H7 120.8 . . ? C9 C8 C7 121.7(9) . . ? C9 C8 H8 119.1 . . ? C7 C8 H8 119.1 . . ? C8 C9 C10 120.8(9) . . ? C8 C9 H9 119.6 . . ? C10 C9 H9 119.6 . . ? O1 C10 C5 125.2(8) . . ? O1 C10 C9 117.2(8) . . ? C5 C10 C9 117.5(8) . . ? C12 C11 C16 117.0(8) . . ? C12 C11 C17 118.5(10) . . ? C16 C11 C17 124.3(10) . . ? C12 C11 Ru1 68.3(5) . . ? C16 C11 Ru1 70.6(5) . . ? C17 C11 Ru1 128.5(7) . . ? C13 C12 C11 121.8(9) . . ? C13 C12 Ru1 71.6(5) . . ? C11 C12 Ru1 74.8(5) . . ? C13 C12 H12 119.1 . . ? C11 C12 H12 119.1 . . ? Ru1 C12 H12 126.4 . . ? C14 C13 C12 120.3(9) . . ? C14 C13 Ru1 73.1(5) . . ? C12 C13 Ru1 70.9(5) . . ? C14 C13 H13 119.8 . . ? C12 C13 H13 119.8 . . ? Ru1 C13 H13 128.4 . . ? C13 C14 C15 118.5(9) . . ? C13 C14 C20 121.2(9) . . ? C15 C14 C20 120.3(9) . . ? C13 C14 Ru1 70.3(5) . . ? C15 C14 Ru1 70.3(5) . . ? C20 C14 Ru1 132.1(6) . . ? C16 C15 C14 122.5(9) . . ? C16 C15 Ru1 73.8(5) . . ? C14 C15 Ru1 72.9(5) . . ? C16 C15 H15 118.7 . . ? C14 C15 H15 118.7 . . ? Ru1 C15 H15 126.6 . . ? C15 C16 C11 119.7(9) . . ? C15 C16 Ru1 69.8(5) . . ? C11 C16 Ru1 72.3(5) . . ? C15 C16 H16 120.2 . . ? C11 C16 H16 120.2 . . ? Ru1 C16 H16 130.3 . . ? C18 C17 C11 115.0(12) . . ? C18 C17 C19 110.3(11) . . ? C11 C17 C19 107.7(10) . . ? C18 C17 H17 107.8 . . ? C11 C17 H17 107.8 . . ? C19 C17 H17 107.8 . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C17 C19 H19A 109.5 . . ? C17 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C17 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C14 C20 H20A 109.5 . . ? C14 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C14 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? N2 C21 P1 111.9(7) . . ? N2 C21 H21A 109.2 . . ? P1 C21 H21A 109.2 . . ? N2 C21 H21B 109.2 . . ? P1 C21 H21B 109.2 . . ? H21A C21 H21B 107.9 . . ? N3 C22 P1 111.9(6) . . ? N3 C22 H22A 109.2 . . ? P1 C22 H22A 109.2 . . ? N3 C22 H22B 109.2 . . ? P1 C22 H22B 109.2 . . ? H22A C22 H22B 107.9 . . ? N4 C23 P1 111.9(7) . . ? N4 C23 H23A 109.2 . . ? P1 C23 H23A 109.2 . . ? N4 C23 H23B 109.2 . . ? P1 C23 H23B 109.2 . . ? H23A C23 H23B 107.9 . . ? N3 C24 N2 114.1(9) . . ? N3 C24 H24A 108.7 . . ? N2 C24 H24A 108.7 . . ? N3 C24 H24B 108.7 . . ? N2 C24 H24B 108.7 . . ? H24A C24 H24B 107.6 . . ? N2 C25 N4 114.7(9) . . ? N2 C25 H25A 108.6 . . ? N4 C25 H25A 108.6 . . ? N2 C25 H25B 108.6 . . ? N4 C25 H25B 108.6 . . ? H25A C25 H25B 107.6 . . ? N4 C26 N3 114.2(9) . . ? N4 C26 H26A 108.7 . . ? N3 C26 H26A 108.7 . . ? N4 C26 H26B 108.7 . . ? N3 C26 H26B 108.7 . . ? H26A C26 H26B 107.6 . . ? C4 N1 C3 113.5(8) . . ? C4 N1 Ru1 125.8(7) . . ? C3 N1 Ru1 120.6(6) . . ? C25 N2 C24 109.1(9) . . ? C25 N2 C21 112.1(10) . . ? C24 N2 C21 110.4(8) . . ? C24 N3 C22 111.4(8) . . ? C24 N3 C26 107.7(9) . . ? C22 N3 C26 111.3(8) . . ? C25 N4 C26 107.7(9) . . ? C25 N4 C23 111.8(9) . . ? C26 N4 C23 110.7(9) . . ? C10 O1 Ru1 124.2(6) . . ? C23 P1 C21 98.1(5) . . ? C23 P1 C22 98.6(5) . . ? C21 P1 C22 98.4(5) . . ? C23 P1 Ru1 125.1(3) . . ? C21 P1 Ru1 114.8(3) . . ? C22 P1 Ru1 117.1(3) . . ? F5 P2 F6 174.8(14) . . ? F5 P2 F4 93.6(13) . . ? F6 P2 F4 91.1(13) . . ? F5 P2 F2 87.3(13) . . ? F6 P2 F2 88.1(13) . . ? F4 P2 F2 179.0(13) . . ? F5 P2 F3 94.6(8) . . ? F6 P2 F3 87.4(8) . . ? F4 P2 F3 92.2(6) . . ? F2 P2 F3 88.2(6) . . ? F5 P2 F1 87.5(8) . . ? F6 P2 F1 90.3(8) . . ? F4 P2 F1 88.2(6) . . ? F2 P2 F1 91.4(7) . . ? F3 P2 F1 177.7(7) . . ? O1 Ru1 N1 87.0(3) . . ? O1 Ru1 C12 89.4(3) . . ? N1 Ru1 C12 155.3(3) . . ? O1 Ru1 C13 116.4(3) . . ? N1 Ru1 C13 156.4(3) . . ? C12 Ru1 C13 37.5(3) . . ? O1 Ru1 C15 153.4(3) . . ? N1 Ru1 C15 94.3(3) . . ? C12 Ru1 C15 78.3(4) . . ? C13 Ru1 C15 66.1(3) . . ? O1 Ru1 C14 153.0(3) . . ? N1 Ru1 C14 119.9(3) . . ? C12 Ru1 C14 66.7(3) . . ? C13 Ru1 C14 36.6(3) . . ? C15 Ru1 C14 36.8(3) . . ? O1 Ru1 C16 116.9(3) . . ? N1 Ru1 C16 93.6(3) . . ? C12 Ru1 C16 66.5(4) . . ? C13 Ru1 C16 78.5(3) . . ? C15 Ru1 C16 36.4(3) . . ? C14 Ru1 C16 66.2(3) . . ? O1 Ru1 C11 89.7(3) . . ? N1 Ru1 C11 118.6(3) . . ? C12 Ru1 C11 36.9(4) . . ? C13 Ru1 C11 67.0(4) . . ? C15 Ru1 C11 66.4(4) . . ? C14 Ru1 C11 78.7(3) . . ? C16 Ru1 C11 37.1(4) . . ? O1 Ru1 P1 79.83(19) . . ? N1 Ru1 P1 86.7(2) . . ? C12 Ru1 P1 116.6(3) . . ? C13 Ru1 P1 94.7(2) . . ? C15 Ru1 P1 126.8(3) . . ? C14 Ru1 P1 99.2(2) . . ? C16 Ru1 P1 163.2(2) . . ? C11 Ru1 P1 152.2(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 C1 C2 C3 N1 167.7(8) . . . . ? N1 C4 C5 C6 -168.3(10) . . . . ? N1 C4 C5 C10 12.8(16) . . . . ? C10 C5 C6 C7 -1.1(16) . . . . ? C4 C5 C6 C7 179.9(10) . . . . ? C5 C6 C7 C8 1.1(17) . . . . ? C6 C7 C8 C9 -0.1(17) . . . . ? C7 C8 C9 C10 -1.0(16) . . . . ? C6 C5 C10 O1 -179.2(9) . . . . ? C4 C5 C10 O1 -0.3(15) . . . . ? C6 C5 C10 C9 0.0(14) . . . . ? C4 C5 C10 C9 178.9(9) . . . . ? C8 C9 C10 O1 -179.7(9) . . . . ? C8 C9 C10 C5 1.1(14) . . . . ? C16 C11 C12 C13 -3.6(13) . . . . ? C17 C11 C12 C13 -179.6(9) . . . . ? Ru1 