data_01506 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'Ru C54 H32 N8, 2(P F6)' _chemical_formula_sum 'C54 H32 F12 N8 P2 Ru' _chemical_formula_weight 1183.89 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0015 0.0009 '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' 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0096 0.0061 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.0667 0.0580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -5.3630 3.6506 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.372(3) _cell_length_b 20.469(8) _cell_length_c 20.794(8) _cell_angle_alpha 60.595(8) _cell_angle_beta 71.780(16) _cell_angle_gamma 86.394(17) _cell_volume 5032(3) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used 932 _cell_measurement_theta_min 4.816 _cell_measurement_theta_max 31.730 _exptl_crystal_description needle _exptl_crystal_colour orange _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.005 _exptl_crystal_size_min 0.003 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.563 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2376 _exptl_absorpt_coefficient_mu 0.253 _exptl_absorpt_correction_type multi-scans _exptl_absorpt_correction_T_min 0.9801 _exptl_absorpt_correction_T_max 0.9992 _exptl_absorpt_process_details 'SADABS, R. Blessing (1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 123(2) _diffrn_radiation_wavelength 0.56356 _diffrn_radiation_type ~AgK\a _diffrn_radiation_source synchrotron _diffrn_radiation_monochromator 'Diamond 1 1 1' _diffrn_measurement_device_type 'Kappa, Bruker' _diffrn_measurement_method phi-scans _diffrn_detector '2 x 2 array of 1K CCD plates' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 63137 _diffrn_reflns_av_R_equivalents 0.1195 _diffrn_reflns_av_sigmaI/netI 0.1851 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 0.93 _diffrn_reflns_theta_max 20.17 _reflns_number_total 17098 _reflns_number_gt 6460 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'KappaSmart at ChemMatCARS' _computing_cell_refinement 'SAINT, Bruker' _computing_data_reduction 'SAINT, Bruker' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1623P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 17098 _refine_ls_number_parameters 1287 _refine_ls_number_restraints 418 _refine_ls_R_factor_all 0.2022 _refine_ls_R_factor_gt 0.0980 _refine_ls_wR_factor_ref 0.3050 _refine_ls_wR_factor_gt 0.2576 _refine_ls_goodness_of_fit_ref 0.916 _refine_ls_restrained_S_all 0.926 _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 Ru1A Ru 0.80139(9) 0.22797(7) 0.42301(7) 0.0502(4) Uani 1 1 d D . . N1A N 0.9424(6) 0.2005(4) 0.3877(5) 0.071(4) Uani 1 1 d D . . N2A N 0.7975(6) 0.2204(4) 0.3285(4) 0.061(3) Uani 1 1 d D . . C1A C 1.0137(9) 0.1931(9) 0.4168(8) 0.086(5) Uani 1 1 d D . . H1A H 1.0035 0.2045 0.4574 0.103 Uiso 1 1 calc R . . C2A C 1.1053(10) 0.1689(10) 0.3907(9) 0.098(6) Uani 1 1 d D . . H2A H 1.1543 0.1634 0.4143 0.118 Uiso 1 1 calc R . . C3A C 1.1227(9) 0.1533(10) 0.3304(9) 0.093(6) Uani 1 1 d D . . H3A H 1.1846 0.1393 0.3104 0.112 Uiso 1 1 calc R . . C4A C 1.0460(9) 0.1589(8) 0.2997(8) 0.084(5) Uani 1 1 d D . . C5A C 1.0536(10) 0.1414(9) 0.2391(8) 0.078(5) Uani 1 1 d D . . H5A H 1.1118 0.1227 0.2203 0.093 Uiso 1 1 calc R . . C6A C 0.9807(9) 0.1508(8) 0.2080(8) 0.073(4) Uani 1 1 d D . . H6A H 0.9883 0.1399 0.1673 0.088 Uiso 1 1 calc R . . C7A C 0.8927(9) 0.1771(9) 0.2374(7) 0.084(5) Uani 1 1 d D . . C8A C 0.8097(10) 0.1864(10) 0.2107(8) 0.090(6) Uani 1 1 d D . . H8A H 0.8127 0.1760 0.1704 0.108 Uiso 1 1 calc R . . C9A C 0.7258(12) 0.2103(10) 0.2429(9) 0.103(7) Uani 1 1 d D . . H9A H 0.6706 0.2166 0.2253 0.124 Uiso 1 1 calc R . . C10A C 0.7232(8) 0.2257(7) 0.3039(6) 0.063(4) Uani 1 1 d D . . H10A H 0.6643 0.2405 0.3274 0.076 Uiso 1 1 calc R . . C11A C 0.8798(7) 0.1926(7) 0.2980(6) 0.069(4) Uani 1 1 d D . . C12A C 0.9581(8) 0.1861(7) 0.3284(7) 0.064(4) Uani 1 1 d D . . N3A N 0.7349(6) 0.1161(4) 0.4949(4) 0.055(3) Uani 1 1 d D . . N4A N 0.6544(5) 0.2437(4) 0.4592(4) 0.045(2) Uani 1 1 d D . . C13A C 0.7805(9) 0.0539(5) 0.5094(8) 0.074(4) Uani 1 1 d D . . H13A H 0.8493 0.0588 0.4838 0.089 Uiso 1 1 calc R . . C14A C 0.7296(10) -0.0181(6) 0.5612(10) 0.095(6) Uani 1 1 d D . . H14A H 0.7642 -0.0615 0.5735 0.114 Uiso 1 1 calc R . . C15A C 0.6286(12) -0.0257(7) 0.5944(10) 0.119(8) Uani 1 1 d D . . H15A H 0.5929 -0.0745 0.6279 0.142 Uiso 1 1 calc R . . C16A C 0.5779(9) 0.0400(6) 0.5782(8) 0.078(5) Uani 1 1 d D . . C17A C 0.4748(11) 0.0376(8) 0.6131(10) 0.112(7) Uani 1 1 d D . . H17A H 0.4366 -0.0094 0.6516 0.135 Uiso 1 1 calc R . . C18A C 0.4312(10) 0.1024(8) 0.5914(9) 0.097(6) Uani 1 1 d D . . H18A H 0.3614 0.1004 0.6090 0.117 Uiso 1 1 calc R . . C19A C 0.4922(8) 0.1764(6) 0.5403(7) 0.064(4) Uani 1 1 d D . . C20A C 0.4512(7) 0.2463(7) 0.5191(7) 0.067(4) Uani 1 1 d D . . H20A H 0.3823 0.2479 0.5384 0.081 Uiso 1 1 calc R . . C21A C 0.5151(8) 0.3120(6) 0.4692(7) 0.057(4) Uani 1 1 d D . . H21A H 0.4901 0.3594 0.4557 0.068 Uiso 1 1 calc R . . C22A C 0.6140(7) 0.3096(5) 0.4391(6) 0.047(3) Uani 1 1 d D . . H22A H 0.6555 0.3556 0.4030 0.056 Uiso 1 1 calc R . . C23A C 0.5911(7) 0.1775(5) 0.5086(7) 0.053(3) Uani 1 1 d D . . C24A C 0.6379(8) 0.1098(5) 0.5277(7) 0.057(3) Uani 1 1 d D . . N5A N 0.8185(5) 0.2403(4) 0.5114(4) 0.050(3) Uani 1 1 d D . . N6A N 0.8527(5) 0.3427(4) 0.3619(4) 0.052(3) Uani 1 1 d D . . N7A N 0.8632(7) 0.4361(4) 0.5696(4) 0.045(2) Uani 1 1 d D . . N8A N 0.8897(7) 0.5454(4) 0.4116(4) 0.051(3) Uani 1 1 d D . . C25A C 0.8101(10) 0.1881(6) 0.5829(6) 0.060(4) Uani 1 1 d D . . H25A H 0.7996 0.1369 0.5966 0.072 Uiso 1 1 calc R . . C26A C 0.8157(12) 0.2032(6) 0.6414(6) 0.076(5) Uani 1 1 d D . . H26A H 0.8070 0.1638 0.6932 0.091 Uiso 1 1 calc R . . C27A C 0.8347(11) 0.2791(6) 0.6191(6) 0.065(4) Uani 1 1 d D . . H27A H 0.8401 0.2920 0.6559 0.078 Uiso 1 1 calc R . . C28A C 0.8457(9) 0.3357(5) 0.5422(5) 0.049(3) Uani 1 1 d D . . C29A C 0.8654(8) 0.4170(5) 0.5143(5) 0.047(3) Uani 1 1 d D . . C30A C 0.8764(9) 0.5103(5) 0.5446(5) 0.053(3) Uani 1 1 d D . . C31A C 0.8867(9) 