# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry, 1999 # CCDC Number: 182/1296 data_1a _audit_creation_method SHELXL-97 _chemical_name_systematic ; 1,3-Bis(ferrocenyl)allylium hexafluorophosphate ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C23 H21 F6 Fe2 P' _chemical_formula_weight 554.07 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'Orthorhombic' _symmetry_space_group_name_H-M 'Pbcn' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y+1/2, z+1/2' '-x, y, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y-1/2, -z-1/2' 'x, -y, z-1/2' '-x-1/2, y-1/2, z' _cell_length_a 14.420(3) _cell_length_b 12.267(2) _cell_length_c 24.062(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4256.3(14) _cell_formula_units_Z 8 _cell_measurement_temperature 83 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 15.3 _cell_measurement_theta_max 16.3 _exptl_crystal_description 'Fragment' _exptl_crystal_colour Red _exptl_crystal_size_max 0.44 _exptl_crystal_size_mid 0.37 _exptl_crystal_size_min 0.30 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.729 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2240 _exptl_absorpt_coefficient_mu 1.499 _exptl_absorpt_correction_type None _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 83 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CAD-4' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 75 _diffrn_standards_decay_% 'Within counting statistics, zero ' _diffrn_reflns_number 9150 _diffrn_reflns_av_R_equivalents 0.034 _diffrn_reflns_av_sigmaI/netI 0.0415 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -28 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 1.7 _diffrn_reflns_theta_max 25.0 _reflns_number_total 3752 _reflns_number_gt 2701 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction 'CRYM (Duchamp, 1964)' _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. Fourier maps revealed disorder, whereby there is a minor alternative orientation of the cation related to the major orienation by rotation about an axis perpendicular to the plane of the bridging group and passing through the central atom of the bridge. However, this could not be satisfactorily modelled and is, therefore, not included in the reported structure. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type 'Full matrix' _refine_ls_weighting_scheme Sigma _refine_ls_weighting_details 'w=1/s^2^(Fo^2^)' _atom_sites_solution_primary 'Direct methods' _atom_sites_solution_secondary 'All heavy atoms in intial solution' _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3752 _refine_ls_number_parameters 310 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1011 _refine_ls_R_factor_gt 0.0711 _refine_ls_wR_factor_ref 0.1327 _refine_ls_wR_factor_gt 0.1281 _refine_ls_goodness_of_fit_ref 2.656 _refine_ls_restrained_S_all 2.656 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Fe1 Fe 0.33113(6) 0.22526(7) 0.36176(3) 0.0245(2) Uani 1 1 d . . . Fe2 Fe 0.33149(6) 0.16481(7) 0.63407(3) 0.0237(2) Uani 1 1 d . . . P1 P 0.0000 0.0000 0.5000 0.0367(7) Uani 1 2 d S . . F1 F -0.0854(3) 0.0702(4) 0.47909(18) 0.0740(15) Uani 1 1 d . . . F2 F 0.0676(4) 0.0971(4) 0.4891(2) 0.0940(19) Uani 1 1 d . . . F3 F -0.0145(3) 0.0416(4) 0.56103(15) 0.0654(13) Uani 1 1 d . . . P2 P 0.0000 0.0390(2) 0.2500 0.0458(7) Uani 1 2 d S . . F4 F 0.0000 0.1678(5) 0.2500 0.116(3) Uani 1 2 d S . . F5 F 0.0000 -0.0901(5) 0.2500 0.097(3) Uani 1 2 d S . . F6 F 0.1088(3) 0.0380(5) 0.2526(2) 0.0988(18) Uani 1 1 d . . . F7 F -0.0050(4) 0.0388(4) 0.31495(16) 0.0792(15) Uani 1 1 d . . . C1 C 0.4472(5) 0.1524(7) 0.3882(2) 0.050(2) Uani 1 1 d . . . C2 C 0.3830(6) 0.0713(7) 0.3730(4) 0.058(2) Uani 1 1 d . . . H2A H 0.3581 0.0176 0.3958 0.18(6) Uiso 1 1 calc R . . C3 C 0.3650(6) 0.0877(6) 0.3187(3) 0.048(2) Uani 1 1 d . . . H3A H 0.3245 0.0445 0.2982 0.09(3) Uiso 1 1 calc R . . C4 C 0.4136(4) 0.1763(5) 0.2962(2) 0.0289(15) Uani 1 1 d . . . H4A H 0.4113 0.1997 0.2595 0.018(15) Uiso 1 1 calc R . . C5 C 0.4666(5) 0.2239(6) 0.3393(3) 0.044(2) Uani 1 1 d . . . H5A H 0.5046 0.2851 0.3376 0.07(3) Uiso 1 1 calc R . . C6 C 0.2763(5) 0.3344(6) 0.4175(3) 0.0390(18) Uani 1 1 d . . . H6A H 0.3016 0.3537 0.4517 0.06(2) Uiso 1 1 calc R . . C7 C 0.2129(5) 0.2470(7) 0.4082(4) 0.054(2) Uani 1 1 d . . . H7A H 0.1891 0.1994 0.4347 0.10(4) Uiso 1 1 calc R . . C8 C 0.1935(5) 0.2473(8) 0.3508(4) 0.074(3) Uani 1 1 d . . . H8A H 0.1548 0.1987 0.3323 0.06(2) Uiso 1 1 calc R . . C9 C 0.2421(6) 0.3323(8) 0.3264(3) 0.064(3) Uani 1 1 d . . . H9A H 0.2405 0.3509 0.2890 0.09(3) Uiso 1 1 calc R . . C10 C 0.2941(5) 0.3858(6) 0.3676(3) 0.0435(19) Uani 1 1 d . . . H10A H 0.3333 0.4450 0.3622 0.07(3) Uiso 1 1 calc R . . C11 C 0.4480(5) 0.1146(8) 0.5962(3) 0.052(2) Uani 1 1 d . . . C12 C 0.4688(4) 0.1615(5) 0.6511(3) 0.042(2) Uani 1 1 d . . . H12A H 0.5050 0.2223 0.6589 0.13(4) Uiso 1 1 calc R . . C13 C 0.4228(4) 0.0953(6) 0.6884(3) 0.0367(18) Uani 1 1 d . . . H13A H 0.4236 0.1029 0.7269 0.08(3) Uiso 1 1 calc R . . C14 C 0.3760(5) 0.0169(6) 0.6596(3) 0.045(2) Uani 1 1 d . . . H14A H 0.3392 -0.0362 0.6762 0.08(3) Uiso 1 1 calc R . . C15 C 0.3893(6) 0.0254(7) 0.6041(4) 0.056(2) Uani 1 1 d . . . H15A H 0.3643 -0.0192 0.5767 0.11(4) Uiso 1 1 calc R . . C16 C 0.2535(7) 0.2643(8) 0.5851(3) 0.067(3) Uani 1 1 d . . . H16A H 0.2635 0.2785 0.5476 0.10(3) Uiso 1 1 calc R . . C17 C 0.2921(6) 0.3229(7) 0.6290(3) 0.053(2) Uani 1 1 d . . . H17A H 0.3325 0.3818 0.6262 0.05(2) Uiso 1 1 calc R . . C18 C 0.2580(5) 0.2757(6) 0.6783(3) 0.0392(18) Uani 1 1 d . . . H18A H 0.2718 0.2990 0.7142 0.08(3) Uiso 1 1 calc R . . C19 C 0.2009(5) 0.1897(7) 0.6649(3) 0.047(2) Uani 1 1 d . . . H19A H 0.1699 0.1451 0.6901 0.10(3) Uiso 1 1 calc R . . C20 C 0.1973(5) 0.1807(8) 0.6061(4) 0.063(3) Uani 1 1 d . . . H20A H 0.1643 0.1296 0.5855 0.08(3) Uiso 1 1 calc R . . C21 C 0.4673(5) 0.1833(7) 0.4440(4) 0.062(2) Uani 1 1 d . . . C22 C 0.4365(5) 0.1164(7) 0.4911(2) 0.044(2) Uani 1 1 d . . . C23 C 0.4673(5) 0.1650(6) 0.5433(3) 0.057(2) 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 Fe1 0.0191(5) 0.0277(5) 0.0268(5) -0.0062(4) -0.0023(4) 0.0042(4) Fe2 0.0204(5) 0.0279(5) 0.0228(4) 0.0012(4) 0.0000(4) 0.0045(4) P1 0.0433(15) 0.0429(17) 0.0238(12) -0.0014(11) -0.0004(12) 0.0035(17) F1 0.073(3) 0.090(4) 0.059(3) -0.007(3) -0.006(3) 0.038(3) F2 0.116(4) 0.085(4) 0.080(4) 0.016(3) -0.013(3) -0.049(4) F3 0.079(3) 0.080(3) 0.037(2) -0.016(2) 0.003(2) 0.018(3) P2 0.0637(19) 0.0356(16) 0.0381(15) 0.000 0.0005(16) 0.000 F4 0.235(10) 0.030(4) 0.082(5) 0.000 0.007(6) 0.000 F5 0.122(7) 0.040(4) 0.128(6) 0.000 0.014(6) 0.000 F6 0.073(4) 0.141(5) 0.083(3) -0.011(4) -0.001(3) -0.013(4) F7 