C11 C12 C13 -56.4(7) . . . . ? C16 C11 C12 Ru1 52.9(7) . . . . ? C17 C11 C12 Ru1 -123.2(8) . . . . ? C11 C12 C13 C14 1.9(13) . . . . ? Ru1 C12 C13 C14 -56.0(7) . . . . ? C11 C12 C13 Ru1 57.9(8) . . . . ? C12 C13 C14 C15 2.0(12) . . . . ? Ru1 C13 C14 C15 -53.0(7) . . . . ? C12 C13 C14 C20 -177.0(8) . . . . ? Ru1 C13 C14 C20 128.0(8) . . . . ? C12 C13 C14 Ru1 54.9(7) . . . . ? C13 C14 C15 C16 -4.1(13) . . . . ? C20 C14 C15 C16 174.8(8) . . . . ? Ru1 C14 C15 C16 -57.1(8) . . . . ? C13 C14 C15 Ru1 53.0(7) . . . . ? C20 C14 C15 Ru1 -128.0(8) . . . . ? C14 C15 C16 C11 2.4(14) . . . . ? Ru1 C15 C16 C11 -54.3(8) . . . . ? C14 C15 C16 Ru1 56.7(8) . . . . ? C12 C11 C16 C15 1.4(13) . . . . ? C17 C11 C16 C15 177.2(9) . . . . ? Ru1 C11 C16 C15 53.2(8) . . . . ? C12 C11 C16 Ru1 -51.7(7) . . . . ? C17 C11 C16 Ru1 124.0(9) . . . . ? C12 C11 C17 C18 155.3(10) . . . . ? C16 C11 C17 C18 -20.4(15) . . . . ? Ru1 C11 C17 C18 71.4(14) . . . . ? C12 C11 C17 C19 -81.2(13) . . . . ? C16 C11 C17 C19 103.1(14) . . . . ? Ru1 C11 C17 C19 -165.1(10) . . . . ? C5 C4 N1 C3 -179.7(9) . . . . ? C5 C4 N1 Ru1 4.0(14) . . . . ? C2 C3 N1 C4 -73.6(11) . . . . ? C2 C3 N1 Ru1 102.8(8) . . . . ? N4 C25 N2 C24 -56.2(12) . . . . ? N4 C25 N2 C21 66.4(12) . . . . ? N3 C24 N2 C25 55.4(11) . . . . ? N3 C24 N2 C21 -68.2(12) . . . . ? P1 C21 N2 C25 -60.7(11) . . . . ? P1 C21 N2 C24 61.2(11) . . . . ? N2 C24 N3 C22 68.1(11) . . . . ? N2 C24 N3 C26 -54.2(11) . . . . ? P1 C22 N3 C24 -60.1(10) . . . . ? P1 C22 N3 C26 60.1(10) . . . . ? N4 C26 N3 C24 55.0(11) . . . . ? N4 C26 N3 C22 -67.3(12) . . . . ? N2 C25 N4 C26 56.2(12) . . . . ? N2 C25 N4 C23 -65.7(12) . . . . ? N3 C26 N4 C25 -55.4(12) . . . . ? N3 C26 N4 C23 67.2(13) . . . . ? P1 C23 N4 C25 59.2(11) . . . . ? P1 C23 N4 C26 -60.9(12) . . . . ? C5 C10 O1 Ru1 -26.5(12) . . . . ? C9 C10 O1 Ru1 154.3(7) . . . . ? N4 C23 P1 C21 -49.5(9) . . . . ? N4 C23 P1 C22 50.3(9) . . . . ? N4 C23 P1 Ru1 -177.7(6) . . . . ? N2 C21 P1 C23 49.9(9) . . . . ? N2 C21 P1 C22 -50.1(9) . . . . ? N2 C21 P1 Ru1 -175.2(7) . . . . ? N3 C22 P1 C23 -50.2(9) . . . . ? N3 C22 P1 C21 49.4(8) . . . . ? N3 C22 P1 Ru1 172.9(6) . . . . ? C10 O1 Ru1 N1 31.0(7) . . . . ? C10 O1 Ru1 C12 -124.5(7) . . . . ? C10 O1 Ru1 C13 -151.6(7) . . . . ? C10 O1 Ru1 C15 -62.6(10) . . . . ? C10 O1 Ru1 C14 -151.4(7) . . . . ? C10 O1 Ru1 C16 -61.5(8) . . . . ? C10 O1 Ru1 C11 -87.6(7) . . . . ? C10 O1 Ru1 P1 118.2(7) . . . . ? C4 N1 Ru1 O1 -20.4(8) . . . . ? C3 N1 Ru1 O1 163.7(7) . . . . ? C4 N1 Ru1 C12 61.8(12) . . . . ? C3 N1 Ru1 C12 -114.2(9) . . . . ? C4 N1 Ru1 C13 165.4(8) . . . . ? C3 N1 Ru1 C13 -10.5(12) . . . . ? C4 N1 Ru1 C15 133.0(8) . . . . ? C3 N1 Ru1 C15 -43.0(7) . . . . ? C4 N1 Ru1 C14 160.9(7) . . . . ? C3 N1 Ru1 C14 -15.1(8) . . . . ? C4 N1 Ru1 C16 96.4(8) . . . . ? C3 N1 Ru1 C16 -79.5(7) . . . . ? C4 N1 Ru1 C11 67.6(9) . . . . ? C3 N1 Ru1 C11 -108.4(7) . . . . ? C4 N1 Ru1 P1 -100.3(8) . . . . ? C3 N1 Ru1 P1 83.7(6) . . . . ? C13 C12 Ru1 O1 -138.1(5) . . . . ? C11 C12 Ru1 O1 90.2(6) . . . . ? C13 C12 Ru1 N1 140.3(7) . . . . ? C11 C12 Ru1 N1 8.6(11) . . . . ? C11 C12 Ru1 C13 -131.7(8) . . . . ? C13 C12 Ru1 C15 65.8(6) . . . . ? C11 C12 Ru1 C15 -66.0(6) . . . . ? C13 C12 Ru1 C14 29.0(5) . . . . ? C11 C12 Ru1 C14 -102.7(6) . . . . ? C13 C12 Ru1 C16 102.1(6) . . . . ? C11 C12 Ru1 C16 -29.7(5) . . . . ? C13 C12 Ru1 C11 131.7(8) . . . . ? C13 C12 Ru1 P1 -59.8(6) . . . . ? C11 C12 Ru1 P1 168.5(5) . . . . ? C14 C13 Ru1 O1 179.9(5) . . . . ? C12 C13 Ru1 O1 48.3(6) . . . . ? C14 C13 Ru1 N1 -6.6(11) . . . . ? C12 C13 Ru1 N1 -138.2(8) . . . . ? C14 C13 Ru1 C12 131.6(8) . . . . ? C14 C13 Ru1 C15 29.2(5) . . . . ? C12 C13 Ru1 C15 -102.4(6) . . . . ? C12 C13 Ru1 C14 -131.6(8) . . . . ? C14 C13 Ru1 C16 65.4(6) . . . . ? C12 C13 Ru1 C16 -66.2(6) . . . . ? C14 C13 Ru1 C11 102.5(6) . . . . ? C12 C13 Ru1 C11 -29.1(5) . . . . ? C14 C13 Ru1 P1 -99.2(5) . . . . ? C12 C13 Ru1 P1 129.2(5) . . . . ? C16 C15 Ru1 O1 1.7(11) . . . . ? C14 C15 Ru1 O1 -130.8(7) . . . . ? C16 C15 Ru1 N1 -90.2(6) . . . . ? C14 C15 Ru1 N1 137.3(6) . . . . ? C16 C15 Ru1 C12 66.0(6) . . . . ? C14 C15 Ru1 C12 -66.5(6) . . . . ? C16 C15 Ru1 C13 103.4(7) . . . . ? C14 C15 Ru1 C13 -29.1(5) . . . . ? C16 C15 Ru1 C14 132.5(9) . . . . ? C14 C15 Ru1 C16 -132.5(9) . . . . ? C16 C15 Ru1 C11 29.2(6) . . . . ? C14 C15 Ru1 C11 -103.3(6) . . . . ? C16 C15 Ru1 P1 -179.3(5) . . . . ? C14 C15 Ru1 P1 48.2(7) . . . . ? C13 C14 Ru1 O1 -0.3(10) . . . . ? C15 C14 Ru1 O1 131.5(7) . . . . ? C20 C14 Ru1 O1 -115.0(10) . . . . ? C13 C14 Ru1 N1 177.0(5) . . . . ? C15 C14 Ru1 N1 -51.3(7) . . . . ? C20 C14 Ru1 N1 62.2(10) . . . . ? C13 C14 Ru1 C12 -29.7(5) . . . . ? C15 C14 Ru1 C12 102.1(6) . . . . ? C20 C14 Ru1 C12 -144.4(10) . . . . ? C15 C14 Ru1 C13 131.8(8) . . . . ? C20 C14 Ru1 C13 -114.7(11) . . . . ? C13 C14 Ru1 C15 -131.8(8) . . . . ? C20 C14 Ru1 C15 113.5(11) . . . . ? C13 