0.5649(5) 0.4647(5) 0.057(4) Uani 1 1 d D . . C32A C 0.8771(9) 0.4698(5) 0.4382(5) 0.051(3) Uani 1 1 d D . . C33A C 0.8758(8) 0.4461(5) 0.3827(5) 0.045(3) Uani 1 1 d D . . C34A C 0.8938(10) 0.4964(5) 0.3021(5) 0.055(3) Uani 1 1 d D . . H34A H 0.9075 0.5491 0.2812 0.066 Uiso 1 1 calc R . . C35A C 0.8913(9) 0.4687(5) 0.2537(5) 0.058(4) Uani 1 1 d D . . H35A H 0.9020 0.5020 0.1998 0.070 Uiso 1 1 calc R . . C36A C 0.8728(9) 0.3910(6) 0.2857(5) 0.060(4) Uani 1 1 d D . . H36A H 0.8746 0.3717 0.2520 0.072 Uiso 1 1 calc R . . C37A C 0.8560(8) 0.3700(5) 0.4094(5) 0.046(3) Uani 1 1 d D . . C38A C 0.8377(8) 0.3159(5) 0.4905(5) 0.049(3) Uani 1 1 d D . . C39A C 0.8753(9) 0.5301(5) 0.6014(5) 0.055(3) Uani 1 1 d D . . C40A C 0.8679(9) 0.5417(7) 0.6535(6) 0.059(4) Uani 1 1 d D . . C41A C 0.8540(9) 0.5570(6) 0.7174(6) 0.060(4) Uani 1 1 d D . . C42A C 0.8608(10) 0.5006(7) 0.7889(6) 0.065(4) Uani 1 1 d D . . H42A H 0.8791 0.4528 0.7958 0.078 Uiso 1 1 calc R . . C43A C 0.8404(12) 0.5158(9) 0.8490(7) 0.083(5) Uani 1 1 d D . . H43A H 0.8409 0.4766 0.8988 0.099 Uiso 1 1 calc R . . C44A C 0.8194(14) 0.5853(10) 0.8397(9) 0.107(7) Uani 1 1 d D . . H44A H 0.8094 0.5952 0.8814 0.128 Uiso 1 1 calc R . . C45A C 0.8131(18) 0.6397(9) 0.7704(10) 0.119(8) Uani 1 1 d D . . H45A H 0.7973 0.6877 0.7643 0.142 Uiso 1 1 calc R . . C46A C 0.8287(13) 0.6280(7) 0.7081(8) 0.081(5) Uani 1 1 d D . . H46A H 0.8224 0.6669 0.6602 0.097 Uiso 1 1 calc R . . C47A C 0.8950(11) 0.6438(6) 0.4410(6) 0.067(4) Uani 1 1 d D . . C48A C 0.8939(11) 0.7079(7) 0.4258(8) 0.075(5) Uani 1 1 d D . . C49A C 0.8892(9) 0.7872(6) 0.4076(7) 0.060(4) Uani 1 1 d D . . C50A C 0.8245(11) 0.8056(7) 0.4583(8) 0.082(5) Uani 1 1 d D . . H50A H 0.7843 0.7671 0.5077 0.098 Uiso 1 1 calc R . . C51A C 0.8172(12) 0.8819(8) 0.4373(9) 0.089(5) Uani 1 1 d D . . H51A H 0.7659 0.8945 0.4697 0.107 Uiso 1 1 calc R . . C52A C 0.8837(12) 0.9393(8) 0.3698(10) 0.096(6) Uani 1 1 d D . . H52A H 0.8794 0.9909 0.3556 0.115 Uiso 1 1 calc R . . C53A C 0.9526(18) 0.9183(8) 0.3270(12) 0.158(12) Uani 1 1 d D . . H53A H 1.0012 0.9562 0.2826 0.190 Uiso 1 1 calc R . . C54A C 0.9588(16) 0.8428(9) 0.3430(11) 0.140(10) Uani 1 1 d D . . H54A H 1.0098 0.8306 0.3098 0.169 Uiso 1 1 calc R . . Ru1B Ru 0.60008(9) 0.26313(7) 0.87621(6) 0.0467(4) Uani 1 1 d D . . N1B N 0.4499(6) 0.2480(4) 0.9340(4) 0.057(3) Uani 1 1 d D . . N2B N 0.6002(6) 0.2722(4) 0.9707(4) 0.052(3) Uani 1 1 d D . . C1B C 0.3772(8) 0.2346(7) 0.9153(6) 0.058(4) Uani 1 1 d D . . H1B H 0.3925 0.2315 0.8691 0.070 Uiso 1 1 calc R . . C2B C 0.2768(9) 0.2245(8) 0.9605(7) 0.077(5) Uani 1 1 d D . . H2B H 0.2269 0.2104 0.9472 0.092 Uiso 1 1 calc R . . C3B C 0.2522(8) 0.2352(8) 1.0244(8) 0.070(4) Uani 1 1 d D . . H3B H 0.1853 0.2331 1.0529 0.083 Uiso 1 1 calc R . . C4B C 0.3292(8) 0.2493(8) 1.0460(7) 0.065(4) Uani 1 1 d D . . C5B C 0.3133(9) 0.2579(9) 1.1133(7) 0.086(6) Uani 1 1 d D . . H5B H 0.2476 0.2530 1.1457 0.103 Uiso 1 1 calc R . . C6B C 0.3885(9) 0.2727(8) 1.1319(7) 0.072(4) Uani 1 1 d D . . H6B H 0.3759 0.2795 1.1757 0.086 Uiso 1 1 calc R . . C7B C 0.4867(8) 0.2779(8) 1.0846(6) 0.059(4) Uani 1 1 d D . . C8B C 0.5717(10) 0.2921(9) 1.0998(7) 0.077(5) Uani 1 1 d D . . H8B H 0.5636 0.2977 1.1438 0.092 Uiso 1 1 calc R . . C9B C 0.6647(10) 0.2976(8) 1.0511(7) 0.076(5) Uani 1 1 d D . . H9B H 0.7212 0.3069 1.0610 0.091 Uiso 1 1 calc R . . C10B C 0.6747(8) 0.2889(8) 0.9846(6) 0.066(4) Uani 1 1 d D . . H10B H 0.7389 0.2958 0.9493 0.080 Uiso 1 1 calc R . . C11B C 0.5068(7) 0.2687(7) 1.0193(6) 0.048(3) Uani 1 1 d D . . C12B C 0.4278(8) 0.2543(7) 0.9989(6) 0.059(4) Uani 1 1 d D . . N3B N 0.6221(6) 0.1492(4) 0.9377(4) 0.054(3) Uani 1 1 d D . . N4B N 0.7515(5) 0.2673(4) 0.8308(4) 0.050(3) Uani 1 1 d D . . C13B C 0.5555(9) 0.0933(6) 0.9983(7) 0.064(4) Uani 1 1 d D . . H13B H 0.4908 0.1042 1.0173 0.077 Uiso 1 1 calc R . . C14B C 0.5787(10) 0.0191(7) 1.0344(8) 0.076(5) Uani 1 1 d D . . H14B H 0.5314 -0.0193 1.0794 0.091 Uiso 1 1 calc R . . C15B C 0.6707(11) 0.0021(7) 1.0042(8) 0.078(5) Uani 1 1 d D . . H15B H 0.6855 -0.0488 1.0258 0.094 Uiso 1 1 calc R . . C16B C 0.7438(9) 0.0612(7) 0.9405(7) 0.081(5) Uani 1 1 d D . . C17B C 0.8427(11) 0.0499(8) 0.9094(9) 0.098(6) Uani 1 1 d D . . H17B H 0.8606 0.0002 0.9247 0.117 Uiso 1 1 calc R . . C18B C 0.9117(11) 0.1101(8) 0.8578(9) 0.097(6) Uani 1 1 d D . . H18B H 0.9790 0.1026 0.8419 0.117 Uiso 1 1 calc R . . C19B C 0.8822(8) 0.1877(6) 0.8264(7) 0.065(4) Uani 1 1 d D . . C20B C 0.9511(7) 0.2530(7) 0.7726(7) 0.065(4) Uani 1 1 d D . . H20B H 1.0196 0.2491 0.7550 0.078 Uiso 1 1 calc R . . C21B C 0.9148(8) 0.3226(7) 0.7467(6) 0.061(4) Uani 1 1 d D . . H21B H 0.9582 0.3668 0.7074 0.073 Uiso 1 1 calc R . . C22B C 0.8173(7) 0.3285(5) 0.7771(6) 0.055(3) Uani 1 1 d D . . H22B H 0.7952 0.3772 0.7598 0.066 Uiso 1 1 calc R . . C23B C 0.7859(7) 0.1970(5) 0.8540(6) 0.054(3) Uani 1 1 d D . . C24B C 0.7134(8) 0.1345(6) 0.9118(6) 0.056(3) Uani 1 1 d D . . N5B N 0.5887(5) 0.2596(4) 0.7815(4) 0.041(2) Uani 1 1 d D . . N6B N 0.5944(5) 0.3775(4) 0.8023(4) 0.046(3) Uani 1 1 d D . . N7B N 0.6104(8) 0.4260(4) 0.5115(4) 0.048(3) Uani 1 1 d D . . N8B N 0.6340(7) 0.5514(4) 0.5307(4) 0.044(2) Uani 1 1 d D . . C25B C 0.5776(11) 0.2004(6) 0.7749(6) 0.059(4) Uani 1 1 d D . . H25B H 0.5717 0.1520 0.8191 0.071 Uiso 1 1 calc R . . C26B C 0.5740(12) 0.2042(6) 0.7058(6) 0.063(4) Uani 1 1 d D . . H26B H 0.5678 0.1599 0.7028 0.076 Uiso 1 1 calc R . . C27B C 0.5798(11) 0.2763(6) 0.6421(6) 0.062(4) Uani 1 1 d D . . H27B H 0.5747 0.2818 0.5952 0.074 Uiso 1 1 calc R . . C28B C 0.5933(9) 0.3404(5) 0.6478(5) 0.042(3) Uani 1 1 d D . . C29B C 0.6047(8) 0.4184(5) 0.5822(5) 0.043(3) Uani 1 1 d D . . C30B C 0.6284(8) 0.4969(5) 0.4507(5) 0.043(3) Uani 1 1 d D . . C31B C 0.6389(8) 0.5598(5) 0.4619(5) 0.039(3) Uani 1 1 d D . . C32B C 0.6159(8) 0.4789(5) 0.5915(5) 0.042(3) Uani 1 1 d D . . C33B C 0.6122(8) 0.4671(5) 0.6675(5) 0.040(3) Uani 1 1 d D . . C34B C 0.6157(9) 0.5263(5) 0.6837(5) 0.045(3) Uani 1 1 d D . . H34B H 0.6257 0.5774 0.6430 0.054 Uiso 1 1 calc R . . C35B C 0.6044(9) 0.5096(5) 0.7590(5) 