0.111(4) 0.088(4) 0.038(2) 0.010(2) 0.006(3) 0.023(3) C1 0.036(5) 0.100(7) 0.014(3) -0.013(4) -0.006(3) 0.043(5) C2 0.050(5) 0.046(5) 0.076(6) 0.007(5) 0.008(5) 0.016(4) C3 0.068(6) 0.025(4) 0.052(5) -0.010(4) 0.024(4) 0.002(4) C4 0.031(4) 0.029(4) 0.027(3) 0.004(3) 0.004(3) 0.007(3) C5 0.017(4) 0.047(5) 0.069(5) -0.017(4) 0.005(4) -0.005(4) C6 0.034(4) 0.047(5) 0.037(4) -0.014(4) 0.004(3) 0.019(4) C7 0.034(4) 0.050(5) 0.077(6) -0.012(5) 0.025(5) 0.008(4) C8 0.021(5) 0.091(8) 0.110(9) -0.067(7) -0.019(5) 0.015(5) C9 0.065(6) 0.082(7) 0.044(5) -0.020(5) -0.027(5) 0.056(6) C10 0.055(5) 0.031(4) 0.044(4) -0.005(4) -0.001(4) 0.024(4) C11 0.033(4) 0.098(7) 0.024(4) 0.030(4) 0.017(3) 0.047(5) C12 0.016(4) 0.020(4) 0.090(6) -0.002(4) -0.005(4) -0.001(3) C13 0.025(4) 0.059(5) 0.025(4) 0.010(4) -0.003(3) 0.009(4) C14 0.036(4) 0.022(4) 0.077(6) 0.005(4) -0.024(4) -0.005(4) C15 0.046(5) 0.049(6) 0.075(6) -0.020(5) -0.010(5) 0.022(4) C16 0.070(6) 0.094(8) 0.038(5) 0.013(5) -0.005(5) 0.069(6) C17 0.056(5) 0.036(5) 0.067(6) 0.024(5) 0.026(5) 0.028(4) C18 0.041(4) 0.041(5) 0.036(4) -0.006(4) 0.005(4) 0.015(4) C19 0.024(4) 0.064(6) 0.053(5) 0.000(5) 0.015(4) 0.013(4) C20 0.031(5) 0.076(7) 0.083(7) -0.039(6) -0.023(5) 0.028(5) C21 0.042(5) 0.066(6) 0.078(6) -0.006(5) -0.006(5) 0.020(4) C22 0.050(4) 0.071(6) 0.012(3) 0.006(3) 0.005(3) 0.043(4) C23 0.040(5) 0.054(5) 0.077(6) 0.002(5) 0.003(4) 0.016(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pln1 Fe1 1.643(3) . yes Pln2 Fe1 1.655(3) . yes Pln3 Fe2 1.642(3) . yes Pln4 Fe2 1.654(3) . yes Fe1 C1 2.001(6) . ? Fe1 C8 2.020(7) . ? Fe1 C9 2.024(7) . ? Fe1 C5 2.027(7) . ? Fe1 C3 2.040(7) . ? Fe1 C10 2.045(7) . ? Fe1 C2 2.049(8) . ? Fe1 C6 2.054(6) . ? Fe1 C7 2.056(7) . ? Fe1 C4 2.064(6) . ? Fe2 C11 2.009(6) . ? Fe2 C14 2.020(7) . ? Fe2 C12 2.022(6) . ? Fe2 C17 2.025(7) . ? Fe2 C18 2.027(7) . ? Fe2 C15 2.035(8) . ? Fe2 C16 2.035(7) . ? Fe2 C13 2.043(6) . ? Fe2 C19 2.048(7) . ? Fe2 C20 2.058(7) . ? P1 F2 1.560(5) 5_556 ? P1 F2 1.560(5) . ? P1 F3 1.569(4) . ? P1 F3 1.569(4) 5_556 ? P1 F1 1.585(4) . ? P1 F1 1.585(4) 5_556 ? P2 F7 1.565(4) . ? P2 F7 1.565(4) 3 ? P2 F6 1.570(5) 3 ? P2 F6 1.570(5) . ? P2 F4 1.579(7) . ? P2 F5 1.584(7) . ? C1 C2 1.406(11) . ? C1 C21 1.425(10) . ? C1 C5 1.494(10) . ? C2 C3 1.348(10) . ? C2 H2A 0.9300 . ? C3 C4 1.402(9) . ? C3 H3A 0.9300 . ? C4 C5 1.414(8) . ? C4 H4A 0.9300 . ? C5 H5A 0.9300 . ? C6 C10 1.381(9) . ? C6 C7 1.428(10) . ? C6 H6A 0.9300 . ? C7 C8 1.410(12) . ? C7 H7A 0.9300 . ? C8 C9 1.386(12) . ? C8 H8A 0.9300 . ? C9 C10 1.405(10) . ? C9 H9A 0.9300 . ? C10 H10A 0.9300 . ? C11 C15 1.397(11) . ? C11 C23 1.442(9) . ? C11 C12 1.472(10) . ? C12 C13 1.381(9) . ? C12 H12A 0.9300 . ? C13 C14 1.364(9) . ? C13 H13A 0.9300 . ? C14 C15 1.354(10) . ? C14 H14A 0.9300 . ? C15 H15A 0.9300 . ? C16 C17 1.393(11) . ? C16 C20 1.401(12) . ? C16 H16A 0.9300 . ? C17 C18 1.410(9) . ? C17 H17A 0.9300 . ? C18 C19 1.377(10) . ? C18 H18A 0.9300 . ? C19 C20 1.422(11) . ? C19 H19A 0.9300 . ? C20 H20A 0.9300 . ? C21 C22 1.469(10) . ? C22 C23 1.461(10) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Fe1 C8 157.4(4) . . ? C1 Fe1 C9 162.5(4) . . ? C8 Fe1 C9 40.1(3) . . ? C1 Fe1 C5 43.5(3) . . ? C8 Fe1 C5 155.9(4) . . ? C9 Fe1 C5 120.3(4) . . ? C1 Fe1 C3 65.9(3) . . ? C8 Fe1 C3 106.2(3) . . ? C9 Fe1 C3 118.4(3) . . ? C5 Fe1 C3 68.1(3) . . ? C1 Fe1 C10 128.8(3) . . ? C8 Fe1 C10 67.9(3) . . ? C9 Fe1 C10 40.4(3) . . ? C5 Fe1 C10 106.1(3) . . ? C3 Fe1 C10 153.4(3) . . ? C1 Fe1 C2 40.6(3) . . ? C8 Fe1 C2 120.0(4) . . ? C9 Fe1 C2 152.3(4) . . ? C5 Fe1 C2 71.1(3) . . ? C3 Fe1 C2 38.5(3) . . ? C10 Fe1 C2 166.8(3) . . ? C1 Fe1 C6 113.9(3) . . ? C8 Fe1 C6 67.7(3) . . ? C9 Fe1 C6 66.9(3) . . ? C5 Fe1 C6 123.4(3) . . ? C3 Fe1 C6 164.5(3) . . ? C10 Fe1 C6 39.4(2) . . ? C2 Fe1 C6 130.9(3) . . ? C1 Fe1 C7 125.4(3) . . ? C8 Fe1 C7 40.5(3) . . ? C9 Fe1 C7 67.5(4) . . ? C5 Fe1 C7 161.0(3) . . ? C3 Fe1 C7 125.6(3) . . ? C10 Fe1 C7 67.7(3) . . ? C2 Fe1 C7 110.5(4) . . ? C6 Fe1 C7 40.6(3) . . ? C1 Fe1 C4 68.3(2) . . ? C8 Fe1 C4 120.3(3) . . ? C9 Fe1 C4 103.5(3) . . ? C5 Fe1 C4 40.4(2) . . ? C3 Fe1 C4 39.9(2) . . ? C10 Fe1 C4 118.9(3) . . ? C2 Fe1 C4 67.8(3) . . ? C6 Fe1 C4 155.6(3) . . ? C7 Fe1 C4 158.5(3) . . ? C11 Fe2 C14 66.2(3) . . ? C11 Fe2 C12 42.8(3) . . ? C14 Fe2 C12 67.0(3) . . ? C11 Fe2 C17 120.1(3) . . ? C14 Fe2 C17 165.4(3) . . ? C12 Fe2 C17 107.8(3) . . ? C11 Fe2 C18 151.9(4) . . ? C14 Fe2 C18 127.5(3) . . ? C12 Fe2 C18 114.8(3) . . ? C17 Fe2 C18 40.7(3) . . ? C11 Fe2 C15 40.4(3) . . ? C14 Fe2 C15 39.0(3) . . ? C12 Fe2 C15 69.7(3) . . ? C17 Fe2 C15 154.0(3) . . ? C18 Fe2 C15 164.7(3) . . ? C11 Fe2 C16 112.5(3) . . ? C14 Fe2 C16 152.9(4) . . ? C12 Fe2 C16 132.1(4) . . ? C17 Fe2 C16 40.1(3) . . ? C18 Fe2 C16 67.2(3) . . ? C15 Fe2 C16 121.7(3) . . ? C11 Fe2 C13 67.9(3) . . ? C14 Fe2 C13 39.2(3) . . ? C12 Fe2 C13 39.7(2) . . ? C17 Fe2 C13 128.3(3) . . ? C18 Fe2 C13 106.3(3) . . ? C15 Fe2 C13 67.2(3) . . ? C16 Fe2 C13 167.8(4) . . ? C11 Fe2 C19 168.5(4) . . ? C14 Fe2 C19 108.4(3) . . ? C12 Fe2 C19 146.1(3) . . ? C17 Fe2 C19 67.7(3) . . ? C18 Fe2 C19 39.5(3) . . ? C15 Fe2 C19 129.1(4) . . ? C16 Fe2 C19 67.2(3) . . ? C13 Fe2 C19 115.0(3) . . ? C11 Fe2 C20 131.8(3) . . ? C14 Fe2 C20 118.9(4) . . ? C12 Fe2 C20 171.3(4) . . ? C17 Fe2 C20 68.0(4) . . ? C18 Fe2 C20 67.5(3) . . ? C15 Fe2 C20 110.4(3) . . ? C16 Fe2 C20 40.0(3) . . ? C13 Fe2 C20 148.8(4) . . ? C19 Fe2 C20 40.5(3) . . ? F2 P1 F2 180.0(4) 5_556 . ? F2 P1 F3 90.4(2) 5_556 . ? F2 P1 F3 89.6(2) . . ? F2 P1 F3 89.6(2) 5_556 5_556 ? F2 P1 F3 90.4(2) . 5_556 ? F3 P1 F3 180.000(1) . 5_556 ? F2 P1 F1 89.0(3) 5_556 . ? F2 P1 F1 91.0(3) . . ? F3 P1 F1 91.0(2) . . ? F3 P1 F1 89.0(2) 5_556 . ? F2 P1 F1 91.0(3) 5_556 5_556 ? F2 P1 F1 89.0(3) . 5_556 ? F3 P1 F1 89.0(2) . 5_556 ? F3 P1 F1 91.0(2) 5_556 5_556 ? F1 P1 F1 180.0(3) . 5_556 ? F7 P2 F7 179.8(4) . 3 ? F7 P2 F6 89.6(3) . 