C14 Ru1 C16 -103.2(6) . . . . ? C15 C14 Ru1 C16 28.6(6) . . . . ? C20 C14 Ru1 C16 142.1(10) . . . . ? C13 C14 Ru1 C11 -66.4(6) . . . . ? C15 C14 Ru1 C11 65.4(6) . . . . ? C20 C14 Ru1 C11 178.8(10) . . . . ? C13 C14 Ru1 P1 85.4(5) . . . . ? C15 C14 Ru1 P1 -142.8(5) . . . . ? C20 C14 Ru1 P1 -29.3(9) . . . . ? C15 C16 Ru1 O1 -179.1(5) . . . . ? C11 C16 Ru1 O1 -47.0(6) . . . . ? C15 C16 Ru1 N1 92.4(6) . . . . ? C11 C16 Ru1 N1 -135.4(6) . . . . ? C15 C16 Ru1 C12 -102.6(6) . . . . ? C11 C16 Ru1 C12 29.6(5) . . . . ? C15 C16 Ru1 C13 -65.2(6) . . . . ? C11 C16 Ru1 C13 67.0(6) . . . . ? C11 C16 Ru1 C15 132.2(9) . . . . ? C15 C16 Ru1 C14 -28.9(6) . . . . ? C11 C16 Ru1 C14 103.3(6) . . . . ? C15 C16 Ru1 C11 -132.2(9) . . . . ? C15 C16 Ru1 P1 1.9(13) . . . . ? C11 C16 Ru1 P1 134.1(9) . . . . ? C12 C11 Ru1 O1 -89.5(6) . . . . ? C16 C11 Ru1 O1 139.3(5) . . . . ? C17 C11 Ru1 O1 20.4(11) . . . . ? C12 C11 Ru1 N1 -175.9(5) . . . . ? C16 C11 Ru1 N1 52.9(6) . . . . ? C17 C11 Ru1 N1 -66.1(11) . . . . ? C16 C11 Ru1 C12 -131.2(8) . . . . ? C17 C11 Ru1 C12 109.9(13) . . . . ? C12 C11 Ru1 C13 29.6(5) . . . . ? C16 C11 Ru1 C13 -101.6(6) . . . . ? C17 C11 Ru1 C13 139.5(12) . . . . ? C12 C11 Ru1 C15 102.4(6) . . . . ? C16 C11 Ru1 C15 -28.7(5) . . . . ? C17 C11 Ru1 C15 -147.7(12) . . . . ? C12 C11 Ru1 C14 66.0(6) . . . . ? C16 C11 Ru1 C14 -65.2(5) . . . . ? C17 C11 Ru1 C14 175.9(11) . . . . ? C12 C11 Ru1 C16 131.2(8) . . . . ? C17 C11 Ru1 C16 -119.0(13) . . . . ? C12 C11 Ru1 P1 -22.5(9) . . . . ? C16 C11 Ru1 P1 -153.6(5) . . . . ? C17 C11 Ru1 P1 87.4(12) . . . . ? C23 P1 Ru1 O1 165.9(5) . . . . ? C21 P1 Ru1 O1 44.9(5) . . . . ? C22 P1 Ru1 O1 -69.7(4) . . . . ? C23 P1 Ru1 N1 -106.6(6) . . . . ? C21 P1 Ru1 N1 132.5(5) . . . . ? C22 P1 Ru1 N1 17.8(5) . . . . ? C23 P1 Ru1 C12 81.7(6) . . . . ? C21 P1 Ru1 C12 -39.3(5) . . . . ? C22 P1 Ru1 C12 -153.9(5) . . . . ? C23 P1 Ru1 C13 49.8(6) . . . . ? C21 P1 Ru1 C13 -71.1(5) . . . . ? C22 P1 Ru1 C13 174.2(5) . . . . ? C23 P1 Ru1 C15 -13.6(6) . . . . ? C21 P1 Ru1 C15 -134.6(5) . . . . ? C22 P1 Ru1 C15 110.7(5) . . . . ? C23 P1 Ru1 C14 13.2(6) . . . . ? C21 P1 Ru1 C14 -107.8(5) . . . . ? C22 P1 Ru1 C14 137.6(5) . . . . ? C23 P1 Ru1 C16 -15.0(11) . . . . ? C21 P1 Ru1 C16 -136.0(10) . . . . ? C22 P1 Ru1 C16 109.3(10) . . . . ? C23 P1 Ru1 C11 96.6(7) . . . . ? C21 P1 Ru1 C11 -24.4(7) . . . . ? C22 P1 Ru1 C11 -139.0(7) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 29.19 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 3.733 _refine_diff_density_min -2.034 _refine_diff_density_rms 0.196 data_d:compound14 _database_code_depnum_ccdc_archive 'CCDC 859818' #TrackingRef 'Structures_InorgChem.txt' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C28 H42 N4 O P Ru, F6 P' _chemical_formula_sum 'C28 H42 F6 N4 O P2 Ru' _chemical_formula_weight 727.67 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' F F 0.0171 0.0103 '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 Orthorhombic _symmetry_space_group_name_H-M 'P bca' _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_Int_Tables_number 61 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z' 'x, -y-1/2, z-1/2' _cell_length_a 14.364(3) _cell_length_b 15.552(3) _cell_length_c 28.435(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6352(2) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 8000 _cell_measurement_theta_min 3.8 _cell_measurement_theta_max 48.4 _exptl_crystal_description plate _exptl_crystal_colour yellow _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.18 _exptl_crystal_size_min 0.16 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.522 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2992 _exptl_absorpt_coefficient_mu 0.658 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; A crystal was mounted at 173K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using MoK\a graphite monochromated radiation. Image plate distance 70mm, \f oscillation scans 0 - 200\%, step \D\f = 0.8\%, 3 minutes per frame. ; _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 'STOE IPDS' _diffrn_measurement_method 'phi oscillation' _diffrn_detector_area_resol_mean 0.81\%A _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 12450 _diffrn_reflns_av_R_equivalents 0.0836 _diffrn_reflns_av_sigmaI/netI 0.2768 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -35 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 2.02 _diffrn_reflns_theta_max 26.08 _reflns_number_total 5901 _reflns_number_gt 1639 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'EXPOSE (Stoe & Cie, 2000)' _computing_cell_refinement 'CELL (Stoe & Cie, 2000)' _computing_data_reduction 'INTEGRATE (Stoe & Cie, 2000)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP-32 (Farrugia, 1997)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.0341P)^2^] 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 