0.047(3) Uani 1 1 d D . . H35B H 0.6032 0.5489 0.7712 0.057 Uiso 1 1 calc R . . C36B C 0.5949(9) 0.4342(6) 0.8168(6) 0.051(3) Uani 1 1 d D . . H36B H 0.5885 0.4228 0.8682 0.062 Uiso 1 1 calc R . . C37B C 0.5994(8) 0.3939(5) 0.7291(5) 0.040(3) Uani 1 1 d D . . C38B C 0.5962(7) 0.3313(5) 0.7164(5) 0.034(3) Uani 1 1 d D . . C39B C 0.6321(8) 0.5051(5) 0.3780(5) 0.044(3) Uani 1 1 d D . . C40B C 0.6449(8) 0.5108(6) 0.3159(6) 0.045(3) Uani 1 1 d D . . C41B C 0.6605(9) 0.5131(6) 0.2418(5) 0.049(3) Uani 1 1 d D . . C42B C 0.6240(9) 0.4523(7) 0.2408(6) 0.057(4) Uani 1 1 d D . . H42B H 0.5856 0.4098 0.2878 0.068 Uiso 1 1 calc R . . C43B C 0.6446(11) 0.4549(8) 0.1704(7) 0.072(4) Uani 1 1 d D . . H43B H 0.6167 0.4150 0.1689 0.087 Uiso 1 1 calc R . . C44B C 0.7040(12) 0.5131(9) 0.1023(7) 0.076(5) Uani 1 1 d D . . H44B H 0.7190 0.5127 0.0547 0.091 Uiso 1 1 calc R . . C45B C 0.7409(14) 0.5710(9) 0.1040(7) 0.093(6) Uani 1 1 d D . . H45B H 0.7818 0.6116 0.0565 0.111 Uiso 1 1 calc R . . C46B C 0.7215(11) 0.5735(7) 0.1719(6) 0.071(4) Uani 1 1 d D . . H46B H 0.7486 0.6148 0.1717 0.085 Uiso 1 1 calc R . . C47B C 0.6622(9) 0.6345(6) 0.3951(6) 0.054(3) Uani 1 1 d D . . C48B C 0.6868(10) 0.6959(7) 0.3393(7) 0.063(4) Uani 1 1 d D . . C49B C 0.7219(10) 0.7710(6) 0.2691(6) 0.068(4) Uani 1 1 d D . . C50B C 0.7893(10) 0.7790(7) 0.2023(7) 0.070(4) Uani 1 1 d D . . H50B H 0.8094 0.7358 0.1982 0.084 Uiso 1 1 calc R . . C51B C 0.8292(13) 0.8516(11) 0.1395(8) 0.122(9) Uani 1 1 d D . . H51B H 0.8795 0.8567 0.0944 0.146 Uiso 1 1 calc R . . C52B C 0.7967(17) 0.9163(9) 0.1418(10) 0.128(9) Uani 1 1 d D . . H52B H 0.8255 0.9654 0.1003 0.154 Uiso 1 1 calc R . . C53B C 0.724(2) 0.9059(9) 0.2043(12) 0.191(16) Uani 1 1 d D . . H53B H 0.6987 0.9491 0.2061 0.229 Uiso 1 1 calc R . . C54B C 0.6816(16) 0.8339(9) 0.2691(9) 0.148(11) Uani 1 1 d D . . H54B H 0.6265 0.8292 0.3115 0.178 Uiso 1 1 calc R . . P1 P 0.6811(4) -0.0155(3) 0.7873(3) 0.0895(14) Uiso 1 1 d . . . F1 F 0.6544(9) 0.0437(7) 0.8135(7) 0.122(4) Uiso 1 1 d . . . F2 F 0.7886(13) 0.0217(9) 0.7451(9) 0.179(6) Uiso 1 1 d . . . F3 F 0.7099(10) -0.0743(7) 0.7580(7) 0.135(4) Uiso 1 1 d . . . F4 F 0.5707(10) -0.0539(8) 0.8273(8) 0.142(5) Uiso 1 1 d . . . F5 F 0.6923(12) -0.0696(9) 0.8681(9) 0.174(6) Uiso 1 1 d . . . F6 F 0.6586(8) 0.0409(6) 0.7095(6) 0.109(3) Uiso 1 1 d . . . P2 P 0.5827(3) 0.75322(19) 0.6627(2) 0.0500(8) Uiso 1 1 d . . . F7 F 0.5189(6) 0.7963(5) 0.7040(5) 0.080(2) Uiso 1 1 d . . . F8 F 0.5708(7) 0.6806(5) 0.7459(5) 0.083(3) Uiso 1 1 d . . . F9 F 0.6458(6) 0.7108(5) 0.6203(5) 0.074(2) Uiso 1 1 d . . . F10 F 0.5953(7) 0.8245(5) 0.5807(5) 0.086(3) Uiso 1 1 d . . . F11 F 0.6776(7) 0.7865(5) 0.6649(6) 0.095(3) Uiso 1 1 d . . . F12 F 0.4879(7) 0.7214(5) 0.6586(5) 0.092(3) Uiso 1 1 d . . . P3 P 0.5000 0.5000 1.0000 0.0699(16) Uiso 1 2 d S . . F13 F 0.4750(9) 0.4413(6) 0.9774(6) 0.114(3) Uiso 1 1 d . . . F14 F 0.5359(7) 0.5605(5) 0.9097(6) 0.095(3) Uiso 1 1 d . . . F15 F 0.3949(9) 0.5273(7) 1.0070(7) 0.122(4) Uiso 1 1 d . . . P4 P -0.0702(7) 0.1281(5) 1.0329(5) 0.088(2) Uiso 0.50 1 d PD A 1 F16 F -0.1084(15) 0.1968(9) 1.0455(12) 0.126(6) Uiso 0.50 1 d PD A 1 F17 F -0.1069(16) 0.0717(10) 1.1243(7) 0.131(6) Uiso 0.50 1 d PD A 1 F18 F -0.0314(14) 0.0612(8) 1.0177(11) 0.111(5) Uiso 0.50 1 d PD A 1 F19 F -0.0346(18) 0.1821(11) 0.9409(7) 0.169(8) Uiso 0.50 1 d PD A 1 F20 F 0.0341(11) 0.1447(14) 1.0351(15) 0.193(10) Uiso 0.50 1 d PD A 1 F21 F -0.1755(10) 0.1112(12) 1.0316(12) 0.139(6) Uiso 0.50 1 d PD A 1 P4D P -0.0203(7) 0.2962(5) 0.9476(5) 0.088(2) Uiso 0.50 1 d PD B 2 F16D F -0.1009(13) 0.2779(11) 1.0268(8) 0.126(6) Uiso 0.50 1 d PD B 2 F17D F 0.0112(15) 0.3754(8) 0.9361(12) 0.131(6) Uiso 0.50 1 d PD B 2 F18D F 0.0542(12) 0.3297(10) 0.8623(7) 0.111(5) Uiso 0.50 1 d PD B 2 F19D F -0.0494(18) 0.2258(10) 0.9436(14) 0.169(8) Uiso 0.50 1 d PD B 2 F20D F 0.0599(15) 0.2576(14) 0.9861(13) 0.193(10) Uiso 0.50 1 d PD B 2 F21D F -0.0924(13) 0.3390(11) 0.9001(11) 0.139(6) Uiso 0.50 1 d PD B 2 P5 P 0.0260(8) 0.6004(6) 0.9516(6) 0.089(3) Uiso 0.50 1 d PD C -1 F22 F 0.090(2) 0.5325(15) 0.971(2) 0.36(3) Uiso 0.50 1 d PD C -1 F23 F 0.0678(16) 0.6332(13) 0.8619(7) 0.136(9) Uiso 0.50 1 d PD C -1 F24 F -0.041(2) 0.6669(14) 0.9285(19) 0.257(19) Uiso 0.50 1 d PD C -1 F25 F -0.0131(19) 0.5646(15) 1.0434(7) 0.161(11) Uiso 0.50 1 d PD C -1 F26 F -0.0648(18) 0.5531(15) 0.9617(17) 0.201(14) Uiso 0.50 1 d PD C -1 F27 F 0.122(2) 0.646(2) 0.937(2) 0.33(3) Uiso 0.50 1 d PD C -1 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 Ru1A 0.0456(8) 0.0611(9) 0.0516(8) -0.0327(7) -0.0186(6) 0.0129(6) N1A 0.076(10) 0.079(9) 0.063(8) -0.043(7) -0.018(7) 0.021(7) N2A 0.048(8) 0.074(8) 0.054(7) -0.031(6) -0.011(6) 0.021(6) C1A 0.068(13) 0.125(15) 0.106(14) -0.075(12) -0.057(10) 0.050(10) C2A 0.063(13) 0.151(18) 0.123(16) -0.093(15) -0.046(11) 0.039(11) C3A 0.055(12) 0.146(18) 0.112(15) -0.084(14) -0.038(10) 0.029(10) C4A 0.083(13) 0.091(13) 0.075(11) -0.044(10) -0.022(9) 0.030(9) C5A 0.062(11) 0.105(13) 0.086(12) -0.066(11) -0.024(9) 0.040(9) C6A 0.048(10) 0.090(12) 0.096(12) -0.060(10) -0.019(9) 0.015(8) C7A 0.065(12) 0.132(16) 0.071(11) -0.062(11) -0.019(9) 0.000(10) C8A 0.096(15) 0.121(16) 0.079(12) -0.065(12) -0.038(10) 0.033(11) C9A 0.129(19) 0.138(18) 0.110(15) -0.090(14) -0.085(13) 0.073(14) C10A 0.072(11) 0.064(10) 0.055(9) -0.030(8) -0.021(8) 0.016(7) C11A 0.057(10) 0.086(11) 0.059(9) -0.036(9) -0.009(7) -0.011(8) C12A 0.063(11) 0.079(11) 0.065(9) -0.045(9) -0.025(8) 0.014(7) N3A 0.071(9) 0.050(7) 0.063(7) -0.034(6) -0.037(6) 0.019(6) N4A 0.047(7) 0.056(7) 0.045(6) -0.034(5) -0.018(5) 0.016(5) C13A 0.080(12) 0.063(11) 0.089(12) -0.042(10) -0.036(9) 0.020(9) C14A 0.130(18) 0.066(12) 0.118(17) -0.054(12) -0.067(14) 0.038(12) C15A 0.22(3) 0.039(10) 0.094(15) -0.029(10) -0.050(17) -0.010(14) C16A 0.103(15) 0.051(10) 0.075(11) -0.028(9) -0.027(10) 0.006(9) C17A 0.118(19) 0.076(14) 0.101(16) -0.028(12) -0.006(13) -0.013(12) C18A 0.078(14) 0.112(16) 0.068(12) -0.030(11) -0.001(9) -0.031(11) C19A 0.048(10) 0.089(12) 0.058(9) -0.037(9) -0.021(7) 0.004(8) C20A 