3 ? F7 P2 F6 90.4(3) 3 3 ? F7 P2 F6 90.4(3) . . ? F7 P2 F6 89.6(3) 3 . ? F6 P2 F6 179.1(5) 3 . ? F7 P2 F4 90.1(2) . . ? F7 P2 F4 90.1(2) 3 . ? F6 P2 F4 90.4(2) 3 . ? F6 P2 F4 90.4(2) . . ? F7 P2 F5 89.9(2) . . ? F7 P2 F5 89.9(2) 3 . ? F6 P2 F5 89.6(2) 3 . ? F6 P2 F5 89.6(2) . . ? F4 P2 F5 180.000(1) . . ? C2 C1 C21 124.5(8) . . ? C2 C1 C5 109.6(6) . . ? C21 C1 C5 123.1(8) . . ? C2 C1 Fe1 71.5(4) . . ? C21 C1 Fe1 110.5(5) . . ? C5 C1 Fe1 69.2(4) . . ? C3 C2 C1 105.8(8) . . ? C3 C2 Fe1 70.4(5) . . ? C1 C2 Fe1 67.9(4) . . ? C3 C2 H2A 127.1 . . ? C1 C2 H2A 127.1 . . ? Fe1 C2 H2A 126.2 . . ? C2 C3 C4 113.2(8) . . ? C2 C3 Fe1 71.1(5) . . ? C4 C3 Fe1 71.0(4) . . ? C2 C3 H3A 123.4 . . ? C4 C3 H3A 123.4 . . ? Fe1 C3 H3A 126.1 . . ? C3 C4 C5 107.9(6) . . ? C3 C4 Fe1 69.1(4) . . ? C5 C4 Fe1 68.4(4) . . ? C3 C4 H4A 126.0 . . ? C5 C4 H4A 126.0 . . ? Fe1 C4 H4A 128.0 . . ? C4 C5 C1 103.4(6) . . ? C4 C5 Fe1 71.2(4) . . ? C1 C5 Fe1 67.3(4) . . ? C4 C5 H5A 128.3 . . ? C1 C5 H5A 128.3 . . ? Fe1 C5 H5A 124.9 . . ? C10 C6 C7 108.9(7) . . ? C10 C6 Fe1 70.0(4) . . ? C7 C6 Fe1 69.8(4) . . ? C10 C6 H6A 125.5 . . ? C7 C6 H6A 125.5 . . ? Fe1 C6 H6A 126.3 . . ? C8 C7 C6 106.2(8) . . ? C8 C7 Fe1 68.4(4) . . ? C6 C7 Fe1 69.6(4) . . ? C8 C7 H7A 126.9 . . ? C6 C7 H7A 126.9 . . ? Fe1 C7 H7A 126.7 . . ? C9 C8 C7 108.5(8) . . ? C9 C8 Fe1 70.1(5) . . ? C7 C8 Fe1 71.2(4) . . ? C9 C8 H8A 125.8 . . ? C7 C8 H8A 125.8 . . ? Fe1 C8 H8A 124.5 . . ? C8 C9 C10 108.8(8) . . ? C8 C9 Fe1 69.8(5) . . ? C10 C9 Fe1 70.6(4) . . ? C8 C9 H9A 125.6 . . ? C10 C9 H9A 125.6 . . ? Fe1 C9 H9A 125.6 . . ? C6 C10 C9 107.6(8) . . ? C6 C10 Fe1 70.7(4) . . ? C9 C10 Fe1 69.0(4) . . ? C6 C10 H10A 126.2 . . ? C9 C10 H10A 126.2 . . ? Fe1 C10 H10A 125.7 . . ? C15 C11 C23 125.0(8) . . ? C15 C11 C12 107.9(6) . . ? C23 C11 C12 125.8(8) . . ? C15 C11 Fe2 70.8(4) . . ? C23 C11 Fe2 115.5(5) . . ? C12 C11 Fe2 69.1(4) . . ? C13 C12 C11 104.9(6) . . ? C13 C12 Fe2 70.9(4) . . ? C11 C12 Fe2 68.1(4) . . ? C13 C12 H12A 127.6 . . ? C11 C12 H12A 127.6 . . ? Fe2 C12 H12A 125.0 . . ? C14 C13 C12 108.7(7) . . ? C14 C13 Fe2 69.5(4) . . ? C12 C13 Fe2 69.4(4) . . ? C14 C13 H13A 125.6 . . ? C12 C13 H13A 125.6 . . ? Fe2 C13 H13A 127.1 . . ? C15 C14 C13 112.2(8) . . ? C15 C14 Fe2 71.1(5) . . ? C13 C14 Fe2 71.3(4) . . ? C15 C14 H14A 123.9 . . ? C13 C14 H14A 123.9 . . ? Fe2 C14 H14A 125.3 . . ? C14 C15 C11 106.3(8) . . ? C14 C15 Fe2 69.9(5) . . ? C11 C15 Fe2 68.8(4) . . ? C14 C15 H15A 126.9 . . ? C11 C15 H15A 126.9 . . ? Fe2 C15 H15A 126.0 . . ? C17 C16 C20 109.6(8) . . ? C17 C16 Fe2 69.5(4) . . ? C20 C16 Fe2 70.9(5) . . ? C17 C16 H16A 125.2 . . ? C20 C16 H16A 125.2 . . ? Fe2 C16 H16A 126.0 . . ? C16 C17 C18 106.7(8) . . ? C16 C17 Fe2 70.3(5) . . ? C18 C17 Fe2 69.7(4) . . ? C16 C17 H17A 126.7 . . ? C18 C17 H17A 126.7 . . ? Fe2 C17 H17A 124.9 . . ? C19 C18 C17 109.0(7) . . ? C19 C18 Fe2 71.1(4) . . ? C17 C18 Fe2 69.6(4) . . ? C19 C18 H18A 125.5 . . ? C17 C18 H18A 125.5 . . ? Fe2 C18 H18A 125.5 . . ? C18 C19 C20 108.3(8) . . ? C18 C19 Fe2 69.4(4) . . ? C20 C19 Fe2 70.1(4) . . ? C18 C19 H19A 125.9 . . ? C20 C19 H19A 125.9 . . ? Fe2 C19 H19A 126.1 . . ? C16 C20 C19 106.3(8) . . ? C16 C20 Fe2 69.1(5) . . ? C19 C20 Fe2 69.4(4) . . ? C16 C20 H20A 126.8 . . ? C19 C20 H20A 126.8 . . ? Fe2 C20 H20A 126.3 . . ? C1 C21 C22 121.1(8) . . ? C23 C22 C21 110.1(7) . . ? C11 C23 C22 121.7(8) . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.500 _refine_diff_density_min -0.587 _refine_diff_density_rms 0.131 #===END data_3a _audit_creation_method SHELXL-97 _chemical_name_systematic ; 1,3-Bis(ruthenocenyl)allylium hexafluorophosphate ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C23 H21 F6 P Ru2' _chemical_formula_weight 644.51 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'C 2/c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 26.409(6) _cell_length_b 15.004(3) _cell_length_c 11.970(3) _cell_angle_alpha 90.00 _cell_angle_beta 113.83(2) _cell_angle_gamma 90.00 _cell_volume 4338.6(17) _cell_formula_units_Z 8 _cell_measurement_temperature 84 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 17 _cell_measurement_theta_max 21 _exptl_crystal_description Plate _exptl_crystal_colour 'Dark golden' _exptl_crystal_size_max 0.39 _exptl_crystal_size_mid 0.39 _exptl_crystal_size_min 0.09 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.973 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2528 _exptl_absorpt_coefficient_mu 1.526 _exptl_absorpt_correction_type '\Y-scan (North, Phillips & Matthews, 1968)' _exptl_absorpt_correction_T_min 0.74 _exptl_absorpt_correction_T_max 1.10 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 84 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'normal-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type CAD-4 _diffrn_measurement_method \W-scan _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 75 _diffrn_standards_decay_% 'Within counting statistics' _diffrn_reflns_number 10256 _diffrn_reflns_av_R_equivalents 0.0144 _diffrn_reflns_av_sigmaI/netI 0.0228 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 31 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 1.5 _diffrn_reflns_theta_max 25 _reflns_number_total 3818 _reflns_number_gt 3539 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CAD-4 Software (Enraf-Nonius, 1989)' _computing_cell_refinement 'CAD-4 Software (Enraf-Nonius, 1989)' _computing_data_reduction 'CRYM (Duchamp, 1964)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'XP/PC (Siemens, 1989)' _computing_publication_material ? _refine_special_details ; Data were collected with 1 degree \w-scans. The individual backgrounds were replaced by a background function of two theta derived from those reflections with I < 3\s(I). The GOF_merge was 1.21 (3819 multiples); R_int was 0.0144 for 2828 duplicates. Three outlier reflections (-6 0 2, -4 2 1, 2 0 0) were deleted from the dataset. The hexafluorophosphate anion occupies two different Wyckoff sites of multiplicity 4. Both sites are disordered. The PF6 at site e (0 y 1/4, point symmetry 2) is split 0.507(8):0.493(8) and the PF6 at site c (1/4, 1/4, 0, center of inversion) is split 0.779(13):0.221(13). Weights w are calculated as 1/\s^2(Fo^2); variances (\s^2(Fo^2)) were derived from counting statistics plus an additional term, (0.014I)^2; variances of the merged data were obtained by propagation of error plus another additional term, (0.014)^2. 