5901 _refine_ls_number_parameters 386 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1792 _refine_ls_R_factor_gt 0.0451 _refine_ls_wR_factor_ref 0.1061 _refine_ls_wR_factor_gt 0.0870 _refine_ls_goodness_of_fit_ref 0.642 _refine_ls_restrained_S_all 0.642 _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 C1 C 0.7230(11) 0.2939(14) 0.7435(6) 0.272(10) Uani 1 1 d . . . H1A H 0.7625 0.2637 0.7652 0.407 Uiso 1 1 calc R . . H1B H 0.6638 0.3047 0.7580 0.407 Uiso 1 1 calc R . . H1C H 0.7515 0.3475 0.7351 0.407 Uiso 1 1 calc R . . C2 C 0.7088(8) 0.2385(14) 0.6989(5) 0.274(12) Uani 1 1 d . . . H2A H 0.6665 0.1915 0.7056 0.328 Uiso 1 1 calc R . . H2B H 0.6815 0.2733 0.6741 0.328 Uiso 1 1 calc R . . C3 C 0.7974(5) 0.2049(7) 0.6835(3) 0.086(3) Uani 1 1 d . . . H3A H 0.8122 0.1546 0.7022 0.103 Uiso 1 1 calc R . . H3B H 0.8450 0.2477 0.6896 0.103 Uiso 1 1 calc R . . C4 C 0.7282(6) 0.1485(6) 0.6153(3) 0.074(3) Uani 1 1 d . . . H4 H 0.6763 0.1457 0.6349 0.088 Uiso 1 1 calc R . . C5 C 0.7163(4) 0.1160(5) 0.5690(3) 0.066(2) Uani 1 1 d . . . C6 C 0.6261(5) 0.0951(7) 0.5502(5) 0.101(4) Uani 1 1 d . . . H6 H 0.5755 0.1024 0.5702 0.122 Uiso 1 1 calc R . . C7 C 0.6077(7) 0.0668(7) 0.5079(6) 0.118(5) Uani 1 1 d . . . H7 H 0.5471 0.0552 0.4984 0.142 Uiso 1 1 calc R . . C8 C 0.6824(8) 0.0549(6) 0.4777(4) 0.098(4) Uani 1 1 d . . . H8 H 0.6710 0.0364 0.4471 0.118 Uiso 1 1 calc R . . C9 C 0.7736(5) 0.0695(6) 0.4914(3) 0.080(3) Uani 1 1 d . . . H9 H 0.8221 0.0589 0.4706 0.097 Uiso 1 1 calc R . . C10 C 0.7924(5) 0.0998(5) 0.5358(3) 0.057(2) Uani 1 1 d . . . C11 C 0.9278(6) 0.2923(6) 0.5331(3) 0.071(2) Uani 1 1 d . . . C12 C 0.8827(5) 0.3321(6) 0.5691(4) 0.072(3) Uani 1 1 d . . . C13 C 0.9225(7) 0.3442(6) 0.6132(3) 0.087(3) Uani 1 1 d . . . C14 C 1.0135(7) 0.3093(7) 0.6222(3) 0.084(3) Uani 1 1 d . . . C15 C 1.0608(5) 0.2637(6) 0.5847(4) 0.078(3) Uani 1 1 d . . . C16 C 1.0163(6) 0.2546(5) 0.5427(4) 0.081(3) Uani 1 1 d . . . C17 C 0.8799(7) 0.2861(8) 0.4865(3) 0.137(4) Uani 1 1 d . . . H17A H 0.8168 0.2676 0.4911 0.206 Uiso 1 1 calc R . . H17B H 0.9120 0.2454 0.4670 0.206 Uiso 1 1 calc R . . H17C H 0.8802 0.3415 0.4715 0.206 Uiso 1 1 calc R . . C18 C 0.7839(5) 0.3691(6) 0.5632(4) 0.139(5) Uani 1 1 d . . . H18A H 0.7879 0.4271 0.5518 0.208 Uiso 1 1 calc R . . H18B H 0.7525 0.3686 0.5930 0.208 Uiso 1 1 calc R . . H18C H 0.7498 0.3346 0.5411 0.208 Uiso 1 1 calc R . . C19 C 0.8789(8) 0.4021(8) 0.6509(5) 0.170(6) Uani 1 1 d . . . H19A H 0.9034 0.4593 0.6480 0.254 Uiso 1 1 calc R . . H19B H 0.8935 0.3798 0.6816 0.254 Uiso 1 1 calc R . . H19C H 0.8126 0.4034 0.6469 0.254 Uiso 1 1 calc R . . C20 C 1.0632(9) 0.3230(8) 0.6696(4) 0.191(7) Uani 1 1 d . . . H20A H 1.0953 0.3772 0.6691 0.286 Uiso 1 1 calc R . . H20B H 1.1072 0.2775 0.6746 0.286 Uiso 1 1 calc R . . H20C H 1.0182 0.3230 0.6945 0.286 Uiso 1 1 calc R . . C21 C 1.1579(4) 0.2340(6) 0.5921(5) 0.151(5) Uani 1 1 d . . . H21A H 1.1751 0.1951 0.5673 0.226 Uiso 1 1 calc R . . H21B H 1.1624 0.2050 0.6218 0.226 Uiso 1 1 calc R . . H21C H 1.1991 0.2826 0.5919 0.226 Uiso 1 1 calc R . . C22 C 1.0594(7) 0.2012(8) 0.5030(4) 0.152(5) Uani 1 1 d . . . H22A H 1.1102 0.1678 0.5152 0.228 Uiso 1 1 calc R . . H22B H 1.0820 0.2388 0.4787 0.228 Uiso 1 1 calc R . . H22C H 1.0132 0.1634 0.4901 0.228 Uiso 1 1 calc R . . C23 C 1.0538(5) 0.0720(6) 0.6861(3) 0.079(3) Uani 1 1 d . . . H23A H 1.1098 0.1060 0.6821 0.095 Uiso 1 1 calc R . . H23B H 1.0197 0.0950 0.7127 0.095 Uiso 1 1 calc R . . C24 C 1.0547(4) 0.0171(5) 0.5930(3) 0.076(2) Uani 1 1 d . . . H24A H 1.0221 0.0084 0.5635 0.091 Uiso 1 1 calc R . . H24B H 1.1117 0.0482 0.5864 0.091 Uiso 1 1 calc R . . C25 C 0.8957(5) -0.0014(5) 0.6474(3) 0.076(3) Uani 1 1 d . . . H25A H 0.8563 0.0197 0.6726 0.091 Uiso 1 1 calc R . . H25B H 0.8565 -0.0118 0.6202 0.091 Uiso 1 1 calc R . . C26 C 1.1335(6) -0.0565(7) 0.6568(4) 0.100(3) Uani 1 1 d . . . H26A H 1.1869 -0.0206 0.6498 0.120 Uiso 1 1 calc R . . H26B H 1.1563 -0.1122 0.6670 0.120 Uiso 1 1 calc R . . C27 C 0.9954(7) -0.1180(7) 0.6236(4) 0.100(3) Uani 1 1 d . . . H27A H 1.0140 -0.1761 0.6318 0.120 Uiso 1 1 calc R . . H27B H 0.9579 -0.1212 0.5952 0.120 Uiso 1 1 calc R . . C28 C 0.9961(7) -0.0709(7) 0.7033(3) 0.096(3) Uani 1 1 d . . . H28A H 1.0162 -0.1270 0.7142 0.115 Uiso 1 1 calc R . . H28B H 0.9586 -0.0453 0.7280 0.115 Uiso 1 1 calc R . . N1 N 0.8014(4) 0.1808(4) 0.6332(3) 0.067(2) Uani 1 1 d . . . N2 N 1.0793(6) -0.0166(5) 0.6958(2) 0.086(2) Uani 1 1 d . . . N3 N 1.0777(6) -0.0675(5) 0.6140(3) 0.089(2) Uani 1 1 d . . . N4 N 0.9383(5) -0.0823(5) 0.6620(3) 0.086(2) Uani 1 1 d . . . O1 O 0.8798(3) 0.1101(3) 0.54952(17) 0.0589(14) Uani 1 1 d . . . F1 F 1.1977(5) 0.6280(7) 0.6653(4) 0.275(6) Uani 1 1 d . . . F2 F 1.1058(7) 0.5437(7) 0.6323(4) 0.259(5) Uani 1 1 d . . . F3 F 0.9988(5) 0.6022(9) 0.6701(5) 0.324(8) Uani 1 1 d . . . F4 F 1.0841(13) 0.6765(7) 0.6300(4) 