0.044(9) 0.101(13) 0.059(9) -0.043(9) -0.016(7) 0.014(8) C21A 0.066(11) 0.093(11) 0.063(9) -0.064(9) -0.046(8) 0.036(8) C22A 0.048(8) 0.060(9) 0.049(8) -0.038(7) -0.019(6) 0.007(6) C23A 0.059(10) 0.049(8) 0.054(8) -0.029(7) -0.017(7) 0.000(7) C24A 0.067(11) 0.056(9) 0.056(9) -0.032(7) -0.023(7) 0.015(7) N5A 0.042(7) 0.068(8) 0.046(6) -0.033(6) -0.016(5) 0.008(5) N6A 0.027(6) 0.095(9) 0.036(6) -0.029(6) -0.016(4) 0.009(5) N7A 0.034(6) 0.053(7) 0.043(6) -0.019(5) -0.014(4) 0.000(4) N8A 0.036(6) 0.068(8) 0.053(7) -0.032(6) -0.013(5) 0.003(5) C25A 0.070(11) 0.043(8) 0.063(9) -0.022(7) -0.026(7) 0.004(6) C26A 0.091(13) 0.077(12) 0.071(11) -0.036(9) -0.040(9) -0.003(9) C27A 0.076(11) 0.076(11) 0.047(8) -0.029(8) -0.027(7) 0.009(8) C28A 0.045(8) 0.061(9) 0.039(7) -0.023(7) -0.010(6) -0.008(6) C29A 0.030(7) 0.077(10) 0.038(7) -0.029(7) -0.014(5) 0.003(6) C30A 0.040(8) 0.066(10) 0.047(8) -0.027(7) -0.009(6) 0.004(6) C31A 0.033(8) 0.066(10) 0.056(9) -0.029(8) 0.008(6) -0.013(6) C32A 0.035(8) 0.055(9) 0.057(8) -0.024(7) -0.010(6) -0.007(6) C33A 0.016(6) 0.072(9) 0.046(7) -0.030(7) -0.009(5) 0.002(5) C34A 0.060(10) 0.051(8) 0.043(8) -0.018(7) -0.011(6) -0.005(6) C35A 0.040(9) 0.072(10) 0.055(8) -0.021(8) -0.019(6) -0.011(6) C36A 0.050(9) 0.088(11) 0.051(8) -0.044(8) -0.008(6) -0.009(7) C37A 0.040(8) 0.064(9) 0.038(7) -0.026(6) -0.020(5) 0.009(6) C38A 0.052(9) 0.057(9) 0.049(8) -0.027(7) -0.029(6) 0.019(6) C39A 0.043(8) 0.069(10) 0.050(8) -0.030(7) -0.010(6) -0.007(6) C40A 0.039(8) 0.080(10) 0.064(9) -0.041(8) -0.014(6) -0.003(7) C41A 0.033(8) 0.085(11) 0.058(9) -0.037(8) -0.007(6) -0.004(7) C42A 0.047(10) 0.085(11) 0.058(9) -0.036(9) -0.005(7) -0.009(7) C43A 0.070(12) 0.128(16) 0.055(10) -0.044(10) -0.028(8) 0.004(10) C44A 0.110(17) 0.127(18) 0.117(18) -0.096(16) -0.018(13) 0.010(13) C45A 0.18(2) 0.102(16) 0.087(14) -0.061(13) -0.052(15) 0.075(15) C46A 0.091(14) 0.074(12) 0.088(12) -0.048(10) -0.033(10) 0.021(9) C47A 0.087(12) 0.052(10) 0.062(10) -0.029(8) -0.025(8) 0.004(8) C48A 0.068(11) 0.106(15) 0.062(10) -0.056(10) -0.009(8) -0.002(9) C49A 0.049(9) 0.062(10) 0.055(9) -0.031(8) 0.002(7) 0.008(7) C50A 0.080(13) 0.078(12) 0.065(11) -0.022(9) -0.013(9) -0.011(9) C51A 0.088(14) 0.107(15) 0.082(12) -0.062(12) -0.014(10) 0.020(11) C52A 0.078(12) 0.061(11) 0.107(15) -0.039(11) 0.018(11) -0.004(9) C53A 0.19(3) 0.087(17) 0.116(19) -0.043(14) 0.039(17) 0.003(16) C54A 0.20(3) 0.082(15) 0.103(16) -0.064(13) 0.034(16) -0.005(15) Ru1B 0.0566(9) 0.0511(8) 0.0331(7) -0.0204(6) -0.0147(6) -0.0021(6) N1B 0.082(9) 0.052(7) 0.041(6) -0.022(6) -0.025(6) 0.003(6) N2B 0.059(8) 0.059(7) 0.031(6) -0.010(5) -0.023(5) -0.009(5) C1B 0.062(10) 0.059(9) 0.043(8) -0.017(7) -0.017(7) -0.001(7) C2B 0.098(14) 0.054(10) 0.057(10) -0.011(8) -0.024(9) -0.013(8) C3B 0.052(10) 0.070(10) 0.081(11) -0.042(9) -0.008(8) 0.006(7) C4B 0.063(11) 0.071(11) 0.059(9) -0.030(8) -0.020(7) 0.001(7) C5B 0.119(16) 0.070(11) 0.048(9) -0.034(9) 0.009(9) 0.000(10) C6B 0.090(13) 0.067(11) 0.064(10) -0.040(9) -0.016(9) -0.004(8) C7B 0.061(10) 0.065(10) 0.048(8) -0.025(7) -0.018(7) 0.006(7) C8B 0.119(15) 0.075(11) 0.043(8) -0.036(8) -0.021(9) 0.003(10) C9B 0.113(15) 0.069(11) 0.047(9) -0.028(8) -0.026(9) -0.006(9) C10B 0.078(11) 0.070(10) 0.045(8) -0.026(7) -0.010(7) -0.024(8) C11B 0.048(8) 0.059(8) 0.036(7) -0.024(6) -0.013(6) 0.008(6) C12B 0.080(11) 0.051(9) 0.042(8) -0.023(7) -0.014(7) 0.003(7) N3B 0.063(8) 0.059(7) 0.037(6) -0.019(6) -0.021(5) 0.006(6) N4B 0.042(7) 0.068(8) 0.034(6) -0.021(5) -0.010(5) -0.011(5) C13B 0.089(12) 0.046(9) 0.052(9) -0.017(7) -0.029(8) -0.006(7) C14B 0.072(12) 0.056(10) 0.064(10) 0.001(8) -0.028(8) -0.012(8) C15B 0.088(13) 0.064(11) 0.079(12) -0.034(9) -0.025(10) 0.007(9) C16B 0.061(12) 0.104(14) 0.070(11) -0.037(10) -0.018(8) 0.003(9) C17B 0.073(13) 0.086(14) 0.096(14) -0.022(11) -0.022(11) 0.016(10) C18B 0.072(13) 0.103(15) 0.090(14) -0.030(12) -0.025(10) 0.025(11) C19B 0.077(12) 0.060(10) 0.048(8) -0.022(7) -0.012(8) -0.005(8) C20B 0.027(8) 0.104(13) 0.077(10) -0.052(10) -0.023(7) 0.019(7) C21B 0.069(11) 0.075(11) 0.033(7) -0.022(7) -0.012(7) -0.013(8) C22B 0.075(11) 0.053(9) 0.040(7) -0.025(7) -0.021(7) 0.002(7) C23B 0.058(10) 0.058(9) 0.044(8) -0.023(7) -0.019(7) 0.013(7) C24B 0.073(11) 0.051(9) 0.049(8) -0.024(7) -0.030(7) 0.012(7) N5B 0.056(7) 0.031(5) 0.040(6) -0.020(5) -0.015(5) -0.003(4) N6B 0.054(7) 0.048(6) 0.031(5) -0.017(5) -0.008(5) -0.003(5) N7B 0.054(7) 0.047(7) 0.038(6) -0.020(5) -0.012(5) 0.003(5) N8B 0.044(6) 0.049(7) 0.037(6) -0.023(5) -0.007(4) 0.013(4) C25B 0.076(11) 0.057(9) 0.047(8) -0.022(7) -0.032(7) 0.009(7) C26B 0.119(13) 0.044(8) 0.042(8) -0.027(7) -0.037(8) 0.014(8) C27B 0.100(12) 0.045(8) 0.027(7) -0.009(6) -0.019(7) 0.012(7) C28B 0.053(8) 0.041(7) 0.034(6) -0.021(6) -0.017(5) 0.014(5) C29B 0.045(8) 0.047(8) 0.043(7) -0.028(6) -0.012(6) 0.010(5) C30B 0.047(8) 0.045(8) 0.035(6) -0.020(6) -0.012(5) 0.017(5) C31B 0.023(6) 0.044(7) 0.035(6) -0.011(6) -0.003(5) 0.004(5) C32B 0.038(7) 0.037(7) 0.041(7) -0.017(6) -0.005(5) 0.011(5) C33B 0.032(7) 0.051(8) 0.043(7) -0.030(6) -0.008(5) 0.008(5) C34B 0.042(8) 0.043(7) 0.051(8) -0.023(6) -0.018(6) 0.008(5) C35B 0.052(9) 0.050(8) 0.051(8) -0.037(7) -0.009(6) 0.002(6) C36B 0.053(9) 0.074(10) 0.046(8) -0.045(8) -0.011(6) -0.003(7) C37B 0.038(7) 0.042(7) 0.033(6) -0.014(6) -0.011(5) 0.002(5) C38B 0.035(7) 0.036(7) 0.038(6) -0.021(6) -0.017(5) 0.006(5) C39B 0.040(8) 0.051(8) 0.036(7) -0.024(6) -0.006(5) 0.009(5) C40B 0.028(7) 0.051(8) 0.050(8) -0.020(6) -0.015(5) 0.011(5) C41B 0.055(9) 0.054(8) 0.039(7) -0.024(6) -0.017(6) 0.016(6) C42B 0.047(9) 0.080(10) 0.049(8) -0.037(8) -0.013(6) 0.003(7) C43B 0.063(11) 0.086(12) 0.068(10) -0.046(10) -0.007(8) 0.003(8) C44B 0.085(13) 0.109(14) 0.047(9) -0.048(10) -0.022(8) 0.015(10) C45B 0.126(17) 0.082(13) 0.042(9) -0.017(9) -0.014(9) -0.004(11) C46B 0.097(12) 0.052(9) 0.042(8) -0.017(7) -0.004(8) -0.012(8) C47B 0.058(9) 0.047(8) 0.046(8) -0.018(7) -0.015(6) 0.013(6) C48B 0.059(10) 0.075(11) 0.053(9) -0.036(9) -0.011(7) 0.018(7) C49B 0.077(11) 0.058(10) 