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 w=1/\s^2^(Fo^2^) _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment refxyz _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3818 _refine_ls_number_parameters 392 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0238 _refine_ls_R_factor_gt 0.0211 _refine_ls_wR_factor_ref 0.0491 _refine_ls_wR_factor_gt 0.0485 _refine_ls_goodness_of_fit_ref 1.764 _refine_ls_restrained_S_all 1.764 _refine_ls_shift/su_max 0.041 _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 0.145756(8) 0.088959(12) 0.196514(18) 0.00961(6) Uani 1 1 d . . . Ru2 Ru 0.406030(8) 0.102778(12) 0.401434(18) 0.00991(6) Uani 1 1 d . . . C1 C 0.14827(12) -0.05856(16) 0.2041(2) 0.0180(6) Uani 1 1 d . . . C2 C 0.12018(12) -0.02895(16) 0.0815(2) 0.0186(6) Uani 1 1 d . . . C3 C 0.15839(12) 0.02153(16) 0.0495(3) 0.0190(6) Uani 1 1 d . . . C4 C 0.20949(12) 0.02420(16) 0.1532(3) 0.0192(6) Uani 1 1 d . . . C5 C 0.20300(12) -0.02579(16) 0.2479(3) 0.0189(6) Uani 1 1 d . . . C6 C 0.10034(11) 0.15179(16) 0.2916(2) 0.0159(5) Uani 1 1 d . . . C7 C 0.06629(11) 0.15795(16) 0.1660(3) 0.0168(6) Uani 1 1 d . . . C8 C 0.09481(11) 0.20704(16) 0.1065(3) 0.0182(6) Uani 1 1 d . . . C9 C 0.14700(11) 0.23354(15) 0.1942(2) 0.0155(6) Uani 1 1 d . . . C10 C 0.15228(11) 0.19705(15) 0.3115(2) 0.0134(5) Uani 1 1 d . . . C11 C 0.20224(11) 0.15404(16) 0.3880(2) 0.0138(5) Uani 1 1 d . . . C12 C 0.25643(11) 0.17959(15) 0.3971(2) 0.0131(5) Uani 1 1 d . . . C13 C 0.30351(11) 0.14269(15) 0.4768(2) 0.0129(5) Uani 1 1 d . . . C14 C 0.35834(10) 0.16938(15) 0.4895(2) 0.0115(5) Uani 1 1 d . . . C15 C 0.37197(11) 0.23187(15) 0.4143(2) 0.0133(5) Uani 1 1 d . . . C16 C 0.43055(11) 0.23950(15) 0.4609(2) 0.0155(5) Uani 1 1 d . . . C17 C 0.45381(11) 0.18211(15) 0.5641(2) 0.0141(5) Uani 1 1 d . . . C18 C 0.41009(11) 0.13816(15) 0.5821(2) 0.0129(5) Uani 1 1 d . . . C19 C 0.36379(11) -0.01263(17) 0.2929(3) 0.0184(6) Uani 1 1 d . . . C20 C 0.36837(12) 0.05528(17) 0.2138(2) 0.0192(6) Uani 1 1 d . . . C21 C 0.42546(12) 0.07144(17) 0.2459(2) 0.0182(6) Uani 1 1 d . . . C22 C 0.45653(11) 0.01326(16) 0.3447(2) 0.0159(5) Uani 1 1 d . . . C23 C 0.41827(11) -0.03833(16) 0.3738(2) 0.0157(5) Uani 1 1 d . . . P1 P 0.2500 0.2500 0.0000 0.0160(2) Uani 1 2 d S . . F1 F 0.26253(7) 0.23859(14) 0.14087(15) 0.0417(5) Uani 1 1 d . A . F2 F 0.31502(11) 0.2557(4) 0.0351(3) 0.0304(10) Uani 0.779(13) 1 d P A 1 F3 F 0.25257(19) 0.14329(18) -0.0056(3) 0.0337(12) Uani 0.779(13) 1 d P A 1 F2A F 0.3067(6) 0.3037(13) 0.0460(9) 0.030(4) Uani 0.221(13) 1 d P A 2 F3A F 0.2787(7) 0.1656(8) -0.0310(9) 0.033(5) Uani 0.221(13) 1 d P A 2 P2 P 0.0000 0.09464(6) -0.2500 0.0141(2) Uani 1 2 d S . . F4 F -0.00872(7) 0.09427(11) -0.12513(15) 0.0306(4) Uani 1 1 d . . . F5 F 0.0248(3) 0.1903(3) -0.2105(4) 0.055(2) Uani 0.507(8) 1 d P . 1 F6 F 0.05902(18) 0.0533(4) -0.1822(4) 0.047(2) Uani 0.507(8) 1 d P . 1 F5A F 0.06068(18) 0.1371(4) -0.1850(4) 0.050(2) Uani 0.493(8) 1 d P . 2 F6A F 0.0254(3) -0.0021(3) -0.2134(4) 0.053(2) Uani 0.493(8) 1 d P . 2 H1 H 0.1345(17) -0.093(2) 0.252(4) 0.064 Uiso 1 1 d . . . H2 H 0.0820(17) -0.038(3) 0.030(4) 0.064 Uiso 1 1 d . . . H3 H 0.1511(16) 0.050(3) -0.020(4) 0.064 Uiso 1 1 d . . . H4 H 0.2384(17) 0.052(3) 0.159(4) 0.064 Uiso 1 1 d . . . H5 H 0.2280(17) -0.034(3) 0.324(4) 0.064 Uiso 1 1 d . . . H6 H 0.0911(17) 0.120(2) 0.350(4) 0.064 Uiso 1 1 d . . . H7 H 0.0326(17) 0.133(3) 0.126(4) 0.064 Uiso 1 1 d . . . H8 H 0.0800(16) 0.217(3) 0.019(4) 0.064 Uiso 1 1 d . . . H9 H 0.1725(16) 0.266(2) 0.175(4) 0.064 Uiso 1 1 d . . . H11 H 0.2021(17) 0.113(2) 0.453(4) 0.064 Uiso 1 1 d . . . H12 H 0.2581(16) 0.224(2) 0.338(4) 0.064 Uiso 1 1 d . . . H13 H 0.2999(17) 0.096(2) 0.530(4) 0.064 Uiso 1 1 d . . . H15 H 0.3458(16) 0.266(2) 0.342(4) 0.064 Uiso 1 1 d . . . H16 H 0.4489(17) 0.276(2) 0.423(4) 0.064 Uiso 1 1 d . . . H17 H 0.4914(16) 0.174(2) 0.609(4) 0.064 Uiso 1 1 d . . . H18 H 0.4131(17) 0.102(2) 0.640(4) 0.064 Uiso 1 1 d . . . H19 H 0.3313(17) -0.034(3) 0.300(4) 0.064 Uiso 1 1 d . . . H20 H 0.3410(18) 0.087(2) 0.158(4) 0.064 Uiso 1 1 d . . . H21 H 0.4421(17) 0.112(2) 0.209(4) 0.064 Uiso 1 1 d . . . H22 H 0.4947(16) 0.009(3) 0.383(4) 0.064 Uiso 1 1 d . . . H23 H 0.4285(17) -0.083(2) 0.441(4) 0.064 Uiso 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 0.01027(12) 0.00834(10) 0.00987(11) -0.00065(7) 0.00371(9) 0.00037(7) Ru2 0.01010(11) 0.00859(10) 0.01035(11) -0.00038(7) 0.00341(9) 0.00099(7) C1 0.0298(17) 0.0088(11) 0.0203(14) -0.0025(11) 0.0152(13) 0.0001(11) C2 0.0227(15) 0.0142(12) 0.0183(14) -0.0105(11) 0.0076(12) -0.0023(11) C3 0.0295(16) 0.0149(12) 0.0188(14) -0.0020(11) 0.0161(13) 0.0028(11) C4 0.0183(15) 0.0127(11) 0.0318(16) -0.0026(12) 0.0157(13) 0.0037(11) C5 0.0231(16) 0.0098(11) 0.0220(15) -0.0012(11) 0.0072(13) 0.0073(11) C6 0.0150(14) 0.0151(12) 0.0193(14) -0.0040(11) 0.0086(12) 0.0038(11) C7 0.0098(13) 0.0158(12) 0.0218(15) -0.0022(11) 0.0032(12) 0.0039(10) C8 0.0196(15) 0.0129(11) 0.0195(14) 0.0026(11) 0.0055(12) 0.0061(11) C9 0.0188(15) 0.0082(11) 0.0191(14) 0.0000(10) 0.0071(12) 0.0029(10) C10 0.0139(13) 0.0114(11) 0.0142(13) -0.0065(10) 0.0050(11) 0.0000(10) C11 0.0161(14) 0.0147(11) 0.0101(12) -0.0059(10) 0.0046(11) -0.0016(10) C12 0.0149(14) 0.0115(11) 0.0135(13) -0.0039(10) 0.0065(11) -0.0001(10) C13 0.0166(14) 0.0119(11) 0.0111(13) -0.0034(10) 0.0065(11) -0.0011(10) C14 0.0129(13) 0.0098(10) 0.0103(12) -0.0033(10) 0.0032(11) 0.0012(9) C15 0.0161(14) 0.0072(10) 0.0159(13) -0.0008(10) 0.0057(11) 0.0009(10) C16 0.0183(14) 0.0085(11) 0.0202(14) -0.0019(10) 0.0085(12) -0.0014(10) C17 0.0132(13) 0.0120(11) 0.0151(13) -0.0047(10) 0.0036(11) -0.0001(10) C18 0.0165(14) 0.0112(11) 0.0116(13) -0.0003(10) 0.0064(11) 0.0016(10) C19 0.0169(14) 0.0162(12) 0.0203(14) -0.0109(11) 0.0056(12) -0.0010(11) C20 0.0192(15) 0.0194(13) 0.0134(13) -0.0050(11) 0.0007(12) 0.0063(11) C21 0.0238(16) 0.0207(12) 0.0129(13) -0.0030(11) 0.0103(12) 0.0030(11) C22 0.0131(13) 0.0177(12) 0.0154(13) -0.0059(11) 0.0040(11) 0.0023(11) C23 0.0197(15) 0.0110(11) 0.0157(13) -0.0047(10) 0.0065(12) 0.0027(10) P1 0.0146(5) 0.0206(5) 0.0105(5) 0.0041(4) 0.0027(4) -0.0028(4) F1 0.0272(10) 0.0818(14) 0.0121(9) 0.0108(9) 0.0038(8) -0.0142(10) F2 0.0158(13) 0.053(3) 0.0213(13) 0.0047(16) 0.0062(10) -0.0042(14) F3 0.043(2) 0.0240(12) 0.0273(14) 0.0046(10) 0.0067(13) -0.0027(12) F2A 0.024(6) 0.043(8) 0.020(4) -0.002(5) 0.005(4) -0.023(6) F3A 0.043(8) 0.027(5) 0.019(5) 0.002(4) 0.002(5) 0.013(5) P2 0.0110(5) 0.0174(4) 0.0129(5) 0.000 0.0037(4) 0.000 F4 0.0271(10) 0.0497(10) 0.0179(9) -0.0024(8) 0.0121(8) 0.0081(8) F5 0.094(6) 0.028(2) 0.042(3) -0.0098(18) 0.027(3) -0.033(3) F6 0.025(3) 0.088(6) 0.034(2) 0.030(3) 0.018(2) 0.035(3) F5A 0.023(3) 0.096(6) 0.031(2) -0.028(3) 0.010(2) -0.027(3) F6A 0.099(6) 0.037(2) 0.036(3) 0.014(2) 0.040(3) 0.045(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 Ru1 C10 2.089(2) . ? Ru1 C3 2.170(3) . ? Ru1 C9 2.170(2) . ? Ru1 C6 2.174(2) . ? Ru1 C2 2.175(2) . ? Ru1 C4 2.180(3) . ? Ru1 C5 2.208(2) . ? Ru1 C1 2.215(2) . ? Ru1 C8 2.222(3) . ? Ru1 C7 2.234(3) . ? Ru1 C11 2.381(3) . ? Ru1 Cp1 1.825 . ? Ru1 Cp2 1.804 . ? Ru2 C15 2.167(2) . ? Ru2 C21 2.173(3) . ? Ru2 C20 2.176(3) . ? Ru2 C19 2.182(3) . ? Ru2 C16 2.182(2) . ? Ru2 C14 2.184(2) . ? Ru2 C22 2.185(3) . ? Ru2 C18 2.186(3) . ? Ru2 C23 2.187(2) . ? Ru2 C17 2.194(3) . ? Ru2 C13 3.237(3) . ? Ru2 Cp3 1.812 . ? Ru2 Cp4 1.813 . ? C1 C5 1.412(4) . ? C1 C2 1.422(4) . ? C1 H1 0.95(4) . ? C2 C3 1.432(4) . ? C2 H2 0.96(4) . ? C3 C4 1.418(4) . ? C3 H3 0.88(4) . ? C4 C5 1.426(4) . ? C4 H4 0.85(4) . ? C5 H5 0.89(4) . ? C6 C7 1.409(4) . ? C6 