0.339(8) Uani 1 1 d . . . F5 F 1.0824(6) 0.6835(6) 0.7054(3) 0.217(4) Uani 1 1 d . . . F6 F 1.1136(7) 0.5579(7) 0.7063(4) 0.252(5) Uani 1 1 d . . . P1 P 0.98162(11) 0.08098(15) 0.63269(8) 0.0575(6) Uani 1 1 d . . . P2 P 1.09777(17) 0.6148(2) 0.66653(12) 0.0925(9) Uani 1 1 d . . . Ru1 Ru 0.92252(3) 0.20316(4) 0.596243(19) 0.04998(17) 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 C1 0.30(2) 0.29(2) 0.23(2) 0.051(19) 0.135(16) 0.143(18) C2 0.138(10) 0.54(4) 0.143(14) -0.159(18) 0.035(8) 0.075(13) C3 0.081(5) 0.097(8) 0.080(6) -0.021(7) 0.026(4) 0.012(5) C4 0.074(6) 0.074(7) 0.073(7) 0.000(5) 0.021(4) 0.014(5) C5 0.042(4) 0.056(6) 0.100(7) 0.012(5) -0.001(4) -0.007(4) C6 0.048(5) 0.090(9) 0.165(12) 0.021(8) -0.014(6) -0.007(5) C7 0.072(7) 0.082(9) 0.201(15) 0.025(9) -0.053(8) -0.022(6) C8 0.119(8) 0.071(8) 0.104(9) 0.040(6) -0.063(7) -0.031(6) C9 0.087(6) 0.068(8) 0.086(7) 0.001(6) -0.028(5) -0.014(5) C10 0.054(4) 0.042(6) 0.075(6) 0.000(5) -0.007(4) -0.007(4) C11 0.072(5) 0.065(6) 0.076(6) 0.009(5) -0.004(5) -0.017(6) C12 0.053(5) 0.067(8) 0.096(8) 0.010(6) -0.014(5) -0.004(4) C13 0.094(6) 0.070(7) 0.096(8) -0.019(5) 0.013(6) -0.008(6) C14 0.114(7) 0.062(8) 0.075(7) 0.015(6) -0.041(6) -0.038(6) C15 0.054(5) 0.081(8) 0.098(8) 0.031(6) -0.013(5) -0.003(4) C16 0.069(6) 0.059(7) 0.115(9) 0.004(6) 0.028(6) 0.001(4) C17 0.190(10) 0.129(12) 0.092(8) 0.043(8) -0.047(6) -0.065(8) C18 0.067(6) 0.080(9) 0.269(15) 0.069(9) 0.001(6) 0.015(5) C19 0.232(14) 0.089(11) 0.188(14) -0.049(10) 0.082(10) -0.017(9) C20 0.270(14) 0.157(15) 0.146(12) 0.023(10) -0.138(11) -0.084(11) C21 0.040(4) 0.127(10) 0.286(15) 0.092(10) 0.005(6) 0.006(4) C22 0.193(11) 0.103(9) 0.159(11) 0.011(10) 0.107(8) -0.006(9) C23 0.086(6) 0.067(8) 0.086(7) 0.013(5) -0.006(4) 0.018(4) C24 0.079(5) 0.077(7) 0.073(6) 0.017(6) 0.005(4) 0.021(4) C25 0.090(6) 0.051(7) 0.087(7) 0.013(5) 0.011(4) 0.010(4) C26 0.072(6) 0.112(10) 0.116(10) 0.010(7) 0.008(6) 0.025(5) C27 0.142(9) 0.053(8) 0.106(9) 0.020(7) 0.000(7) 0.008(6) C28 0.139(9) 0.070(9) 0.080(8) 0.029(6) 0.011(6) 0.017(6) N1 0.055(3) 0.060(6) 0.085(5) -0.013(4) 0.003(3) 0.011(3) N2 0.102(5) 0.073(6) 0.083(5) 0.021(5) 0.000(5) 0.021(5) N3 0.108(5) 0.075(6) 0.084(6) 0.005(4) 0.016(5) 0.031(5) N4 0.103(5) 0.060(6) 0.097(6) 0.021(5) 0.015(5) 0.003(4) O1 0.047(3) 0.069(4) 0.060(3) -0.009(3) 0.001(2) 0.005(2) F1 0.113(6) 0.285(13) 0.428(17) 0.043(12) 0.086(7) -0.064(6) F2 0.331(13) 0.196(11) 0.249(11) -0.131(9) 0.037(8) 0.037(8) F3 0.090(5) 0.50(2) 0.378(15) -0.204(16) -0.043(6) 0.003(8) F4 0.64(2) 0.166(12) 0.205(12) 0.116(9) 0.076(13) 0.172(13) F5 0.270(8) 0.164(9) 0.216(9) -0.081(8) -0.058(7) 0.030(7) F6 0.358(14) 0.224(12) 0.175(9) 0.109(9) -0.017(7) 0.018(9) P1 0.0526(11) 0.0582(17) 0.0617(14) 0.0036(12) 0.0036(9) 0.0016(10) P2 0.086(2) 0.092(3) 0.100(2) 0.020(2) -0.0061(14) 0.0017(15) Ru1 0.0422(2) 0.0512(4) 0.0565(3) -0.0014(4) 0.0020(3) -0.0007(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 C2 1.55(2) . ? C1 H1A 0.9600 . ? C1 H1B 0.9600 . ? C1 H1C 0.9600 . ? C2 C3 1.445(12) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 N1 1.479(9) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 N1 1.272(9) . ? C4 C5 1.421(10) . ? C4 H4 0.9300 . ? C5 C6 1.440(10) . ? C5 C10 1.465(10) . ? C6 C7 1.308(14) . ? C6 H6 0.9300 . ? C7 C8 1.386(14) . ? C7 H7 0.9300 . ? C8 C9 1.385(10) . ? C8 H8 0.9300 . ? C9 C10 1.374(10) . ? C9 H9 0.9300 . ? C10 O1 1.324(7) . ? C11 C12 1.360(11) . ? C11 C16 1.426(11) . ? C11 C17 1.497(10) . ? C11 Ru1 2.269(8) . ? C12 C13 1.390(12) . ? C12 C18 1.541(9) . ? C12 Ru1 2.223(8) . ? C13 C14 1.438(12) . ? C13 C19 1.535(12) . ? C13 Ru1 2.245(9) . ? C14 C15 1.450(12) . ? C14 C20 1.540(12) . ? C14 Ru1 2.231(8) . ? C15 C16 1.363(12) . ? C15 C21 1.484(9) . ? C15 Ru1 2.223(7) . ? C16 C22 1.533(12) . ? C16 Ru1 2.185(9) . ? 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 N2 1.451(10) . ? C23 P1 1.843(8) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 N3 1.483(9) . ? C24 P1 1.833(7) . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 N4 1.459(9) . ? C25 P1 1.828(8) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 N3 1.467(11) . ? C26 N2 1.489(11) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 N3 1.446(10) . ? C27 N4 1.474(11) . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 N4 1.451(10) . ? C28 N2 1.479(10) . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? N1 Ru1 2.063(6) . ? O1 Ru1 2.058(5) . ? F1 P2 1.451(7) . ? F2 P2 1.478(8) . ? F3 P2 1.439(8) . ? F4 P2 1.427(9) . ? F5 P2 1.553(8) . ? F6 P2 1.454(8) . ? P1 Ru1 2.325(2) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag 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 . . ? C3 C2 C1 109.5(11) . . ? C3 C2 H2A 109.8 . . ? C1 C2 H2A 109.8 . . ? C3 C2 H2B 109.8 . . ? C1 C2 H2B 109.8 . . ? H2A C2 H2B 108.2 . . ? C2 C3 N1 114.7(8) . . ? C2 C3 H3A 108.6 . . ? N1 C3 H3A 108.6 . . ? C2 C3 H3B 108.6 . . ? N1 C3 H3B 108.6 . . ? H3A C3 H3B 107.6 . . ? N1 C4 C5 127.6(7) . . ? N1 C4 H4 116.2 . . ? C5 C4 H4 116.2 . . ? C4 C5 C6 122.2(9) . . ? C4 C5 C10 124.7(7) . . ? C6 C5 C10 113.1(9) . . ? C7 C6 C5 126.9(11) . . ? C7 C6 H6 116.6 . . ? C5 C6 H6 116.6 . . ? C6 C7 C8 117.3(10) . . ? C6 C7 H7 121.4 . . ? C8 C7 H7 121.4 . . ? C9 C8 C7 122.4(11) . . ? C9 C8 H8 118.8 . . ? C7 C8 H8 118.8 . . ? C10 C9 C8 120.1(9) . . ? C10 C9 H9 120.0 . . ? C8 C9 H9 120.0 . . ? O1 C10 C9 119.9(7) . . ? O1 C10 C5 119.8(7) . . ? C9 C10 C5 120.3(7) . . ? C12 C11 C16 117.9(8) . . ? C12 C11 C17 118.5(9) . . ? C16 C11 C17 123.5(9) . . ? C12 C11 Ru1 70.5(5) . . ? C16 C11 Ru1 68.2(5) . . ? C17 C11 Ru1 130.2(6) . . ? C11 C12 C13 123.0(8) . . ? C11 C12 C18 121.7(9) . . ? C13 C12 C18 115.3(9) . . ? C11 C12 Ru1 74.2(5) . . ? C13 C12 Ru1 72.8(5) . . ? C18 C12 Ru1 127.7(6) . . ? C12 C13 C14 118.9(8) . . ? C12 C13 C19 122.8(11) . . ? C14 C13 C19 117.9(10) . . ? C12 C13 Ru1 71.0(5) . . ? C14 C13 Ru1 70.7(5) . . ? C19 C13 Ru1 136.3(7) . . ? C13 C14 C15 118.7(7) . . ? C13 C14 C20 121.7(11) . . ? C15 C14 C20 119.5(10) . . ? C13 C14 Ru1 71.8(5) . . ? C15 C14 Ru1 70.7(5) . . ? C20 C14 Ru1 131.6(7) . . ? C16 C15 C14 118.3(7) . . ? C16 C15 C21 122.2(10) . . ? C14 C15 C21 119.3(10) . . ? C16 C15 Ru1 70.5(5) . . ? C14 C15 Ru1 71.3(4) . . ? C21 C15 Ru1 133.4(6) . . ? C15 C16 C11 122.9(9) . . ? C15 C16 C22 120.8(9) . . ? C11 C16 C22 116.3(10) . . ? C15 C16 Ru1 73.5(6) . . ? C11 C16 Ru1 74.5(4) . . ? C22 C16 Ru1 124.3(6) . . ? C11 C17 H17A 109.5 . . ? C11 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C11 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C12 C18 H18A 109.5 . . ? C12 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C12 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C13 C19 H19A 109.5 . . ? C13 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? C13 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? C14 C20 H20A 109.5 . . ? C14 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C14 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C15 C21 H21A 109.5 . . ? C15 C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? C15 C21 H21C 109.5 . . ? H21A C21 H21C 109.5 . . ? H21B C21 H21C 109.5 . . ? C16 C22 H22A 109.5 . . ? C16 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? C16 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? N2 C23 P1 111.8(6) . . ? N2 C23 H23A 109.3 . . ? P1 C23 H23A 109.3 . . ? N2 C23 H23B 109.3 . . ? P1 C23 H23B 109.3 . . ? H23A C23 H23B 107.9 . . ? N3 C24 P1 111.2(5) . . ? N3 C24 H24A 109.4 . . ? P1 C24 H24A 109.4 . . ? N3 C24 H24B 109.4 . . ? P1 C24 H24B 109.4 . . ? H24A C24 H24B 108.0 . . ? N4 C25 P1 112.7(5) . . ? N4 C25 H25A 109.0 . . ? P1 C25 H25A 109.0 . . ? N4 C25 H25B 109.0 . . ? P1 C25 H25B 109.0 . . ? H25A C25 H25B 107.8 . . ? N3 C26 N2 112.4(7) . . ? N3 C26 H26A 109.1 . . ? N2 C26 H26A 109.1 . . ? N3 C26 H26B 109.1 . . ? N2 C26 H26B 109.1 . . ? H26A C26 H26B 107.9 . . ? N3 C27 N4 112.9(8) . . ? N3 C27 H27A 109.0 . . ? N4 C27 H27A 109.0 . . ? N3 C27 H27B 109.0 . . ? N4 C27 H27B 109.0 . . ? H27A C27 H27B 107.8 . . ? N4 C28 N2 114.5(7) . . ? N4 C28 H28A 108.6 . . ? N2 C28 H28A 108.6 . . ? N4 C28 H28B 108.6 . . ? N2 C28 H28B 108.6 . . ? H28A C28 H28B 107.6 . . ? C4 N1 C3 117.1(7) . . ? C4 N1 Ru1 124.1(6) . . ? C3 N1 Ru1 118.9(5) . . ? C23 N2 C28 111.4(7) . . ? C23 N2 C26 112.7(7) . . ? C28 N2 C26 107.0(8) . . ? C27 N3 C26 110.7(8) . . ? C27 N3 C24 112.1(7) . . ? C26 N3 C24 110.6(8) . . ? C28 N4 C25 111.4(8) . . ? C28 N4 C27 109.2(7) . . ? C25 N4 C27 110.4(7) . . ? C10 O1 Ru1 123.9(4) . . ? C25 P1 C24 98.5(4) . . ? C25 P1 C23 97.9(4) . . ? C24 P1 C23 98.3(4) . . ? C25 P1 Ru1 115.4(3) . . ? C24 P1 Ru1 112.2(3) . . ? C23 P1 Ru1 129.4(3) . . ? F4 P2 F3 90.4(8) . . ? F4 P2 F1 91.3(8) . . ? F3 P2 F1 177.3(7) . . ? F4 P2 F6 175.2(8) . . ? F3 P2 F6 90.9(8) . . ? F1 P2 F6 87.2(6) . . ? F4 P2 F2 92.0(7) . . ? F3 P2 F2 91.3(6) . . ? F1 P2 F2 90.7(6) . . ? F6 P2 F2 92.6(7) . . ? F4 P2 F5 92.1(6) . . ? F3 P2 F5 84.4(5) . . ? F1 P2 F5 93.5(6) . . ? F6 P2 F5 83.5(6) . . ? F2 P2 F5 174.1(7) . . ? O1 Ru1 N1 87.7(2) . . ? O1 Ru1 C16 89.5(3) . . ? N1 Ru1 C16 159.6(3) . . ? O1 Ru1 C12 109.5(3) . . ? N1 Ru1 C12 96.4(3) . . ? C16 Ru1 C12 65.6(3) . . ? O1 Ru1 C15 118.0(3) . . ? N1 Ru1 C15 154.2(4) . . ? C16 Ru1 C15 36.0(3) . . ? C12 Ru1 C15 78.3(3) . . ? O1 Ru1 C14 155.3(3) . . ? N1 Ru1 C14 116.8(4) . . ? C16 Ru1 C14 66.3(4) . . ? C12 Ru1 C14 66.3(3) . . ? C15 Ru1 C14 38.0(3) . . ? O1 Ru1 C13 145.6(3) . . ? N1 Ru1 C13 93.1(3) . . ? C16 Ru1 C13 78.0(3) . . ? C12 Ru1 C13 36.2(3) . . ? C15 Ru1 C13 67.6(3) . . ? C14 Ru1 C13 37.5(3) . . ? O1 Ru1 C11 85.9(3) . . ? N1 Ru1 C11 122.3(3) . . ? C16 Ru1 C11 37.3(3) . . ? C12 Ru1 C11 35.2(3) . . ? C15 Ru1 C11 66.1(3) . . ? C14 Ru1 C11 77.8(3) . . ? C13 Ru1 C11 64.7(3) . . ? O1 