0.041(8) -0.011(7) -0.005(7) -0.004(8) C50B 0.047(9) 0.102(13) 0.056(9) -0.034(9) -0.016(7) 0.004(8) C51B 0.092(16) 0.17(2) 0.042(10) -0.008(13) -0.008(9) -0.061(15) C52B 0.17(3) 0.107(19) 0.083(16) -0.018(15) -0.061(16) -0.003(17) C53B 0.34(5) 0.054(14) 0.092(18) -0.006(13) -0.01(2) 0.012(19) C54B 0.25(3) 0.087(16) 0.083(15) -0.045(13) -0.019(17) 0.014(17) _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 Ru1A N5A 2.062(6) . ? Ru1A N2A 2.064(7) . ? Ru1A N1A 2.072(8) . ? Ru1A N4A 2.071(7) . ? Ru1A N6A 2.091(7) . ? Ru1A N3A 2.100(7) . ? N1A C1A 1.309(12) . ? N1A C12A 1.355(11) . ? N2A C10A 1.298(11) . ? N2A C11A 1.387(11) . ? C1A C2A 1.417(14) . ? C1A H1A 0.9500 . ? C2A C3A 1.385(15) . ? C2A H2A 0.9500 . ? C3A C4A 1.410(15) . ? C3A H3A 0.9500 . ? C4A C12A 1.425(14) . ? C4A C5A 1.442(15) . ? C5A C6A 1.351(15) . ? C5A H5A 0.9500 . ? C6A C7A 1.421(14) . ? C6A H6A 0.9500 . ? C7A C11A 1.400(13) . ? C7A C8A 1.432(15) . ? C8A C9A 1.373(16) . ? C8A H8A 0.9500 . ? C9A C10A 1.440(13) . ? C9A H9A 0.9500 . ? C10A H10A 0.9500 . ? C11A C12A 1.423(14) . ? N3A C24A 1.329(12) . ? N3A C13A 1.335(12) . ? N4A C22A 1.352(11) . ? N4A C23A 1.387(11) . ? C13A C14A 1.398(15) . ? C13A H13A 0.9500 . ? C14A C15A 1.379(16) . ? C14A H14A 0.9500 . ? C15A C16A 1.428(16) . ? C15A H15A 0.9500 . ? C16A C24A 1.415(14) . ? C16A C17A 1.423(17) . ? C17A C18A 1.358(17) . ? C17A H17A 0.9500 . ? C18A C19A 1.481(16) . ? C18A H18A 0.9500 . ? C19A C23A 1.364(13) . ? C19A C20A 1.423(14) . ? C20A C21A 1.385(14) . ? C20A H20A 0.9500 . ? C21A C22A 1.371(13) . ? C21A H21A 0.9500 . ? C22A H22A 0.9500 . ? C23A C24A 1.428(13) . ? N5A C25A 1.308(11) . ? N5A C38A 1.407(10) . ? N6A C36A 1.336(11) . ? N6A C37A 1.366(10) . ? N7A C30A 1.347(10) . ? N7A C29A 1.377(10) . ? N8A C31A 1.334(10) . ? N8A C32A 1.367(10) . ? C25A C26A 1.419(12) . ? C25A H25A 0.9500 . ? C26A C27A 1.402(13) . ? C26A H26A 0.9500 . ? C27A C28A 1.404(12) . ? C27A H27A 0.9500 . ? C28A C38A 1.358(11) . ? C28A C29A 1.480(12) . ? C29A C32A 1.370(11) . ? C30A C39A 1.419(12) . ? C30A C31A 1.441(12) . ? C31A C47A 1.438(12) . ? C32A C33A 1.459(11) . ? C33A C37A 1.386(11) . ? C33A C34A 1.416(11) . ? C34A C35A 1.386(12) . ? C34A H34A 0.9500 . ? C35A C36A 1.395(13) . ? C35A H35A 0.9500 . ? C36A H36A 0.9500 . ? C37A C38A 1.437(11) . ? C39A C40A 1.193(12) . ? C40A C41A 1.463(13) . ? C41A C42A 1.393(13) . ? C41A C46A 1.408(13) . ? C42A C43A 1.374(13) . ? C42A H42A 0.9500 . ? C43A C44A 1.366(16) . ? C43A H43A 0.9500 . ? C44A C45A 1.348(17) . ? C44A H44A 0.9500 . ? C45A C46A 1.379(15) . ? C45A H45A 0.9500 . ? C46A H46A 0.9500 . ? C47A C48A 1.191(12) . ? C48A C49A 1.477(14) . ? C49A C50A 1.360(14) . ? C49A C54A 1.379(17) . ? C50A C51A 1.405(16) . ? C50A H50A 0.9500 . ? C51A C52A 1.395(18) . ? C51A H51A 0.9500 . ? C52A C53A 1.315(19) . ? C52A H52A 0.9500 . ? C53A C54A 1.417(19) . ? C53A H53A 0.9500 . ? C54A H54A 0.9500 . ? Ru1B N5B 2.062(6) . ? Ru1B N2B 2.063(7) . ? Ru1B N1B 2.072(8) . ? Ru1B N4B 2.072(7) . ? Ru1B N6B 2.091(7) . ? Ru1B N3B 2.100(7) . ? N1B C1B 1.309(12) . ? N1B C12B 1.354(11) . ? N2B C10B 1.297(11) . ? N2B C11B 1.387(11) . ? C1B C2B 1.417(14) . ? C1B H1B 0.9500 . ? C2B C3B 1.385(15) . ? C2B H2B 0.9500 . ? C3B C4B 1.410(15) . ? C3B H3B 0.9500 . ? C4B C12B 1.425(14) . ? C4B C5B 1.442(14) . ? C5B C6B 1.351(15) . ? C5B H5B 0.9500 . ? C6B C7B 1.421(14) . ? C6B H6B 0.9500 . ? C7B C11B 1.400(13) . ? C7B C8B 1.432(15) . ? C8B C9B 1.373(16) . ? C8B H8B 0.9500 . ? C9B C10B 1.440(13) . ? C9B H9B 0.9500 . ? C10B H10B 0.9500 . ? C11B C12B 1.422(14) . ? N3B C24B 1.329(12) . ? N3B C13B 1.334(12) . ? N4B C22B 1.352(11) . ? N4B C23B 1.388(11) . ? C13B C14B 1.398(15) . ? C13B H13B 0.9500 . ? C14B C15B 1.379(16) . ? C14B H14B 0.9500 . ? C15B C16B 1.428(16) . ? C15B H15B 0.9500 . ? C16B C24B 1.414(14) . ? C16B C17B 1.423(17) . ? C17B C18B 1.358(17) . ? C17B H17B 0.9500 . ? C18B C19B 1.481(15) . ? C18B H18B 0.9500 . ? C19B C23B 1.364(13) . ? C19B C20B 1.423(14) . ? C20B C21B 1.385(14) . ? C20B H20B 0.9500 . ? C21B C22B 1.371(13) . ? C21B H21B 0.9500 . ? C22B H22B 0.9500 . ? C23B C24B 1.429(13) . ? N5B C25B 1.308(11) . ? N5B C38B 1.406(10) . ? N6B C36B 1.337(11) . ? N6B C37B 1.365(10) . ? N7B C30B 1.346(10) . ? N7B C29B 1.377(10) . ? N8B C31B 1.334(10) . ? N8B C32B 1.367(10) . ? C25B C26B 1.419(12) . ? C25B H25B 0.9500 . ? C26B C27B 1.403(13) . ? C26B H26B 0.9500 . ? C27B C28B 1.404(12) . ? C27B H27B 0.9500 . ? C28B C38B 1.358(11) . ? C28B C29B 1.480(12) . ? C29B C32B 1.370(11) . ? C30B C39B 1.419(12) . ? C30B C31B 1.441(12) . ? C31B C47B 1.438(12) . ? C32B C33B 1.459(11) . ? C33B C37B 1.386(11) . ? C33B C34B 1.417(11) . ? C34B C35B 1.386(12) . ? C34B H34B 0.9500 . ? C35B C36B 1.395(13) . ? C35B H35B 0.9500 . ? C36B H36B 0.9500 . ? C37B C38B 1.437(11) . ? C39B C40B 1.193(12) . ? C40B C41B 1.463(13) . ? C41B C42B 1.393(13) . ? C41B C46B 1.408(13) . ? C42B C43B 1.374(13) . ? C42B H42B 0.9500 . ? C43B C44B 1.366(16) . ? C43B H43B 0.9500 . ? C44B C45B 1.348(17) . ? C44B H44B 0.9500 . ? C45B C46B 1.379(15) . ? C45B H45B 0.9500 . ? C46B H46B 0.9500 . ? C47B C48B 1.191(13) . ? C48B C49B 1.477(14) . ? C49B C50B 1.360(14) . ? C49B C54B 1.379(17) . ? C50B C51B 1.405(16) . ? C50B H50B 0.9500 . ? C51B C52B 1.395(18) . ? C51B H51B 0.9500 . ? C52B C53B 1.315(19) . ? C52B H52B 0.9500 . ? C53B C54B 1.417(19) . ? C53B H53B 0.9500 . ? C54B H54B 0.9500 . ? P1 F1 1.541(12) . ? P1 F2 1.543(17) . ? P1 F5 1.548(17) . ? P1 F3 1.578(13) . ? P1 F6 1.582(12) . ? P1 F4 1.585(14) . ? P2 F10 1.570(10) . ? P2 F7 1.584(9) . ? P2 F9 1.582(9) . ? P2 F11 1.586(10) . ? P2 F12 1.590(10) . ? P2 F8 1.599(10) . ? P3 F15 1.565(12) 2_667 ? P3 F15 1.565(12) . ? P3 F13 1.584(11) 2_667 ? P3 F13 1.584(11) . ? P3 F14 1.587(10) . ? P3 F14 1.587(10) 2_667 ? P4 F20 1.577(8) . ? P4 F18 1.582(8) . ? P4 F17 1.586(8) . ? P4 F21 1.586(8) . ? P4 F16 1.587(8) . ? P4 F19 1.591(8) . ? P4D F20D 1.560(8) . ? P4D F16D 1.565(8) . ? P4D F19D 1.572(8) . ? P4D F18D 1.573(8) . ? P4D F21D 1.579(8) . ? P4D F17D 1.593(8) . ? P5 F23 1.553(9) . ? P5 F22 1.568(9) . ? P5 F26 1.571(9) . ? P5 F24 1.576(9) . ? P5 F27 1.579(9) . ? P5 F25 1.582(9) . ? 