C10 1.461(4) . ? C6 H6 0.96(4) . ? C7 C8 1.432(4) . ? C7 H7 0.90(4) . ? C8 C9 1.411(4) . ? C8 H8 0.97(4) . ? C9 C10 1.461(4) . ? C9 H9 0.93(4) . ? C10 C11 1.421(4) . ? C11 C12 1.443(4) . ? C11 H11 1.00(4) . ? C12 C13 1.343(4) . ? C12 H12 0.99(4) . ? C13 C14 1.450(3) . ? C13 H13 0.98(4) . ? C14 C15 1.443(3) . ? C14 C18 1.446(3) . ? C15 C16 1.421(4) . ? C15 H15 1.00(4) . ? C16 C17 1.426(4) . ? C16 H16 0.95(4) . ? C17 C18 1.419(4) . ? C17 H17 0.93(4) . ? C18 H18 0.86(4) . ? C19 C23 1.425(4) . ? C19 C20 1.429(4) . ? C19 H19 0.95(4) . ? C20 C21 1.418(4) . ? C20 H20 0.90(4) . ? C21 C22 1.432(4) . ? C21 H21 0.95(4) . ? C22 C23 1.423(4) . ? C22 H22 0.93(4) . ? C23 H23 1.00(4) . ? P1 F2A 1.591(9) 7 ? P1 F2A 1.591(9) . ? P1 F1 1.5910(16) . ? P1 F1 1.5910(16) 7 ? P1 F3A 1.595(9) 7 ? P1 F3A 1.595(9) . ? P1 F2 1.597(3) 7 ? P1 F2 1.597(3) . ? P1 F3 1.605(3) . ? P1 F3 1.605(3) 7 ? P2 F6 1.566(4) 2_554 ? P2 F6 1.566(4) . ? P2 F5 1.569(3) . ? P2 F5 1.569(3) 2_554 ? P2 F6A 1.585(4) 2_554 ? P2 F6A 1.585(4) . ? P2 F4 1.6016(16) 2_554 ? P2 F4 1.6016(16) . ? P2 F5A 1.603(4) . ? P2 F5A 1.603(4) 2_554 ? F5 F5 1.269(13) 2_554 ? F6A F6A 1.272(14) 2_554 ? 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 C10 Ru1 C3 153.88(10) . . ? C10 Ru1 C9 40.06(10) . . ? C3 Ru1 C9 116.60(10) . . ? C10 Ru1 C6 40.03(9) . . ? C3 Ru1 C6 157.69(11) . . ? C9 Ru1 C6 65.64(10) . . ? C10 Ru1 C2 166.07(10) . . ? C3 Ru1 C2 38.50(10) . . ? C9 Ru1 C2 143.86(10) . . ? C6 Ru1 C2 126.03(10) . . ? C10 Ru1 C4 129.56(10) . . ? C3 Ru1 C4 38.05(11) . . ? C9 Ru1 C4 115.18(10) . . ? C6 Ru1 C4 163.80(11) . . ? C2 Ru1 C4 63.83(11) . . ? C10 Ru1 C5 123.84(10) . . ? C3 Ru1 C5 63.26(11) . . ? C9 Ru1 C5 140.42(10) . . ? C6 Ru1 C5 130.75(10) . . ? C2 Ru1 C5 62.91(11) . . ? C4 Ru1 C5 37.93(10) . . ? C10 Ru1 C1 139.08(10) . . ? C3 Ru1 C1 63.60(10) . . ? C9 Ru1 C1 177.57(11) . . ? C6 Ru1 C1 115.19(10) . . ? C2 Ru1 C1 37.78(10) . . ? C4 Ru1 C1 63.33(10) . . ? C5 Ru1 C1 37.23(10) . . ? C10 Ru1 C8 64.73(10) . . ? C3 Ru1 C8 103.87(10) . . ? C9 Ru1 C8 37.45(10) . . ? C6 Ru1 C8 63.52(10) . . ? C2 Ru1 C8 111.67(11) . . ? C4 Ru1 C8 127.90(10) . . ? C5 Ru1 C8 165.65(10) . . ? C1 Ru1 C8 144.96(10) . . ? C10 Ru1 C7 64.53(10) . . ? C3 Ru1 C7 121.70(11) . . ? C9 Ru1 C7 63.43(10) . . ? C6 Ru1 C7 37.26(10) . . ? C2 Ru1 C7 104.03(10) . . ? C4 Ru1 C7 158.80(11) . . ? C5 Ru1 C7 154.04(10) . . ? C1 Ru1 C7 118.71(10) . . ? C8 Ru1 C7 37.48(10) . . ? C10 Ru1 C11 36.34(9) . . ? C3 Ru1 C11 136.92(10) . . ? C9 Ru1 C11 66.15(9) . . ? C6 Ru1 C11 65.27(9) . . ? C2 Ru1 C11 148.92(10) . . ? C4 Ru1 C11 99.69(10) . . ? C5 Ru1 C11 87.68(10) . . ? C1 Ru1 C11 111.93(9) . . ? C8 Ru1 C11 99.26(9) . . ? C7 Ru1 C11 98.59(9) . . ? Cp1 Ru1 Cp2 168.0 . . ? C15 Ru2 C21 120.17(10) . . ? C15 Ru2 C20 109.64(10) . . ? C21 Ru2 C20 38.06(10) . . ? C15 Ru2 C19 128.65(10) . . ? C21 Ru2 C19 63.82(11) . . ? C20 Ru2 C19 38.27(10) . . ? C15 Ru2 C16 38.15(10) . . ? C21 Ru2 C16 109.95(10) . . ? C20 Ru2 C16 126.59(10) . . ? C19 Ru2 C16 162.42(10) . . ? C15 Ru2 C14 38.73(9) . . ? C21 Ru2 C14 153.45(10) . . ? C20 Ru2 C14 122.41(10) . . ? C19 Ru2 C14 113.26(10) . . ? C16 Ru2 C14 64.24(9) . . ? C15 Ru2 C22 153.42(10) . . ? C21 Ru2 C22 38.36(10) . . ? C20 Ru2 C22 63.89(10) . . ? C19 Ru2 C22 63.68(10) . . ? C16 Ru2 C22 122.77(10) . . ? C14 Ru2 C22 167.06(9) . . ? C15 Ru2 C18 64.45(9) . . ? C21 Ru2 C18 164.91(10) . . ? C20 Ru2 C18 156.84(10) . . ? C19 Ru2 C18 126.20(10) . . ? C16 Ru2 C18 63.88(9) . . ? C14 Ru2 C18 38.63(9) . . ? C22 Ru2 C18 131.62(10) . . ? C15 Ru2 C23 165.23(10) . . ? C21 Ru2 C23 63.91(10) . . ? C20 Ru2 C23 63.93(10) . . ? C19 Ru2 C23 38.07(10) . . ? C16 Ru2 C23 156.48(10) . . ? C14 Ru2 C23 131.72(9) . . ? C22 Ru2 C23 37.99(10) . . ? C18 Ru2 C23 115.70(9) . . ? C15 Ru2 C17 63.81(10) . . ? C21 Ru2 C17 128.86(10) . . ? C20 Ru2 C17 162.29(10) . . ? C19 Ru2 C17 158.65(10) . . ? C16 Ru2 C17 38.02(9) . . ? C14 Ru2 C17 63.92(9) . . ? C22 Ru2 C17 113.87(10) . . ? C18 Ru2 C17 37.81(9) . . ? C23 Ru2 C17 126.32(10) . . ? Cp3 Ru2 Cp4 176.9 . . ? C5 C1 C2 107.7(2) . . ? C5 C1 Ru1 71.12(14) . . ? C2 C1 Ru1 69.57(14) . . ? C5 C1 H1 123(3) . . ? C2 C1 H1 129(3) . . ? Ru1 C1 H1 124(2) . . ? C1 C2 C3 108.1(3) . . ? C1 C2 Ru1 72.65(14) . . ? C3 C2 Ru1 70.56(14) . . ? C1 C2 H2 127(2) . . ? C3 C2 H2 125(2) . . ? Ru1 C2 H2 120(2) . . ? C4 C3 C2 107.8(2) . . ? C4 C3 Ru1 71.37(15) . . ? C2 C3 Ru1 70.95(14) . . ? C4 C3 H3 125(3) . . ? C2 C3 H3 127(3) . . ? Ru1 C3 H3 119(3) . . ? C3 C4 C5 107.7(2) . . ? C3 C4 Ru1 70.58(15) . . ? C5 C4 Ru1 72.11(15) . . ? C3 C4 H4 127(3) . . ? C5 C4 H4 126(3) . . ? Ru1 C4 H4 121(3) . . ? C1 C5 C4 108.8(3) . . ? C1 C5 Ru1 71.65(15) . . ? C4 C5 Ru1 69.96(14) . . ? C1 C5 H5 124(3) . . ? C4 C5 H5 127(3) . . ? Ru1 C5 H5 122(3) . . ? C7 C6 C10 107.2(2) . . ? C7 C6 Ru1 73.68(15) . . ? C10 C6 Ru1 66.85(13) . . ? C7 C6 H6 125(2) . . ? C10 C6 H6 128(2) . . ? Ru1 C6 H6 121(2) . . ? C6 C7 C8 109.1(2) . . ? C6 C7 Ru1 69.06(15) . . ? C8 C7 Ru1 70.83(15) . . ? C6 C7 H7 127(3) . . ? C8 C7 H7 124(3) . . ? Ru1 C7 H7 124(2) . . ? C9 C8 C7 109.1(2) . . ? C9 C8 Ru1 69.26(14) . . ? C7 C8 Ru1 71.69(14) . . ? C9 C8 H8 127(2) . . ? C7 C8 H8 124(2) . . ? Ru1 C8 H8 123(2) . . ? C8 C9 C10 107.1(2) . . ? C8 C9 Ru1 73.29(14) . . ? C10 C9 Ru1 66.98(12) . . ? C8 C9 H9 123(2) . . ? C10 C9 H9 130(2) . . ? Ru1 C9 H9 123(2) . . ? C11 C10 C9 119.5(2) . . ? C11 C10 C6 117.4(2) . . ? C9 C10 C6 107.4(2) . . ? C11 C10 Ru1 83.12(14) . . ? C9 C10 Ru1 72.97(13) . . ? C6 C10 Ru1 73.12(13) . . ? C10 C11 C12 124.2(2) . . ? C10 C11 Ru1 60.54(13) . . ? C12 C11 Ru1 113.46(17) . . ? C10 C11 H11 119(2) . . ? C12 C11 H11 115(2) . . ? Ru1 C11 H11 107(2) . . ? C13 C12 C11 123.3(2) . . ? C13 C12 H12 120(2) . . ? C11 C12 H12 117(2) . . ? C12 C13 C14 124.0(2) . . ? C12 C13 H13 117(2) . . ? C14 C13 H13 119(2) . . ? C15 C14 C18 107.0(2) . . ? C15 C14 C13 127.2(2) . . ? C18 C14 C13 125.8(2) . . ? C15 C14 Ru2 69.99(14) . . ? C18 C14 Ru2 70.77(14) . . ? C13 C14 Ru2 124.70(16) . . ? C16 C15 C14 108.3(2) . . ? C16 C15 Ru2 71.50(13) . . ? C14 C15 Ru2 71.27(13) . . ? C16 C15 H15 124(2) . . ? C14 C15 H15 128(2) . . ? Ru2 C15 H15 124(2) . . ? C15 C16 C17 108.1(2) . . ? C15 C16 Ru2 70.35(13) . . ? C17 C16 Ru2 71.46(13) . . ? C15 C16 H16 123(2) . . ? C17 C16 H16 129(2) . . ? Ru2 C16 H16 122(2) . . ? C18 C17 C16 108.6(2) . . ? C18 C17 Ru2 70.79(14) . . ? C16 C17 Ru2 70.52(14) . . ? C18 C17 H17 127(2) . . ? C16 C17 H17 125(2) . . ? Ru2 C17 H17 123(2) . . ? C17 C18 C14 108.0(2) . . ? C17 C18 Ru2 71.40(14) . . ? C14 C18 Ru2 70.60(14) . . ? C17 C18 H18 127(3) . . ? C14 C18 H18 125(3) . . ? Ru2 C18 H18 126(3) . . ? C23 C19 C20 108.1(2) . . ? C23 C19 Ru2 71.16(14) . . ? C20 C19 Ru2 70.65(15) . . ? C23 C19 H19 123(2) . . ? C20 C19 H19 128(2) . . ? Ru2 C19 H19 118(2) . . ? C21 C20 C19 107.9(2) . . ? C21 C20 Ru2 70.85(15) . . ? C19 C20 Ru2 71.08(15) . . ? C21 C20 H20 124(3) . . ? C19 C20 H20 128(3) . . ? Ru2 C20 H20 119(2) . . ? C20 C21 C22 108.1(2) . . ? C20 C21 Ru2 71.09(15) . . ? C22 C21 Ru2 71.28(15) . . ? C20 C21 H21 128(2) . . ? C22 C21 H21 123(2) . . ? Ru2 C21 H21 125(2) . . ? C23 C22 C21 107.9(2) . . ? C23 C22 Ru2 71.08(14) . . ? C21 C22 Ru2 70.36(14) . . ? C23 C22 H22 125(2) . . ? C21 C22 H22 127(2) . . ? Ru2 C22 H22 125(2) . . ? C22 C23 C19 108.0(2) . . ? C22 C23 Ru2 70.94(14) . . ? C19 C23 Ru2 70.77(14) . . ? C22 C23 H23 125(2) . . ? C19 C23 H23 127(2) . . ? Ru2 C23 H23 122(2) . . ? F2A P1 F2A 180.0(9) 7 . ? F2A P1 F1 94.4(4) 7 . ? F2A P1 F1 85.6(4) . . ? F2A P1 F1 85.6(4) 7 7 ? F2A P1 F1 94.4(4) . 