Ru1 P1 79.75(15) . . ? N1 Ru1 P1 86.75(18) . . ? C16 Ru1 P1 112.6(2) . . ? C12 Ru1 P1 170.3(2) . . ? C15 Ru1 P1 94.9(2) . . ? C14 Ru1 P1 104.1(3) . . ? C13 Ru1 P1 134.6(3) . . ? C11 Ru1 P1 147.1(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 C1 C2 C3 N1 -157.2(13) . . . . ? N1 C4 C5 C6 -168.7(8) . . . . ? N1 C4 C5 C10 11.7(15) . . . . ? C4 C5 C6 C7 178.3(11) . . . . ? C10 C5 C6 C7 -2.0(15) . . . . ? C5 C6 C7 C8 0.5(18) . . . . ? C6 C7 C8 C9 1.8(16) . . . . ? C7 C8 C9 C10 -2.3(13) . . . . ? C8 C9 C10 O1 177.1(7) . . . . ? C8 C9 C10 C5 0.5(12) . . . . ? C4 C5 C10 O1 4.5(12) . . . . ? C6 C5 C10 O1 -175.1(6) . . . . ? C4 C5 C10 C9 -178.9(8) . . . . ? C6 C5 C10 C9 1.5(11) . . . . ? C16 C11 C12 C13 5.9(13) . . . . ? C17 C11 C12 C13 -177.4(8) . . . . ? Ru1 C11 C12 C13 56.6(8) . . . . ? C16 C11 C12 C18 -175.6(7) . . . . ? C17 C11 C12 C18 1.1(13) . . . . ? Ru1 C11 C12 C18 -124.9(8) . . . . ? C16 C11 C12 Ru1 -50.7(7) . . . . ? C17 C11 C12 Ru1 126.0(8) . . . . ? C11 C12 C13 C14 -3.3(14) . . . . ? C18 C12 C13 C14 178.1(7) . . . . ? Ru1 C12 C13 C14 54.0(7) . . . . ? C11 C12 C13 C19 169.2(9) . . . . ? C18 C12 C13 C19 -9.4(13) . . . . ? Ru1 C12 C13 C19 -133.5(9) . . . . ? C11 C12 C13 Ru1 -57.3(8) . . . . ? C18 C12 C13 Ru1 124.2(7) . . . . ? C12 C13 C14 C15 0.7(12) . . . . ? C19 C13 C14 C15 -172.2(9) . . . . ? Ru1 C13 C14 C15 54.8(7) . . . . ? C12 C13 C14 C20 177.8(9) . . . . ? C19 C13 C14 C20 4.9(13) . . . . ? Ru1 C13 C14 C20 -128.1(9) . . . . ? C12 C13 C14 Ru1 -54.1(7) . . . . ? C19 C13 C14 Ru1 133.0(9) . . . . ? C13 C14 C15 C16 -0.9(13) . . . . ? C20 C14 C15 C16 -178.1(8) . . . . ? Ru1 C14 C15 C16 54.4(7) . . . . ? C13 C14 C15 C21 174.8(8) . . . . ? C20 C14 C15 C21 -2.4(13) . . . . ? Ru1 C14 C15 C21 -129.9(7) . . . . ? C13 C14 C15 Ru1 -55.3(7) . . . . ? C20 C14 C15 Ru1 127.5(8) . . . . ? C14 C15 C16 C11 3.7(13) . . . . ? C21 C15 C16 C11 -171.8(8) . . . . ? Ru1 C15 C16 C11 58.5(8) . . . . ? C14 C15 C16 C22 -175.3(8) . . . . ? C21 C15 C16 C22 9.2(13) . . . . ? Ru1 C15 C16 C22 -120.5(8) . . . . ? C14 C15 C16 Ru1 -54.7(7) . . . . ? C21 C15 C16 Ru1 129.7(8) . . . . ? C12 C11 C16 C15 -6.2(13) . . . . ? C17 C11 C16 C15 177.3(9) . . . . ? Ru1 C11 C16 C15 -58.0(8) . . . . ? C12 C11 C16 C22 172.9(8) . . . . ? C17 C11 C16 C22 -3.6(13) . . . . ? Ru1 C11 C16 C22 121.1(8) . . . . ? C12 C11 C16 Ru1 51.8(7) . . . . ? C17 C11 C16 Ru1 -124.7(9) . . . . ? C5 C4 N1 C3 -176.1(9) . . . . ? C5 C4 N1 Ru1 5.0(13) . . . . ? C2 C3 N1 C4 -36.0(14) . . . . ? C2 C3 N1 Ru1 143.0(11) . . . . ? P1 C23 N2 C28 -60.4(8) . . . . ? P1 C23 N2 C26 59.9(9) . . . . ? N4 C28 N2 C23 66.8(10) . . . . ? N4 C28 N2 C26 -56.8(10) . . . . ? N3 C26 N2 C23 -67.1(10) . . . . ? N3 C26 N2 C28 55.7(10) . . . . ? N4 C27 N3 C26 55.1(10) . . . . ? N4 C27 N3 C24 -68.9(10) . . . . ? N2 C26 N3 C27 -56.7(11) . . . . ? N2 C26 N3 C24 68.2(10) . . . . ? P1 C24 N3 C27 60.5(9) . . . . ? P1 C24 N3 C26 -63.6(8) . . . . ? N2 C28 N4 C25 -65.9(10) . . . . ? N2 C28 N4 C27 56.2(10) . . . . ? P1 C25 N4 C28 60.1(8) . . . . ? P1 C25 N4 C27 -61.3(9) . . . . ? N3 C27 N4 C28 -54.1(10) . . . . ? N3 C27 N4 C25 68.7(10) . . . . ? C9 C10 O1 Ru1 148.6(6) . . . . ? C5 C10 O1 Ru1 -34.8(9) . . . . ? N4 C25 P1 C24 49.7(7) . . . . ? N4 C25 P1 C23 -49.9(7) . . . . ? N4 C25 P1 Ru1 169.3(5) . . . . ? N3 C24 P1 C25 -48.0(7) . . . . ? N3 C24 P1 C23 51.4(7) . . . . ? N3 C24 P1 Ru1 -169.9(5) . . . . ? N2 C23 P1 C25 50.2(7) . . . . ? N2 C23 P1 C24 -49.6(7) . . . . ? N2 C23 P1 Ru1 -177.4(4) . . . . ? C10 O1 Ru1 N1 38.6(5) . . . . ? C10 O1 Ru1 C16 -121.1(6) . . . . ? C10 O1 Ru1 C12 -57.3(6) . . . . ? C10 O1 Ru1 C15 -144.1(5) . . . . ? C10 O1 Ru1 C14 -132.7(8) . . . . ? C10 O1 Ru1 C13 -53.5(7) . . . . ? C10 O1 Ru1 C11 -84.0(5) . . . . ? C10 O1 Ru1 P1 125.8(5) . . . . ? C4 N1 Ru1 O1 -23.3(7) . . . . ? C3 N1 Ru1 O1 157.8(6) . . . . ? C4 N1 Ru1 C16 59.0(13) . . . . ? C3 N1 Ru1 C16 -119.9(10) . . . . ? C4 N1 Ru1 C12 86.1(7) . . . . ? C3 N1 Ru1 C12 -92.9(6) . . . . ? C4 N1 Ru1 C15 162.3(7) . . . . ? C3 N1 Ru1 C15 -16.6(10) . . . . ? C4 N1 Ru1 C14 152.7(7) . . . . ? C3 N1 Ru1 C14 -26.2(7) . . . . ? C4 N1 Ru1 C13 122.3(7) . . . . ? C3 N1 Ru1 C13 -56.6(7) . . . . ? C4 N1 Ru1 C11 60.4(7) . . . . ? C3 N1 Ru1 C11 -118.5(6) . . . . ? C4 N1 Ru1 P1 -103.2(7) . . . . ? C3 N1 Ru1 P1 77.9(6) . . . . ? C15 C16 Ru1 O1 -144.1(6) . . . . ? C11 C16 Ru1 O1 83.9(5) . . . . ? C22 C16 Ru1 O1 -27.7(9) . . . . ? C15 C16 Ru1 N1 134.0(9) . . . . ? C11 C16 Ru1 N1 2.0(13) . . . . ? C22 C16 Ru1 N1 -109.6(11) . . . . ? C15 C16 Ru1 C12 104.2(6) . . . . ? C11 C16 Ru1 C12 -27.8(5) . . . . ? C22 C16 Ru1 C12 -139.4(11) . . . . ? C11 C16 Ru1 C15 -132.0(8) . . . . ? C22 C16 Ru1 C15 116.4(12) . . . . ? C15 C16 Ru1 C14 30.7(5) . . . . ? C11 C16 Ru1 C14 -101.3(6) . . . . ? C22 C16 Ru1 C14 147.1(11) . . . . ? C15 C16 Ru1 C13 68.2(6) . . . . ? C11 C16 Ru1 C13 -63.8(5) . . . . ? C22 C16 Ru1 C13 -175.4(10) . . . . ? C15 