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 N5A Ru1A N2A 174.7(3) . . ? N5A Ru1A N1A 96.2(3) . . ? N2A Ru1A N1A 79.7(3) . . ? N5A Ru1A N4A 88.1(3) . . ? N2A Ru1A N4A 96.4(3) . . ? N1A Ru1A N4A 173.1(3) . . ? N5A Ru1A N6A 79.6(3) . . ? N2A Ru1A N6A 97.0(2) . . ? N1A Ru1A N6A 91.2(3) . . ? N4A Ru1A N6A 95.0(3) . . ? N5A Ru1A N3A 95.7(3) . . ? N2A Ru1A N3A 88.1(3) . . ? N1A Ru1A N3A 95.6(3) . . ? N4A Ru1A N3A 78.5(3) . . ? N6A Ru1A N3A 172.2(3) . . ? C1A N1A C12A 118.2(9) . . ? C1A N1A Ru1A 128.8(7) . . ? C12A N1A Ru1A 112.9(7) . . ? C10A N2A C11A 117.2(8) . . ? C10A N2A Ru1A 128.1(6) . . ? C11A N2A Ru1A 113.5(6) . . ? N1A C1A C2A 123.4(10) . . ? N1A C1A H1A 118.3 . . ? C2A C1A H1A 118.3 . . ? C3A C2A C1A 119.4(11) . . ? C3A C2A H2A 120.3 . . ? C1A C2A H2A 120.3 . . ? C2A C3A C4A 118.2(10) . . ? C2A C3A H3A 120.9 . . ? C4A C3A H3A 120.9 . . ? C3A C4A C12A 117.6(10) . . ? C3A C4A C5A 123.6(10) . . ? C12A C4A C5A 118.7(10) . . ? C6A C5A C4A 122.3(10) . . ? C6A C5A H5A 118.8 . . ? C4A C5A H5A 118.8 . . ? C5A C6A C7A 118.8(10) . . ? C5A C6A H6A 120.6 . . ? C7A C6A H6A 120.6 . . ? C11A C7A C6A 121.4(10) . . ? C11A C7A C8A 115.1(9) . . ? C6A C7A C8A 123.4(10) . . ? C9A C8A C7A 120.5(10) . . ? C9A C8A H8A 119.8 . . ? C7A C8A H8A 119.8 . . ? C8A C9A C10A 118.6(11) . . ? C8A C9A H9A 120.7 . . ? C10A C9A H9A 120.7 . . ? N2A C10A C9A 123.2(10) . . ? N2A C10A H10A 118.4 . . ? C9A C10A H10A 118.4 . . ? N2A C11A C7A 125.1(9) . . ? N2A C11A C12A 114.9(8) . . ? C7A C11A C12A 119.9(9) . . ? N1A C12A C11A 118.2(9) . . ? N1A C12A C4A 122.9(10) . . ? C11A C12A C4A 118.7(9) . . ? C24A N3A C13A 119.5(9) . . ? C24A N3A Ru1A 114.1(6) . . ? C13A N3A Ru1A 126.4(7) . . ? C22A N4A C23A 117.5(8) . . ? C22A N4A Ru1A 128.1(6) . . ? C23A N4A Ru1A 114.4(6) . . ? N3A C13A C14A 121.7(11) . . ? N3A C13A H13A 119.1 . . ? C14A C13A H13A 119.1 . . ? C15A C14A C13A 119.4(11) . . ? C15A C14A H14A 120.3 . . ? C13A C14A H14A 120.3 . . ? C14A C15A C16A 119.7(11) . . ? C14A C15A H15A 120.1 . . ? C16A C15A H15A 120.1 . . ? C24A C16A C17A 120.8(11) . . ? C24A C16A C15A 115.6(11) . . ? C17A C16A C15A 123.5(12) . . ? C18A C17A C16A 120.0(12) . . ? C18A C17A H17A 120.0 . . ? C16A C17A H17A 120.0 . . ? C17A C18A C19A 120.1(12) . . ? C17A C18A H18A 119.9 . . ? C19A C18A H18A 119.9 . . ? C23A C19A C20A 118.7(9) . . ? C23A C19A C18A 118.4(10) . . ? C20A C19A C18A 122.8(11) . . ? C21A C20A C19A 117.7(9) . . ? C21A C20A H20A 121.1 . . ? C19A C20A H20A 121.1 . . ? C22A C21A C20A 121.0(9) . . ? C22A C21A H21A 119.5 . . ? C20A C21A H21A 119.5 . . ? N4A C22A C21A 122.1(9) . . ? N4A C22A H22A 119.0 . . ? C21A C22A H22A 119.0 . . ? C19A C23A N4A 122.9(9) . . ? C19A C23A C24A 122.0(9) . . ? N4A C23A C24A 115.0(9) . . ? N3A C24A C16A 123.9(9) . . ? N3A C24A C23A 118.0(9) . . ? C16A C24A C23A 118.1(10) . . ? C25A N5A C38A 117.9(7) . . ? C25A N5A Ru1A 128.5(6) . . ? C38A N5A Ru1A 113.5(5) . . ? C36A N6A C37A 118.7(8) . . ? C36A N6A Ru1A 127.8(6) . . ? C37A N6A Ru1A 113.2(5) . . ? C30A N7A C29A 116.3(7) . . ? C31A N8A C32A 116.0(7) . . ? N5A C25A C26A 124.0(9) . . ? N5A C25A H25A 118.0 . . ? C26A C25A H25A 118.0 . . ? C27A C26A C25A 116.9(9) . . ? C27A C26A H26A 121.5 . . ? C25A C26A H26A 121.5 . . ? C26A C27A C28A 119.8(8) . . ? C26A C27A H27A 120.1 . . ? C28A C27A H27A 120.1 . . ? C38A C28A C27A 119.1(8) . . ? C38A C28A C29A 117.8(7) . . ? C27A C28A C29A 123.0(8) . . ? C32A C29A N7A 122.7(8) . . ? C32A C29A C28A 120.5(7) . . ? N7A C29A C28A 116.6(7) . . ? N7A C30A C39A 116.4(8) . . ? N7A C30A C31A 120.0(8) . . ? C39A C30A C31A 123.5(8) . . ? N8A C31A C47A 118.6(8) . . ? N8A C31A C30A 122.8(8) . . ? C47A C31A C30A 118.6(8) . . ? N8A C32A C29A 122.0(8) . . ? N8A C32A C33A 117.8(8) . . ? C29A C32A C33A 120.2(8) . . ? C37A C33A C34A 117.1(8) . . ? C37A C33A C32A 119.0(7) . . ? C34A C33A C32A 123.9(8) . . ? C35A C34A C33A 119.8(8) . . ? C35A C34A H34A 120.1 . . ? C33A C34A H34A 120.1 . . ? C34A C35A C36A 118.9(8) . . ? C34A C35A H35A 120.6 . . ? C36A C35A H35A 120.6 . . ? N6A C36A C35A 122.2(8) . . ? N6A C36A H36A 118.9 . . ? C35A C36A H36A 118.9 . . ? N6A C37A C33A 123.1(7) . . ? N6A C37A C38A 117.0(7) . . ? C33A C37A C38A 119.9(7) . . ? C28A C38A N5A 122.2(7) . . ? C28A C38A C37A 122.3(8) . . ? N5A C38A C37A 115.3(7) . . ? C40A C39A C30A 174.3(11) . . ? C39A C40A C41A 177.2(13) . . ? C42A C41A C46A 119.7(9) . . ? C42A C41A C40A 120.4(9) . . ? C46A C41A C40A 119.8(9) . . ? C43A C42A C41A 118.5(10) . . ? C43A C42A H42A 120.7 . . ? C41A C42A H42A 120.7 . . ? C44A C43A C42A 122.2(11) . . ? C44A C43A H43A 118.9 . . ? C42A C43A H43A 118.9 . . ? C45A C44A C43A 118.9(11) . . ? C45A C44A H44A 120.6 . . ? C43A C44A H44A 120.6 . . ? C44A C45A C46A 122.4(12) . . ? C44A C45A H45A 118.8 . . ? C46A C45A H45A 118.8 . . ? C45A C46A C41A 118.2(11) . . ? C45A C46A H46A 120.9 . . ? C41A C46A H46A 120.9 . . ? C48A C47A C31A 174.3(13) . . ? C47A C48A C49A 178.3(14) . . ? C50A C49A C54A 118.7(10) . . ? C50A C49A C48A 121.1(9) . . ? C54A C49A C48A 119.8(10) . . ? C49A C50A C51A 119.8(11) . . ? C49A C50A H50A 120.1 . . ? C51A C50A H50A 120.1 . . ? C52A C51A C50A 121.5(12) . . ? C52A C51A H51A 119.3 . . ? C50A C51A H51A 119.3 . . ? C53A C52A C51A 116.5(14) . . ? C53A C52A H52A 121.8 . . ? C51A C52A H52A 121.8 . . ? C52A C53A C54A 124.0(16) . . ? C52A C53A H53A 118.0 . . ? C54A C53A H53A 118.0 . . ? C49A C54A C53A 118.6(14) . . ? C49A C54A H54A 120.7 . . ? C53A C54A H54A 120.7 . . ? N5B Ru1B N2B 174.7(3) . . ? N5B Ru1B N1B 96.1(3) . . ? N2B Ru1B N1B 79.8(3) . . ? N5B Ru1B N4B 88.0(3) . . ? N2B Ru1B N4B 96.4(3) . . ? N1B Ru1B N4B 173.1(3) . . ? N5B Ru1B N6B 79.7(3) . . ? N2B Ru1B N6B 96.9(2) . . ? N1B Ru1B N6B 91.2(3) . . ? N4B Ru1B N6B 95.0(3) . . ? N5B Ru1B N3B 95.7(3) . . ? N2B Ru1B N3B 88.1(3) . . ? N1B Ru1B N3B 95.7(3) . . ? N4B Ru1B N3B 78.4(3) . . ? N6B Ru1B N3B 172.1(3) . . ? C1B N1B C12B 118.2(9) . . ? C1B N1B Ru1B 128.8(7) . . ? C12B N1B Ru1B 113.0(7) . . ? C10B N2B C11B 117.3(8) . . ? C10B N2B Ru1B 128.4(6) . . ? C11B N2B Ru1B 113.8(6) . . ? N1B C1B C2B 