7 ? F1 P1 F1 180.00(15) . 7 ? F2A P1 F3A 90.7(5) 7 7 ? F2A P1 F3A 89.3(5) . 7 ? F1 P1 F3A 75.7(5) . 7 ? F1 P1 F3A 104.3(5) 7 7 ? F2A P1 F3A 89.3(5) 7 . ? F2A P1 F3A 90.7(5) . . ? F1 P1 F3A 104.3(5) . . ? F1 P1 F3A 75.7(5) 7 . ? F3A P1 F3A 180.0(11) 7 . ? F2A P1 F2 28.3(6) 7 7 ? F2A P1 F2 151.7(6) . 7 ? F1 P1 F2 90.83(12) . 7 ? F1 P1 F2 89.17(12) 7 7 ? F3A P1 F2 62.7(5) 7 7 ? F3A P1 F2 117.3(5) . 7 ? F2A P1 F2 151.7(6) 7 . ? F2A P1 F2 28.3(6) . . ? F1 P1 F2 89.17(12) . . ? F1 P1 F2 90.83(12) 7 . ? F3A P1 F2 117.3(5) 7 . ? F3A P1 F2 62.7(5) . . ? F2 P1 F2 180.00(5) 7 . ? F2A P1 F3 62.0(7) 7 . ? F2A P1 F3 118.0(7) . . ? F1 P1 F3 86.73(16) . . ? F1 P1 F3 93.27(16) 7 . ? F3A P1 F3 146.5(6) 7 . ? F3A P1 F3 33.5(6) . . ? F2 P1 F3 89.69(15) 7 . ? F2 P1 F3 90.31(15) . . ? F2A P1 F3 118.0(7) 7 7 ? F2A P1 F3 62.0(7) . 7 ? F1 P1 F3 93.27(16) . 7 ? F1 P1 F3 86.73(16) 7 7 ? F3A P1 F3 33.5(6) 7 7 ? F3A P1 F3 146.5(6) . 7 ? F2 P1 F3 90.31(15) 7 7 ? F2 P1 F3 89.69(15) . 7 ? F3 P1 F3 180.0(2) . 7 ? F6 P2 F6 133.3(5) 2_554 . ? F6 P2 F5 136.5(4) 2_554 . ? F6 P2 F5 90.0(3) . . ? F6 P2 F5 90.0(3) 2_554 2_554 ? F6 P2 F5 136.5(4) . 2_554 ? F5 P2 F5 47.7(5) . 2_554 ? F6 P2 F6A 43.3(2) 2_554 2_554 ? F6 P2 F6A 90.1(5) . 2_554 ? F5 P2 F6A 178.4(2) . 2_554 ? F5 P2 F6A 132.5(3) 2_554 2_554 ? F6 P2 F6A 90.1(5) 2_554 . ? F6 P2 F6A 43.3(2) . . ? F5 P2 F6A 132.5(3) . . ? F5 P2 F6A 178.4(2) 2_554 . ? F6A P2 F6A 47.3(6) 2_554 . ? F6 P2 F4 90.19(15) 2_554 2_554 ? F6 P2 F4 89.65(16) . 2_554 ? F5 P2 F4 94.85(18) . 2_554 ? F5 P2 F4 85.51(18) 2_554 2_554 ? F6A P2 F4 86.73(17) 2_554 2_554 ? F6A P2 F4 92.91(17) . 2_554 ? F6 P2 F4 89.65(16) 2_554 . ? F6 P2 F4 90.19(15) . . ? F5 P2 F4 85.51(18) . . ? F5 P2 F4 94.85(18) 2_554 . ? F6A P2 F4 92.91(17) 2_554 . ? F6A P2 F4 86.73(17) . . ? F4 P2 F4 179.61(14) 2_554 . ? F6 P2 F5A 178.0(2) 2_554 . ? F6 P2 F5A 46.8(3) . . ? F5 P2 F5A 43.7(3) . . ? F5 P2 F5A 89.8(4) 2_554 . ? F6A P2 F5A 136.6(4) 2_554 . ? F6A P2 F5A 90.1(3) . . ? F4 P2 F5A 87.80(16) 2_554 . ? F4 P2 F5A 92.35(16) . . ? F6 P2 F5A 46.8(3) 2_554 2_554 ? F6 P2 F5A 178.0(2) . 2_554 ? F5 P2 F5A 89.8(4) . 2_554 ? F5 P2 F5A 43.7(3) 2_554 2_554 ? F6A P2 F5A 90.1(3) 2_554 2_554 ? F6A P2 F5A 136.6(4) . 2_554 ? F4 P2 F5A 92.35(16) 2_554 2_554 ? F4 P2 F5A 87.80(16) . 2_554 ? F5A P2 F5A 133.2(5) . 2_554 ? F5 F5 P2 66.2(3) 2_554 . ? F6A F6A P2 66.3(3) 2_554 . ? 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 C10 Ru1 C1 C5 -83.5(2) . . . . ? C3 Ru1 C1 C5 79.80(18) . . . . ? C9 Ru1 C1 C5 -16(2) . . . . ? C6 Ru1 C1 C5 -124.98(17) . . . . ? C2 Ru1 C1 C5 118.0(2) . . . . ? C4 Ru1 C1 C5 37.07(17) . . . . ? C8 Ru1 C1 C5 155.83(18) . . . . ? C7 Ru1 C1 C5 -166.81(16) . . . . ? C11 Ru1 C1 C5 -52.98(18) . . . . ? C10 Ru1 C1 C2 158.50(17) . . . . ? C3 Ru1 C1 C2 -38.20(17) . . . . ? C9 Ru1 C1 C2 -134(2) . . . . ? C6 Ru1 C1 C2 117.02(17) . . . . ? C4 Ru1 C1 C2 -80.93(18) . . . . ? C5 Ru1 C1 C2 -118.0(2) . . . . ? C8 Ru1 C1 C2 37.8(3) . . . . ? C7 Ru1 C1 C2 75.20(18) . . . . ? C11 Ru1 C1 C2 -170.97(15) . . . . ? C5 C1 C2 C3 0.8(3) . . . . ? Ru1 C1 C2 C3 62.01(17) . . . . ? C5 C1 C2 Ru1 -61.26(17) . . . . ? C10 Ru1 C2 C1 -85.5(4) . . . . ? C3 Ru1 C2 C1 117.1(2) . . . . ? C9 Ru1 C2 C1 177.01(17) . . . . ? C6 Ru1 C2 C1 -85.44(19) . . . . ? C4 Ru1 C2 C1 79.50(18) . . . . ? C5 Ru1 C2 C1 36.87(16) . . . . ? C8 Ru1 C2 C1 -157.73(16) . . . . ? C7 Ru1 C2 C1 -119.07(17) . . . . ? C11 Ru1 C2 C1 16.4(3) . . . . ? C10 Ru1 C2 C3 157.3(4) . . . . ? C9 Ru1 C2 C3 59.9(2) . . . . ? C6 Ru1 C2 C3 157.41(16) . . . . ? C4 Ru1 C2 C3 -37.65(16) . . . . ? C5 Ru1 C2 C3 -80.28(18) . . . . ? C1 Ru1 C2 C3 -117.1(2) . . . . ? C8 Ru1 C2 C3 85.12(18) . . . . ? C7 Ru1 C2 C3 123.78(17) . . . . ? C11 Ru1 C2 C3 -100.8(2) . . . . ? C1 C2 C3 C4 -1.1(3) . . . . ? Ru1 C2 C3 C4 62.26(17) . . . . ? C1 C2 C3 Ru1 -63.36(17) . . . . ? C10 Ru1 C3 C4 75.0(3) . . . . ? C9 Ru1 C3 C4 97.60(17) . . . . ? C6 Ru1 C3 C4 -172.1(2) . . . . ? C2 Ru1 C3 C4 -117.2(2) . . . . ? C5 Ru1 C3 C4 -37.88(15) . . . . ? C1 Ru1 C3 C4 -79.70(17) . . . . ? C8 Ru1 C3 C4 135.33(16) . . . . ? C7 Ru1 C3 C4 171.41(14) . . . . ? C11 Ru1 C3 C4 14.9(2) . . . . ? C10 Ru1 C3 C2 -167.8(2) . . . . ? C9 Ru1 C3 C2 -145.22(16) . . . . ? C6 Ru1 C3 C2 -54.9(3) . . . . ? C4 Ru1 C3 C2 117.2(2) . . . . ? C5 Ru1 C3 C2 79.30(17) . . . . ? C1 Ru1 C3 C2 37.49(16) . . . . ? C8 Ru1 C3 C2 -107.48(17) . . . . ? C7 Ru1 C3 C2 -71.41(18) . . . . ? C11 Ru1 C3 C2 132.06(17) . . . . ? C2 C3 C4 C5 1.0(3) . . . . ? Ru1 C3 C4 C5 63.00(17) . . . . ? C2 C3 C4 Ru1 -61.99(17) . . . . ? C10 Ru1 C4 C3 -146.53(15) . . . . ? C9 Ru1 C4 C3 -101.65(16) . . . . ? C6 Ru1 C4 C3 169.2(3) . . . . ? C2 Ru1 C4 C3 38.10(15) . . . . ? C5 Ru1 C4 C3 116.9(2) . . . . ? C1 Ru1 C4 C3 80.48(16) . . . . ? C8 Ru1 C4 C3 -59.88(19) . . . . ? C7 Ru1 C4 C3 -20.6(3) . . . . ? C11 Ru1 C4 C3 -169.75(15) . . . . ? C10 Ru1 C4 C5 96.61(18) . . . . ? C3 Ru1 C4 C5 -116.9(2) . . . . ? C9 Ru1 C4 C5 141.48(16) . . . . ? C6 Ru1 C4 C5 52.4(4) . . . . ? C2 Ru1 C4 C5 -78.77(17) . . . . ? C1 Ru1 C4 C5 -36.39(16) . . . . ? C8 Ru1 C4 C5 -176.75(15) . . . . ? C7 Ru1 C4 C5 -137.4(3) . . . . ? C11 Ru1 C4 C5 73.38(17) . . . . ? C2 C1 C5 C4 -0.1(3) . . . . ? Ru1 C1 C5 C4 -60.39(17) . . . . ? C2 C1 C5 Ru1 60.26(17) . . . . ? C3 C4 C5 C1 -0.6(3) . . . . ? Ru1 C4 C5 C1 61.45(18) . . . . ? C3 C4 C5 Ru1 -62.00(17) . . . . ? C10 Ru1 C5 C1 128.42(16) . . . . ? C3 Ru1 C5 C1 -80.81(17) . . . . ? C9 Ru1 C5 C1 178.98(16) . . . . ? C6 Ru1 C5 C1 78.15(19) . . . . ? C2 Ru1 C5 C1 -37.42(16) . . . . ? C4 Ru1 C5 C1 -118.8(2) . . . . ? C8 Ru1 C5 C1 -108.4(4) . . . . ? C7 Ru1 C5 C1 27.2(3) . . . . ? C11 Ru1 C5 C1 132.16(17) . . . . ? C10 Ru1 C5 C4 -112.77(17) . . . . ? C3 Ru1 C5 C4 38.00(16) . . . . ? C9 Ru1 C5 C4 -62.2(2) . . . . ? C6 Ru1 C5 C4 -163.05(16) . . . . ? C2 Ru1 C5 C4 