C16 Ru1 C11 132.0(8) . . . . ? C22 C16 Ru1 C11 -111.6(12) . . . . ? C15 C16 Ru1 P1 -65.4(6) . . . . ? C11 C16 Ru1 P1 162.6(5) . . . . ? C22 C16 Ru1 P1 51.0(10) . . . . ? C11 C12 Ru1 O1 -50.8(5) . . . . ? C13 C12 Ru1 O1 176.3(5) . . . . ? C18 C12 Ru1 O1 67.4(10) . . . . ? C11 C12 Ru1 N1 -140.6(5) . . . . ? C13 C12 Ru1 N1 86.5(5) . . . . ? C18 C12 Ru1 N1 -22.4(9) . . . . ? C11 C12 Ru1 C16 29.3(5) . . . . ? C13 C12 Ru1 C16 -103.5(6) . . . . ? C18 C12 Ru1 C16 147.5(11) . . . . ? C11 C12 Ru1 C15 64.9(5) . . . . ? C13 C12 Ru1 C15 -67.9(6) . . . . ? C18 C12 Ru1 C15 -176.9(10) . . . . ? C11 C12 Ru1 C14 102.9(6) . . . . ? C13 C12 Ru1 C14 -29.9(5) . . . . ? C18 C12 Ru1 C14 -138.9(11) . . . . ? C11 C12 Ru1 C13 132.8(7) . . . . ? C18 C12 Ru1 C13 -109.0(12) . . . . ? C13 C12 Ru1 C11 -132.8(7) . . . . ? C18 C12 Ru1 C11 118.2(11) . . . . ? C16 C15 Ru1 O1 41.6(6) . . . . ? C14 C15 Ru1 O1 172.3(5) . . . . ? C21 C15 Ru1 O1 -74.7(11) . . . . ? C16 C15 Ru1 N1 -144.7(6) . . . . ? C14 C15 Ru1 N1 -14.0(9) . . . . ? C21 C15 Ru1 N1 99.0(12) . . . . ? C14 C15 Ru1 C16 130.6(8) . . . . ? C21 C15 Ru1 C16 -116.3(14) . . . . ? C16 C15 Ru1 C12 -64.3(6) . . . . ? C14 C15 Ru1 C12 66.3(5) . . . . ? C21 C15 Ru1 C12 179.3(12) . . . . ? C16 C15 Ru1 C14 -130.6(8) . . . . ? C21 C15 Ru1 C14 113.0(13) . . . . ? C16 C15 Ru1 C13 -100.7(6) . . . . ? C14 C15 Ru1 C13 30.0(5) . . . . ? C21 C15 Ru1 C13 143.0(12) . . . . ? C16 C15 Ru1 C11 -29.5(5) . . . . ? C14 C15 Ru1 C11 101.2(6) . . . . ? C21 C15 Ru1 C11 -145.8(12) . . . . ? C16 C15 Ru1 P1 122.6(5) . . . . ? C14 C15 Ru1 P1 -106.7(5) . . . . ? C21 C15 Ru1 P1 6.3(11) . . . . ? C13 C14 Ru1 O1 114.2(8) . . . . ? C15 C14 Ru1 O1 -16.5(10) . . . . ? C20 C14 Ru1 O1 -129.3(11) . . . . ? C13 C14 Ru1 N1 -56.1(6) . . . . ? C15 C14 Ru1 N1 173.2(4) . . . . ? C20 C14 Ru1 N1 60.4(13) . . . . ? C13 C14 Ru1 C16 101.5(5) . . . . ? C15 C14 Ru1 C16 -29.2(5) . . . . ? C20 C14 Ru1 C16 -142.0(14) . . . . ? C13 C14 Ru1 C12 29.0(5) . . . . ? C15 C14 Ru1 C12 -101.7(6) . . . . ? C20 C14 Ru1 C12 145.5(14) . . . . ? C13 C14 Ru1 C15 130.6(7) . . . . ? C20 C14 Ru1 C15 -112.8(14) . . . . ? C15 C14 Ru1 C13 -130.6(7) . . . . ? C20 C14 Ru1 C13 116.5(14) . . . . ? C13 C14 Ru1 C11 64.1(5) . . . . ? C15 C14 Ru1 C11 -66.6(5) . . . . ? C20 C14 Ru1 C11 -179.4(13) . . . . ? C13 C14 Ru1 P1 -149.7(5) . . . . ? C15 C14 Ru1 P1 79.7(5) . . . . ? C20 C14 Ru1 P1 -33.1(13) . . . . ? C12 C13 Ru1 O1 -6.2(8) . . . . ? C14 C13 Ru1 O1 -137.5(6) . . . . ? C19 C13 Ru1 O1 111.9(12) . . . . ? C12 C13 Ru1 N1 -96.6(5) . . . . ? C14 C13 Ru1 N1 132.0(5) . . . . ? C19 C13 Ru1 N1 21.5(13) . . . . ? C12 C13 Ru1 C16 64.8(5) . . . . ? C14 C13 Ru1 C16 -66.6(5) . . . . ? C19 C13 Ru1 C16 -177.1(14) . . . . ? C14 C13 Ru1 C12 -131.4(7) . . . . ? C19 C13 Ru1 C12 118.0(15) . . . . ? C12 C13 Ru1 C15 101.0(6) . . . . ? C14 C13 Ru1 C15 -30.4(5) . . . . ? C19 C13 Ru1 C15 -140.9(14) . . . . ? C12 C13 Ru1 C14 131.4(7) . . . . ? C19 C13 Ru1 C14 -110.6(15) . . . . ? C12 C13 Ru1 C11 27.9(5) . . . . ? C14 C13 Ru1 C11 -103.5(5) . . . . ? C19 C13 Ru1 C11 145.9(14) . . . . ? C12 C13 Ru1 P1 174.9(4) . . . . ? C14 C13 Ru1 P1 43.5(6) . . . . ? C19 C13 Ru1 P1 -67.1(14) . . . . ? C12 C11 Ru1 O1 132.9(5) . . . . ? C16 C11 Ru1 O1 -94.5(5) . . . . ? C17 C11 Ru1 O1 21.6(9) . . . . ? C12 C11 Ru1 N1 48.2(6) . . . . ? C16 C11 Ru1 N1 -179.2(5) . . . . ? C17 C11 Ru1 N1 -63.1(10) . . . . ? C12 C11 Ru1 C16 -132.6(8) . . . . ? C17 C11 Ru1 C16 116.1(12) . . . . ? C16 C11 Ru1 C12 132.6(8) . . . . ? C17 C11 Ru1 C12 -111.3(11) . . . . ? C12 C11 Ru1 C15 -104.0(6) . . . . ? C16 C11 Ru1 C15 28.5(5) . . . . ? C17 C11 Ru1 C15 144.7(11) . . . . ? C12 C11 Ru1 C14 -65.9(5) . . . . ? C16 C11 Ru1 C14 66.7(6) . . . . ? C17 C11 Ru1 C14 -177.2(11) . . . . ? C12 C11 Ru1 C13 -28.6(5) . . . . ? C16 C11 Ru1 C13 103.9(6) . . . . ? C17 C11 Ru1 C13 -139.9(11) . . . . ? C12 C11 Ru1 P1 -163.1(4) . . . . ? C16 C11 Ru1 P1 -30.5(7) . . . . ? C17 C11 Ru1 P1 85.6(10) . . . . ? C25 P1 Ru1 O1 -58.1(3) . . . . ? C24 P1 Ru1 O1 53.6(3) . . . . ? C23 P1 Ru1 O1 176.0(4) . . . . ? C25 P1 Ru1 N1 30.1(4) . . . . ? C24 P1 Ru1 N1 141.8(4) . . . . ? C23 P1 Ru1 N1 -95.8(4) . . . . ? C25 P1 Ru1 C16 -143.2(4) . . . . ? C24 P1 Ru1 C16 -31.5(4) . . . . ? C23 P1 Ru1 C16 90.9(5) . . . . ? C25 P1 Ru1 C15 -175.6(4) . . . . ? C24 P1 Ru1 C15 -63.9(4) . . . . ? C23 P1 Ru1 C15 58.4(5) . . . . ? C25 P1 Ru1 C14 146.9(4) . . . . ? C24 P1 Ru1 C14 -101.4(4) . . . . ? C23 P1 Ru1 C14 21.0(5) . . . . ? C25 P1 Ru1 C13 121.3(5) . . . . ? C24 P1 Ru1 C13 -127.0(4) . . . . ? C23 P1 Ru1 C13 -4.6(5) . . . . ? C25 P1 Ru1 C11 -123.7(5) . . . . ? C24 P1 Ru1 C11 -12.0(5) . . . . ? C23 P1 Ru1 C11 110.4(5) . . . . ? _diffrn_measured_fraction_theta_max 0.938 _diffrn_reflns_theta_full 26.08 _diffrn_measured_fraction_theta_full 0.938 _refine_diff_density_max 0.588 _refine_diff_density_min -0.653 _refine_diff_density_rms 0.068