123.3(10) . . ? N1B C1B H1B 118.3 . . ? C2B C1B H1B 118.3 . . ? C3B C2B C1B 119.3(11) . . ? C3B C2B H2B 120.3 . . ? C1B C2B H2B 120.3 . . ? C2B C3B C4B 118.2(10) . . ? C2B C3B H3B 120.9 . . ? C4B C3B H3B 120.9 . . ? C3B C4B C12B 117.7(10) . . ? C3B C4B C5B 123.6(10) . . ? C12B C4B C5B 118.7(10) . . ? C6B C5B C4B 122.3(10) . . ? C6B C5B H5B 118.8 . . ? C4B C5B H5B 118.8 . . ? C5B C6B C7B 118.8(10) . . ? C5B C6B H6B 120.6 . . ? C7B C6B H6B 120.6 . . ? C11B C7B C6B 121.5(10) . . ? C11B C7B C8B 115.1(9) . . ? C6B C7B C8B 123.4(10) . . ? C9B C8B C7B 120.5(10) . . ? C9B C8B H8B 119.8 . . ? C7B C8B H8B 119.8 . . ? C8B C9B C10B 118.6(11) . . ? C8B C9B H9B 120.7 . . ? C10B C9B H9B 120.7 . . ? N2B C10B C9B 123.2(10) . . ? N2B C10B H10B 118.4 . . ? C9B C10B H10B 118.4 . . ? N2B C11B C7B 125.1(9) . . ? N2B C11B C12B 115.0(8) . . ? C7B C11B C12B 119.9(9) . . ? N1B C12B C11B 118.3(9) . . ? N1B C12B C4B 122.9(10) . . ? C11B C12B C4B 118.8(9) . . ? C24B N3B C13B 119.5(9) . . ? C24B N3B Ru1B 113.8(6) . . ? C13B N3B Ru1B 126.7(7) . . ? C22B N4B C23B 117.5(8) . . ? C22B N4B Ru1B 128.1(7) . . ? C23B N4B Ru1B 114.1(6) . . ? N3B C13B C14B 121.6(11) . . ? N3B C13B H13B 119.2 . . ? C14B C13B H13B 119.2 . . ? C15B C14B C13B 119.5(11) . . ? C15B C14B H14B 120.3 . . ? C13B C14B H14B 120.3 . . ? C14B C15B C16B 119.7(11) . . ? C14B C15B H15B 120.1 . . ? C16B C15B H15B 120.1 . . ? C24B C16B C17B 120.7(11) . . ? C24B C16B C15B 115.5(11) . . ? C17B C16B C15B 123.7(12) . . ? C18B C17B C16B 120.0(12) . . ? C18B C17B H17B 120.0 . . ? C16B C17B H17B 120.0 . . ? C17B C18B C19B 120.3(12) . . ? C17B C18B H18B 119.9 . . ? C19B C18B H18B 119.9 . . ? C23B C19B C20B 118.6(9) . . ? C23B C19B C18B 118.5(10) . . ? C20B C19B C18B 122.8(11) . . ? C21B C20B C19B 117.7(9) . . ? C21B C20B H20B 121.2 . . ? C19B C20B H20B 121.2 . . ? C22B C21B C20B 121.0(9) . . ? C22B C21B H21B 119.5 . . ? C20B C21B H21B 119.5 . . ? N4B C22B C21B 122.0(9) . . ? N4B C22B H22B 119.0 . . ? C21B C22B H22B 119.0 . . ? C19B C23B N4B 123.0(9) . . ? C19B C23B C24B 122.0(9) . . ? N4B C23B C24B 114.9(9) . . ? N3B C24B C16B 123.9(9) . . ? N3B C24B C23B 117.9(9) . . ? C16B C24B C23B 118.2(10) . . ? C25B N5B C38B 118.0(7) . . ? C25B N5B Ru1B 128.4(6) . . ? C38B N5B Ru1B 113.6(5) . . ? C36B N6B C37B 118.7(8) . . ? C36B N6B Ru1B 127.7(6) . . ? C37B N6B Ru1B 113.3(5) . . ? C30B N7B C29B 116.3(7) . . ? C31B N8B C32B 116.0(7) . . ? N5B C25B C26B 124.0(9) . . ? N5B C25B H25B 118.0 . . ? C26B C25B H25B 118.0 . . ? C27B C26B C25B 116.9(9) . . ? C27B C26B H26B 121.6 . . ? C25B C26B H26B 121.6 . . ? C26B C27B C28B 119.7(8) . . ? C26B C27B H27B 120.1 . . ? C28B C27B H27B 120.1 . . ? C38B C28B C27B 119.2(8) . . ? C38B C28B C29B 117.7(7) . . ? C27B C28B C29B 123.1(8) . . ? C32B C29B N7B 122.7(8) . . ? C32B C29B C28B 120.6(8) . . ? N7B C29B C28B 116.6(7) . . ? N7B C30B C39B 116.4(8) . . ? N7B C30B C31B 120.1(8) . . ? C39B C30B C31B 123.4(8) . . ? N8B C31B C47B 118.5(8) . . ? N8B C31B C30B 122.8(8) . . ? C47B C31B C30B 118.6(8) . . ? N8B C32B C29B 122.1(8) . . ? N8B C32B C33B 117.7(8) . . ? C29B C32B C33B 120.2(8) . . ? C37B C33B C34B 117.1(8) . . ? C37B C33B C32B 118.9(7) . . ? C34B C33B C32B 123.9(8) . . ? C35B C34B C33B 119.8(8) . . ? C35B C34B H34B 120.1 . . ? C33B C34B H34B 120.1 . . ? C34B C35B C36B 118.9(8) . . ? C34B C35B H35B 120.6 . . ? C36B C35B H35B 120.6 . . ? N6B C36B C35B 122.2(8) . . ? N6B C36B H36B 118.9 . . ? C35B C36B H36B 118.9 . . ? N6B C37B C33B 123.0(7) . . ? N6B C37B C38B 117.0(7) . . ? C33B C37B C38B 119.9(7) . . ? C28B C38B N5B 122.2(7) . . ? C28B C38B C37B 122.3(8) . . ? N5B C38B C37B 115.4(7) . . ? C40B C39B C30B 173.5(11) . . ? C39B C40B C41B 176.8(10) . . ? C42B C41B C46B 119.6(9) . . ? C42B C41B C40B 120.3(8) . . ? C46B C41B C40B 119.7(9) . . ? C43B C42B C41B 118.5(10) . . ? C43B C42B H42B 120.7 . . ? C41B C42B H42B 120.7 . . ? C44B C43B C42B 122.2(11) . . ? C44B C43B H43B 118.9 . . ? C42B C43B H43B 118.9 . . ? C45B C44B C43B 118.9(11) . . ? C45B C44B H44B 120.6 . . ? C43B C44B H44B 120.6 . . ? C44B C45B C46B 122.4(12) . . ? C44B C45B H45B 118.8 . . ? C46B C45B H45B 118.8 . . ? C45B C46B C41B 118.2(11) . . ? C45B C46B H46B 120.9 . . ? C41B C46B H46B 120.9 . . ? C48B C47B C31B 176.5(13) . . ? C47B C48B C49B 177.3(13) . . ? C50B C49B C54B 118.8(10) . . ? C50B C49B C48B 121.2(9) . . ? C54B C49B C48B 119.9(10) . . ? C49B C50B C51B 119.8(11) . . ? C49B C50B H50B 120.1 . . ? C51B C50B H50B 120.1 . . ? C52B C51B C50B 121.5(12) . . ? C52B C51B H51B 119.2 . . ? C50B C51B H51B 119.2 . . ? C53B C52B C51B 116.5(14) . . ? C53B C52B H52B 121.7 . . ? C51B C52B H52B 121.7 . . ? C52B C53B C54B 123.9(15) . . ? C52B C53B H53B 118.0 . . ? C54B C53B H53B 118.0 . . ? C49B C54B C53B 118.4(14) . . ? C49B C54B H54B 120.8 . . ? C53B C54B H54B 120.8 . . ? F1 P1 F2 89.9(8) . . ? F1 P1 F5 88.1(8) . . ? F2 P1 F5 97.1(10) . . ? F1 P1 F3 178.3(8) . . ? F2 P1 F3 88.9(8) . . ? F5 P1 F3 93.3(8) . . ? F1 P1 F6 88.3(6) . . ? F2 P1 F6 87.6(8) . . ? F5 P1 F6 174.0(9) . . ? F3 P1 F6 90.4(7) . . ? F1 P1 F4 91.8(7) . . ? F2 P1 F4 177.5(9) . . ? F5 P1 F4 84.8(8) . . ? F3 P1 F4 89.3(7) . . ? F6 P1 F4 90.6(7) . . ? F10 P2 F7 90.0(5) . . ? F10 P2 F9 89.2(5) . . ? F7 P2 F9 179.1(5) . . ? F10 P2 F11 89.2(5) . . ? F7 P2 F11 88.0(5) . . ? F9 P2 F11 92.5(5) . . ? F10 P2 F12 89.5(5) . . ? F7 P2 F12 92.1(5) . . ? F9 P2 F12 87.5(5) . . ? F11 P2 F12 178.8(6) . . ? F10 P2 F8 179.6(6) . . ? F7 P2 F8 90.2(5) . . ? F9 P2 F8 90.5(5) . . ? F11 P2 F8 90.4(5) . . ? F12 P2 F8 90.8(5) . . ? F15 P3 F15 180.000(3) 2_667 . ? F15 P3 F13 92.5(6) 2_667 2_667 ? F15 P3 F13 87.5(6) . 2_667 ? F15 P3 F13 87.5(6) 2_667 . ? F15 P3 F13 92.5(6) . . ? F13 P3 F13 180.000(3) 2_667 . ? F15 P3 F14 90.5(6) 2_667 . ? F15 P3 F14 89.5(6) . . ? F13 P3 F14 92.2(5) 2_667 . ? F13 P3 F14 87.8(5) . . ? F15 P3 F14 89.5(6) 2_667 2_667 ? F15 P3 F14 90.5(6) . 2_667 ? F13 P3 F14 87.8(5) 2_667 2_667 ? F13 P3 F14 92.2(5) . 2_667 ? F14 P3 F14 180.000(3) . 