81.39(18) . . . . ? C1 Ru1 C5 C4 118.8(2) . . . . ? C8 Ru1 C5 C4 10.4(5) . . . . ? C7 Ru1 C5 C4 146.0(2) . . . . ? C11 Ru1 C5 C4 -109.03(17) . . . . ? C10 Ru1 C6 C7 117.4(2) . . . . ? C3 Ru1 C6 C7 -23.5(3) . . . . ? C9 Ru1 C6 C7 77.53(16) . . . . ? C2 Ru1 C6 C7 -62.54(19) . . . . ? C4 Ru1 C6 C7 174.2(3) . . . . ? C5 Ru1 C6 C7 -145.85(16) . . . . ? C1 Ru1 C6 C7 -104.99(17) . . . . ? C8 Ru1 C6 C7 35.95(15) . . . . ? C11 Ru1 C6 C7 151.26(18) . . . . ? C3 Ru1 C6 C10 -140.9(2) . . . . ? C9 Ru1 C6 C10 -39.89(15) . . . . ? C2 Ru1 C6 C10 -179.96(14) . . . . ? C4 Ru1 C6 C10 56.7(4) . . . . ? C5 Ru1 C6 C10 96.73(18) . . . . ? C1 Ru1 C6 C10 137.60(15) . . . . ? C8 Ru1 C6 C10 -81.46(16) . . . . ? C7 Ru1 C6 C10 -117.4(2) . . . . ? C11 Ru1 C6 C10 33.84(14) . . . . ? C10 C6 C7 C8 -1.0(3) . . . . ? Ru1 C6 C7 C8 -59.69(18) . . . . ? C10 C6 C7 Ru1 58.70(16) . . . . ? C10 Ru1 C7 C6 -39.23(15) . . . . ? C3 Ru1 C7 C6 169.75(15) . . . . ? C9 Ru1 C7 C6 -84.02(17) . . . . ? C2 Ru1 C7 C6 132.30(16) . . . . ? C4 Ru1 C7 C6 -175.5(2) . . . . ? C5 Ru1 C7 C6 76.3(3) . . . . ? C1 Ru1 C7 C6 94.67(17) . . . . ? C8 Ru1 C7 C6 -120.3(2) . . . . ? C11 Ru1 C7 C6 -26.21(17) . . . . ? C10 Ru1 C7 C8 81.04(17) . . . . ? C3 Ru1 C7 C8 -69.98(18) . . . . ? C9 Ru1 C7 C8 36.25(15) . . . . ? C6 Ru1 C7 C8 120.3(2) . . . . ? C2 Ru1 C7 C8 -107.43(16) . . . . ? C4 Ru1 C7 C8 -55.2(3) . . . . ? C5 Ru1 C7 C8 -163.4(2) . . . . ? C1 Ru1 C7 C8 -145.06(15) . . . . ? C11 Ru1 C7 C8 94.05(16) . . . . ? C6 C7 C8 C9 -0.8(3) . . . . ? Ru1 C7 C8 C9 -59.38(17) . . . . ? C6 C7 C8 Ru1 58.61(18) . . . . ? C10 Ru1 C8 C9 39.14(16) . . . . ? C3 Ru1 C8 C9 -115.84(17) . . . . ? C6 Ru1 C8 C9 83.84(17) . . . . ? C2 Ru1 C8 C9 -155.55(16) . . . . ? C4 Ru1 C8 C9 -82.54(19) . . . . ? C5 Ru1 C8 C9 -90.6(4) . . . . ? C1 Ru1 C8 C9 -179.40(17) . . . . ? C7 Ru1 C8 C9 119.6(2) . . . . ? C11 Ru1 C8 C9 27.53(17) . . . . ? C10 Ru1 C8 C7 -80.45(17) . . . . ? C3 Ru1 C8 C7 124.57(16) . . . . ? C9 Ru1 C8 C7 -119.6(2) . . . . ? C6 Ru1 C8 C7 -35.75(15) . . . . ? C2 Ru1 C8 C7 84.87(17) . . . . ? C4 Ru1 C8 C7 157.88(15) . . . . ? C5 Ru1 C8 C7 149.8(4) . . . . ? C1 Ru1 C8 C7 61.0(2) . . . . ? C11 Ru1 C8 C7 -92.05(16) . . . . ? C7 C8 C9 C10 2.2(3) . . . . ? Ru1 C8 C9 C10 -58.67(16) . . . . ? C7 C8 C9 Ru1 60.89(18) . . . . ? C10 Ru1 C9 C8 -117.5(2) . . . . ? C3 Ru1 C9 C8 77.72(19) . . . . ? C6 Ru1 C9 C8 -77.65(17) . . . . ? C2 Ru1 C9 C8 40.7(3) . . . . ? C4 Ru1 C9 C8 120.18(17) . . . . ? C5 Ru1 C9 C8 157.11(17) . . . . ? C1 Ru1 C9 C8 172(2) . . . . ? C7 Ru1 C9 C8 -36.27(16) . . . . ? C11 Ru1 C9 C8 -150.08(18) . . . . ? C3 Ru1 C9 C10 -164.76(15) . . . . ? C6 Ru1 C9 C10 39.86(15) . . . . ? C2 Ru1 C9 C10 158.22(17) . . . . ? C4 Ru1 C9 C10 -122.31(16) . . . . ? C5 Ru1 C9 C10 -85.4(2) . . . . ? C1 Ru1 C9 C10 -71(2) . . . . ? C8 Ru1 C9 C10 117.5(2) . . . . ? C7 Ru1 C9 C10 81.24(16) . . . . ? C11 Ru1 C9 C10 -32.57(14) . . . . ? C8 C9 C10 C11 134.2(2) . . . . ? Ru1 C9 C10 C11 71.5(2) . . . . ? C8 C9 C10 C6 -2.8(3) . . . . ? Ru1 C9 C10 C6 -65.53(16) . . . . ? C8 C9 C10 Ru1 62.74(17) . . . . ? C7 C6 C10 C11 -135.8(2) . . . . ? Ru1 C6 C10 C11 -72.7(2) . . . . ? C7 C6 C10 C9 2.3(3) . . . . ? Ru1 C6 C10 C9 65.43(16) . . . . ? C7 C6 C10 Ru1 -63.10(17) . . . . ? C3 Ru1 C10 C11 -91.5(3) . . . . ? C9 Ru1 C10 C11 -123.8(2) . . . . ? C6 Ru1 C10 C11 121.4(2) . . . . ? C2 Ru1 C10 C11 121.5(4) . . . . ? C4 Ru1 C10 C11 -41.0(2) . . . . ? C5 Ru1 C10 C11 6.3(2) . . . . ? C1 Ru1 C10 C11 52.7(2) . . . . ? C8 Ru1 C10 C11 -160.42(18) . . . . ? C7 Ru1 C10 C11 157.92(18) . . . . ? C3 Ru1 C10 C9 32.3(3) . . . . ? C6 Ru1 C10 C9 -114.8(2) . . . . ? C2 Ru1 C10 C9 -114.7(4) . . . . ? C4 Ru1 C10 C9 82.81(18) . . . . ? C5 Ru1 C10 C9 130.13(16) . . . . ? C1 Ru1 C10 C9 176.50(16) . . . . ? C8 Ru1 C10 C9 -36.61(15) . . . . ? C7 Ru1 C10 C9 -78.26(16) . . . . ? C11 Ru1 C10 C9 123.8(2) . . . . ? C3 Ru1 C10 C6 147.1(2) . . . . ? C9 Ru1 C10 C6 114.8(2) . . . . ? C2 Ru1 C10 C6 0.1(5) . . . . ? C4 Ru1 C10 C6 -162.39(15) . . . . ? C5 Ru1 C10 C6 -115.07(16) . . . . ? C1 Ru1 C10 C6 -68.7(2) . . . . ? C8 Ru1 C10 C6 78.19(16) . . . . ? C7 Ru1 C10 C6 36.54(15) . . . . ? C11 Ru1 C10 C6 -121.4(2) . . . . ? C9 C10 C11 C12 33.8(3) . . . . ? C6 C10 C11 C12 166.6(2) . . . . ? Ru1 C10 C11 C12 99.7(2) . . . . ? C9 C10 C11 Ru1 -65.95(19) . . . . ? C6 C10 C11 Ru1 66.93(19) . . . . ? C3 Ru1 C11 C10 139.89(16) . . . . ? C9 Ru1 C11 C10 35.78(15) . . . . ? C6 Ru1 C11 C10 -37.20(15) . . . . ? C2 Ru1 C11 C10 -156.57(19) . . . . ? C4 Ru1 C11 C10 149.13(16) . . . . ? C5 Ru1 C11 C10 -174.75(17) . . . . ? C1 Ru1 C11 C10 -145.84(16) . . . . ? C8 Ru1 C11 C10 17.88(17) . . . . ? C7 Ru1 C11 C10 -20.07(17) . . . . ? C10 Ru1 C11 C12 -117.3(2) . . . . ? C3 Ru1 C11 C12 22.6(2) . . . . ? C9 Ru1 C11 C12 -81.54(19) . . . . ? C6 Ru1 C11 C12 -154.5(2) . . . . ? C2 Ru1 C11 C12 86.1(3) . . . . ? C4 Ru1 C11 C12 31.81(19) . . . . ? C5 Ru1 C11 C12 67.94(19) . . . . ? C1 Ru1 C11 C12 96.85(19) . . . . ? C8 Ru1 C11 C12 -99.43(18) . . . . ? C7 Ru1 C11 C12 -137.38(18) . . . . ? C10 C11 C12 C13 174.7(2) . . . . ? Ru1 C11 C12 C13 -116.0(2) . . . . ? C11 C12 C13 C14 -178.2(2) . . . . ? C12 C13 C14 C15 -6.2(4) . . . . ? C12 C13 C14 C18 173.2(2) . . . . ? C12 C13 C14 Ru2 -96.4(3) . . . . ? C21 Ru2 C14 C15 -45.8(3) . . . . ? C20 Ru2 C14 C15 -81.08(17) . . . . ? C19 Ru2 C14 C15 -123.41(16) . . . . ? C16 Ru2 C14 C15 37.45(15) . . . . ? C22 Ru2 C14 C15 163.1(4) . . . . ? C18 Ru2 C14 C15 117.1(2) . . . . ? C23 Ru2 C14 C15 -163.53(15) . . . . ? C17 Ru2 C14 C15 79.92(16) . . . . ? C15 Ru2 C14 C18 -117.1(2) . . . . ? C21 Ru2 C14 C18 -162.9(2) . . . . ? C20 Ru2 C14 C18 161.80(14) . . . . ? C19 Ru2 C14 C18 119.47(15) . . . . ? C16 Ru2 C14 C18 -79.67(15) . . . . ? C22 Ru2 C14 C18 46.0(5) . . . . ? C23 Ru2 C14 C18 79.35(18) . . . . ? C17 Ru2 C14 C18 -37.21(14) . . . . ? C15 Ru2 C14 C13 122.0(3) . . . . ? C21 Ru2 C14 C13 76.3(3) . . . . ? C20 Ru2 C14 C13 40.9(2) . . . . ? C19 Ru2 C14 C13 -1.4(2) . . . . ? C16 Ru2 C14 C13 159.5(2) . . . . ? C22 Ru2 C14 C13 -74.9(5) . . . . ? C18 Ru2 C14 C13 -120.9(3) . . . . ? C23 Ru2 C14 C13 -41.5(3) . . . . ? C17 Ru2 C14 C13 -158.1(2) . . . . ? C18 C14 C15 C16 -0.8(3) . . . . ? C13 C14 C15 C16 178.7(2) . . . . ? Ru2 C14 C15 C16 -62.30(16) . . . . ? C18 C14 C15 Ru2 61.47(16) . . . . ? C13 C14 C15 Ru2 -119.0(2) . . . . ? C21 Ru2 C15 C16 -84.19(18) . . . . ? C20 Ru2 C15 C16 -124.77(16) . . . . ? C19 Ru2 C15 C16 -163.33(16) . . . . ? C14 Ru2 C15 C16 117.6(2) . . . . ? C22 Ru2 C15 C16 -54.1(3) . . . . ? C18 Ru2 C15 C16 79.54(16) . . . . ? C23 Ru2 C15 C16 173.7(3) . . . . ? C17 Ru2 C15 C16 37.34(15) . . . . ? C21 Ru2 C15 C14 158.25(15) . . . . ? C20 Ru2 C15 C14 117.68(16) . . . . ? C19 Ru2 C15 C14 79.11(18) . . . . ? C16 Ru2 C15 C14 -117.6(2) . . . . ? C22 Ru2 C15 C14 -171.6(2) . . . . ? C18 Ru2 C15 C14 -38.02(14) . . . . ? C23 Ru2 C15 C14 56.1(4) . . . . ? C17 Ru2 C15 C14 -80.22(16) . . . . ? C14 C15 C16 C17 0.3(3) . . . . ? Ru2 C15 C16 C17 -61.82(16) . . . . ? C14 C15 C16 Ru2 62.16(16) . . . . ? C21 Ru2 C16 C15 113.80(16) . . . . ? C20 Ru2 C16 C15 74.49(19) . . . . ? C19 Ru2 C16 C15 47.9(4) . . . . ? C14 Ru2 C16 C15 -38.02(15) . . . . ? C22 Ru2 C16 C15 154.47(15) . . . . ? C18 Ru2 C16 C15 -81.19(16) . . . . ? C23 Ru2 C16 C15 -176.0(2) . . . . ? C17 Ru2 C16 C15 -117.9(2) . . . . ? C15 Ru2 C16 C17 117.9(2) . . . . ? C21 Ru2 C16 C17 -128.28(16) . . . . ? C20 Ru2 C16 C17 -167.58(15) . . . . ? C19 Ru2 C16 C17 165.8(3) . . . . ? C14 Ru2 C16 C17 79.90(16) . . . . ? C22 Ru2 C16 C17 -87.60(17) . . . . ? C18 Ru2 C16 C17 36.74(15) . . . . ? C23 Ru2 C16 C17 -58.1(3) . . . . ? C15 C16 C17 C18 0.3(3) . . . . ? Ru2 C16 C17 C18 -60.81(17) . . . . ? C15 C16 C17 Ru2 61.11(16) . . . . ? C15 Ru2 C17 C18 81.37(16) . . . . ? C21 Ru2 C17 C18 -169.78(14) . . . . ? C20 Ru2 C17 C18 153.4(3) . . . . ? C19 Ru2 C17 C18 -49.4(3) . . . . ? C16 Ru2 C17 C18 118.8(2) . . . . ? C14 Ru2 C17 C18 38.01(14) . . . . ? C22 Ru2 C17 C18 -127.91(15) . . . . ? C23 Ru2 C17 C18 -86.02(17) . . . . ? C15 Ru2 C17 C16 -37.46(15) . . . . ? C21 Ru2 C17 C16 71.39(19) . . . . ? C20 Ru2 C17 C16 34.6(4) . . . . ? C19 Ru2 C17 C16 -168.3(2) . . . . ? C14 Ru2 C17 C16 -80.82(16) . . . . ? C22 Ru2 C17 C16 113.26(16) . . . . ? C18 Ru2 C17 C16 -118.8(2) . . . . ? C23 Ru2 C17 C16 155.15(15) . . . . ? C16 C17 C18 C14 -0.8(3) . . . . ? Ru2 C17 C18 C14 -61.47(16) . . . . ? C16 C17 C18 Ru2 60.65(17) . . . . ? C15 C14 C18 C17 1.0(3) . . . . ? C13 C14 C18 C17 -178.6(2) . . . . ? Ru2 C14 C18 C17 61.98(17) . . . . ? C15 C14 C18 Ru2 -60.97(16) . . . . ? C13 C14 C18 Ru2 119.5(2) . . . . ? C15 Ru2 C18 C17 -79.52(15) . . . . ? C21 Ru2 C18 C17 32.0(4) . . . . ? C20 Ru2 C18 C17 -159.7(2) . . . . ? C19 Ru2 C18 C17 159.95(14) . . . . ? C16 Ru2 C18 C17 -36.94(15) . . . . ? C14 Ru2 C18 C17 -117.6(2) . . . . ? C22 Ru2 C18 C17 74.81(18) . . . . ? C23 Ru2 C18 C17 116.87(15) . . . . ? C15 Ru2 C18 C14 38.11(14) . . . . ? C21 Ru2 C18 C14 149.7(3) . . . . ? C20 Ru2 C18 C14 -42.1(3) . . . . ? C19 Ru2 C18 C14 -82.42(16) . . . . ? C16 Ru2 C18 C14 80.69(15) . . . . ? C22 Ru2 C18 C14 -167.56(14) . . . . ? C23 Ru2 C18 C14 -125.50(14) . . . . ? C17 Ru2 C18 C14 117.6(2) . . . . ? C15 Ru2 C19 C23 -170.72(15) . . . . ? C21 Ru2 C19 C23 80.38(17) . . . . ? C20 Ru2 C19 C23 117.9(2) . . . . ? C16 Ru2 C19 C23 153.4(3) . . . . ? C14 Ru2 C19 C23 -128.74(16) . . . . ? C22 Ru2 C19 C23 37.40(15) . . . . ? C18 Ru2 C19 C23 -86.39(18) . . . . ? C17 Ru2 C19 C23 -51.1(3) . . . . ? C15 Ru2 C19 C20 71.41(19) . . . . ? C21 Ru2 C19 C20 -37.49(15) . . . . ? C16 Ru2 C19 C20 35.5(4) . . . . ? C14 Ru2 C19 C20 113.39(16) . . . . ? C22 Ru2 C19 C20 -80.47(17) . . . . ? C18 Ru2 C19 C20 155.74(15) . . . . ? C23 Ru2 C19 C20 -117.9(2) . . . . ? C17 Ru2 C19 C20 -169.0(2) . . . . ? C23 C19 C20 C21 0.0(3) . . . . ? Ru2 C19 C20 C21 61.62(18) . . . . ? C23 C19 C20 Ru2 -61.66(17) . . . . ? C15 Ru2 C20 C21 114.19(16) . . . . ? C19 Ru2 C20 C21 -117.6(2) . . . . ? C16 Ru2 C20 C21 75.00(18) . . . . ? C14 Ru2 C20 C21 155.21(14) . . . . ? C22 Ru2 C20 C21 -37.76(15) . . . . ? C18 Ru2 C20 C21 -175.1(2) . . . . ? C23 Ru2 C20 C21 -80.25(16) . . . . ? C17 Ru2 C20 C21 49.2(4) . . . . ? C15 Ru2 C20 C19 -128.19(15) . . . . ? C21 Ru2 C20 C19 117.6(2) . . . . ? C16 Ru2 C20 C19 -167.39(15) . . . . ? C14 Ru2 C20 C19 -87.17(17) . . . . ? C22 Ru2 C20 C19 79.86(16) . . . . ? C18 Ru2 C20 C19 -57.4(3) . . . . ? C23 Ru2 C20 C19 37.37(15) . . . . ? C17 Ru2 C20 C19 166.8(3) . . . . ? C19 C20 C21 C22 0.3(3) . . . . ? Ru2 C20 C21 C22 62.02(17) . . . . ? C19 C20 C21 Ru2 -61.76(18) . . . . ? C15 Ru2 C21 C20 -83.58(17) . . . . ? C19 Ru2 C21 C20 37.70(15) . . . . ? C16 Ru2 C21 C20 -124.41(16) . . . . ? C14 Ru2 C21 C20 -52.3(3) . . . . ? C22 Ru2 C21 C20 117.6(2) . . . . ? C18 Ru2 C21 C20 172.5(3) . . . . ? C23 Ru2 C21 C20 80.31(16) . . . . ? C17 Ru2 C21 C20 -162.79(15) . . . . ? C15 Ru2 C21 C22 158.80(15) . . . . ? C20 Ru2 C21 C22 -117.6(2) . . . . ? C19 Ru2 C21 C22 -79.92(17) . . . . ? C16 Ru2 C21 C22 117.98(16) . . . . ? C14 Ru2 C21 C22 -169.96(19) . . . . ? C18 Ru2 C21 C22 54.9(4) . . . . ? C23 Ru2 C21 C22 -37.31(15) . . . . ? C17 Ru2 C21 C22 79.59(18) . . . . ? C20 C21 C22 C23 -0.4(3) . . . . ? Ru2 C21 C22 C23 61.52(17) . . . . ? C20 C21 C22 Ru2 -61.89(18) . . . . ? C15 Ru2 C22 C23 -162.1(2) . . . . ? C21 Ru2 C22 C23 -117.8(2) . . . . ? C20 Ru2 C22 C23 -80.35(17) . . . . ? C19 Ru2 C22 C23 -37.49(16) . . . . ? C16 Ru2 C22 C23 161.35(15) . . . . ? C14 Ru2 C22 C23 41.8(5) . . . . ? C18 Ru2 C22 C23 78.74(19) . . . . ? C17 Ru2 C22 C23 119.05(16) . . . . ? C15 Ru2 C22 C21 -44.3(3) . . . . ? C20 Ru2 C22 C21 37.47(16) . . . . ? C19 Ru2 C22 C21 80.33(17) . . . . ? C16 Ru2 C22 C21 -80.83(18) . . . . ? C14 Ru2 C22 C21 159.6(4) . . . . ? C18 Ru2 C22 C21 -163.44(15) . . . . ? C23 Ru2 C22 C21 117.8(2) . . . . ? C17 Ru2 C22 C21 -123.13(16) . . . . ? C21 C22 C23 C19 0.3(3) . . . . ? Ru2 C22 C23 C19 61.41(17) . . . . ? C21 C22 C23 Ru2 -61.07(17) . . . . ? C20 C19 C23 C22 -0.2(3) . . . . ? Ru2 C19 C23 C22 -61.52(17) . . . . ? C20 C19 C23 Ru2 61.33(17) . . . . ? C15 Ru2 C23 C22 147.4(4) . . . . ? C21 Ru2 C23 C22 37.67(16) . . . . ? C20 Ru2 C23 C22 80.24(17) . . . . ? C19 Ru2 C23 C22 117.8(2) . . . . ? C16 Ru2 C23 C22 -42.4(3) . . . . ? C14 Ru2 C23 C22 -168.46(15) . . . . ? C18 Ru2 C23 C22 -125.54(16) . . . . ? C17 Ru2 C23 C22 -82.80(18) . . . . ? C15 Ru2 C23 C19 29.6(5) . . . . ? C21 Ru2 C23 C19 -80.13(18) . . . . ? C20 Ru2 C23 C19 -37.56(16) . . . . ? C16 Ru2 C23 C19 -160.2(2) . . . . ? C14 Ru2 C23 C19 73.7(2) . . . . ? C22 Ru2 C23 C19 -117.8(2) . . . . ? C18 Ru2 C23 C19 116.65(17) . . . . ? C17 Ru2 C23 C19 159.40(16) . . . . ? F6 P2 F5 F5 -16.0(6) 2_554 . . 2_554 ? F6 P2 F5 F5 169.1(4) . . . 2_554 ? F6A P2 F5 F5 -98(18) 2_554 . . 2_554 ? F6A P2 F5 F5 177.9(4) . . . 2_554 ? F4 P2 F5 F5 79.4(4) 2_554 . . 2_554 ? F4 P2 F5 F5 -100.7(4) . . . 2_554 ? F5A P2 F5 F5 161.1(6) . . . 2_554 ? F5A P2 F5 F5 -12.9(4) 2_554 . . 2_554 ? F6 P2 F6A F6A 7.4(4) 2_554 . . 2_554 ? F6 P2 F6A F6A -169.2(6) . . . 2_554 ? F5 P2 F6A F6A 177.9(3) . . . 2_554 ? F5 P2 F6A F6A -85(19) 2_554 . . 2_554 ? F4 P2 F6A F6A -82.8(4) 2_554 . . 2_554 ? F4 P2 F6A F6A 97.0(4) . . . 2_554 ? F5A P2 F6A F6A -170.6(4) . . . 2_554 ? F5A P2 F6A F6A 13.7(6) 2_554 . . 2_554 ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.463 _refine_diff_density_min -0.453 _refine_diff_density_rms 0.080