2_667 ? F20 P4 F18 89.7(10) . . ? F20 P4 F17 91.0(10) . . ? F18 P4 F17 90.6(9) . . ? F20 P4 F21 179.4(11) . . ? F18 P4 F21 90.6(10) . . ? F17 P4 F21 88.5(10) . . ? F20 P4 F16 90.5(10) . . ? F18 P4 F16 178.3(10) . . ? F17 P4 F16 91.1(10) . . ? F21 P4 F16 89.2(10) . . ? F20 P4 F19 90.3(11) . . ? F18 P4 F19 87.7(10) . . ? F17 P4 F19 177.8(12) . . ? F21 P4 F19 90.2(10) . . ? F16 P4 F19 90.7(10) . . ? F20D P4D F16D 94.1(11) . . ? F20D P4D F19D 93.8(11) . . ? F16D P4D F19D 97.8(11) . . ? F20D P4D F18D 93.4(10) . . ? F16D P4D F18D 169.3(11) . . ? F19D P4D F18D 89.4(10) . . ? F20D P4D F21D 173.9(12) . . ? F16D P4D F21D 91.8(10) . . ? F19D P4D F21D 86.7(10) . . ? F18D P4D F21D 80.6(9) . . ? F20D P4D F17D 92.3(11) . . ? F16D P4D F17D 89.5(9) . . ? F19D P4D F17D 170.1(11) . . ? F18D P4D F17D 82.5(9) . . ? F21D P4D F17D 86.4(10) . . ? F23 P5 F22 94.4(16) . . ? F23 P5 F26 93.9(14) . . ? F22 P5 F26 93.3(17) . . ? F23 P5 F24 82.8(13) . . ? F22 P5 F24 175(2) . . ? F26 P5 F24 83.4(14) . . ? F23 P5 F27 83.3(14) . . ? F22 P5 F27 83.8(15) . . ? F26 P5 F27 175.7(19) . . ? F24 P5 F27 99.3(18) . . ? F23 P5 F25 177.5(13) . . ? F22 P5 F25 83.1(14) . . ? F26 P5 F25 86.8(13) . . ? F24 P5 F25 99.7(15) . . ? F27 P5 F25 96.0(16) . . ? 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 N5A Ru1A N1A C1A 1.3(11) . . . . ? N2A Ru1A N1A C1A 177.9(11) . . . . ? N4A Ru1A N1A C1A -126(2) . . . . ? N6A Ru1A N1A C1A 81.0(11) . . . . ? N3A Ru1A N1A C1A -95.1(11) . . . . ? N5A Ru1A N1A C12A 178.6(7) . . . . ? N2A Ru1A N1A C12A -4.8(7) . . . . ? N4A Ru1A N1A C12A 51(3) . . . . ? N6A Ru1A N1A C12A -101.7(7) . . . . ? N3A Ru1A N1A C12A 82.2(8) . . . . ? N5A Ru1A N2A C10A -145(3) . . . . ? N1A Ru1A N2A C10A 175.2(8) . . . . ? N4A Ru1A N2A C10A 0.9(8) . . . . ? N6A Ru1A N2A C10A -94.9(8) . . . . ? N3A Ru1A N2A C10A 79.1(8) . . . . ? N5A Ru1A N2A C11A 47(3) . . . . ? N1A Ru1A N2A C11A 7.9(6) . . . . ? N4A Ru1A N2A C11A -166.3(6) . . . . ? N6A Ru1A N2A C11A 97.8(6) . . . . ? N3A Ru1A N2A C11A -88.2(7) . . . . ? C12A N1A C1A C2A -2(2) . . . . ? Ru1A N1A C1A C2A 175.5(12) . . . . ? N1A C1A C2A C3A 1(3) . . . . ? C1A C2A C3A C4A -3(3) . . . . ? C2A C3A C4A C12A 5(2) . . . . ? C2A C3A C4A C5A -177.6(16) . . . . ? C3A C4A C5A C6A -176.7(16) . . . . ? C12A C4A C5A C6A 1(2) . . . . ? C4A C5A C6A C7A -1(2) . . . . ? C5A C6A C7A C11A -1(2) . . . . ? C5A C6A C7A C8A -177.7(16) . . . . ? C11A C7A C8A C9A 1(2) . . . . ? C6A C7A C8A C9A 178.4(17) . . . . ? C7A C8A C9A C10A 0(3) . . . . ? C11A N2A C10A C9A -5.2(17) . . . . ? Ru1A N2A C10A C9A -172.1(11) . . . . ? C8A C9A C10A N2A 2(2) . . . . ? C10A N2A C11A C7A 6.7(16) . . . . ? Ru1A N2A C11A C7A 175.5(11) . . . . ? C10A N2A C11A C12A -178.5(10) . . . . ? Ru1A N2A C11A C12A -9.7(12) . . . . ? C6A C7A C11A N2A 178.1(12) . . . . ? C8A C7A C11A N2A -5(2) . . . . ? C6A C7A C11A C12A 4(2) . . . . ? C8A C7A C11A C12A -179.2(13) . . . . ? C1A N1A C12A C11A 178.6(12) . . . . ? Ru1A N1A C12A C11A 1.1(13) . . . . ? C1A N1A C12A C4A 3.9(18) . . . . ? Ru1A N1A C12A C4A -173.6(10) . . . . ? N2A C11A C12A N1A 5.8(16) . . . . ? C7A C11A C12A N1A -179.1(12) . . . . ? N2A C11A C12A C4A -179.3(11) . . . . ? C7A C11A C12A C4A -4.2(19) . . . . ? C3A C4A C12A N1A -6(2) . . . . ? C5A C4A C12A N1A 176.7(13) . . . . ? C3A C4A C12A C11A 179.7(14) . . . . ? C5A C4A C12A C11A 2.1(19) . . . . ? N5A Ru1A N3A C24A 85.8(8) . . . . ? N2A Ru1A N3A C24A -98.0(8) . . . . ? N1A Ru1A N3A C24A -177.5(8) . . . . ? N4A Ru1A N3A C24A -1.1(7) . . . . ? N6A Ru1A N3A C24A 33(2) . . . . ? N5A Ru1A N3A C13A -94.3(10) . . . . ? N2A Ru1A N3A C13A 82.0(10) . . . . ? N1A Ru1A N3A C13A 2.5(10) . . . . ? N4A Ru1A N3A C13A 178.9(10) . . . . ? N6A Ru1A N3A C13A -147(2) . . . . ? N5A Ru1A N4A C22A 85.2(8) . . . . ? N2A Ru1A N4A C22A -91.8(8) . . . . ? N1A Ru1A N4A C22A -147(2) . . . . ? N6A Ru1A N4A C22A 5.8(8) . . . . ? N3A Ru1A N4A C22A -178.5(8) . . . . ? N5A Ru1A N4A C23A -96.4(7) . . . . ? N2A Ru1A N4A C23A 86.5(7) . . . . ? N1A Ru1A N4A C23A 31(3) . . . . ? N6A Ru1A N4A C23A -175.9(7) . . . . ? N3A Ru1A N4A C23A -0.2(7) . . . . ? C24A N3A C13A C14A -3(2) . . . . ? Ru1A N3A C13A C14A 176.9(11) . . . . ? N3A C13A C14A C15A 4(3) . . . . ? C13A C14A C15A C16A -3(3) . . . . ? C14A C15A C16A C24A 0(3) . . . . ? C14A C15A C16A C17A -176.5(18) . . . . ? C24A C16A C17A C18A 7(2) . . . . ? C15A C16A C17A C18A -176.3(17) . . . . ? C16A C17A C18A C19A -9(2) . . . . ? C17A C18A C19A C23A 8(2) . . . . ? C17A C18A C19A C20A -176.3(15) . . . . ? C23A C19A C20A C21A -2.2(19) . . . . ? C18A C19A C20A C21A -178.3(12) . . . . ? C19A C20A C21A C22A 2.4(19) . . . . ? C23A N4A C22A C21A 3.5(15) . . . . ? Ru1A N4A C22A C21A -178.2(7) . . . . ? C20A C21A C22A N4A -3.1(17) . . . . ? C20A C19A C23A N4A 2.8(19) . . . . ? C18A C19A C23A N4A 179.1(11) . . . . ? C20A C19A C23A C24A 179.3(12) . . . . ? C18A C19A C23A C24A -4.4(19) . . . . ? C22A N4A C23A C19A -3.4(16) . . . . ? Ru1A N4A C23A C19A 178.1(10) . . . . ? C22A N4A C23A C24A 179.9(10) . . . . ? Ru1A N4A C23A C24A 1.4(12) . . . . ? C13A N3A C24A C16A 0.1(19) . . . . ? Ru1A N3A C24A C16A -179.9(11) . . . . ? C13A N3A C24A C23A -177.8(11) . . . . ? Ru1A N3A C24A C23A 2.2(14) . . . . ? C17A C16A C24A N3A 178.1(14) . . . . ? C15A C16A C24A N3A 1(2) . . . . ? C17A C16A C24A C23A -4(2) . . . . ? C15A C16A C24A C23A 179.3(13) . . . . ? C19A C23A C24A N3A -179.2(11) . . . . ? N4A C23A C24A N3A -2.4(16) . . . . ? C19A C23A C24A C16A 2.9(19) . . . . ? N4A C23A C24A C16A 179.6(11) . . . . ? N2A Ru1A N5A C25A -122(3) . . . . ? N1A Ru1A N5A C25A -83.0(10) . . . . ? N4A Ru1A N5A C25A 91.6(10) . . . . ? N6A Ru1A N5A C25A -173.0(10) . . . . ? N3A Ru1A N5A C25A 13.3(10) . . . . ? N2A Ru1A N5A C38A 61(3) . . . . ? N1A Ru1A N5A C38A 99.9(7) . . . . ? N4A Ru1A N5A C38A -85.6(7) . . . . ? N6A Ru1A N5A C38A 9.8(6) . . . . ? N3A Ru1A N5A C38A -163.8(7) . . . . ? N5A Ru1A N6A C36A 176.7(9) . . . . ? N2A Ru1A N6A C36A 0.9(9) . . . . ? N1A Ru1A N6A C36A 80.7(9) . . . . ? N4A Ru1A N6A C36A -96.2(9) . . . . ? N3A Ru1A N6A C36A -129(2) . . . . ? N5A Ru1A N6A C37A -9.8(7) . . . . ? N2A Ru1A N6A C37A 174.4(7) . . . . ? N1A Ru1A N6A C37A -105.9(7) . . . . ? N4A Ru1A N6A C37A 77.3(7) . . . . ? N3A Ru1A N6A C37A 44(2) . . . . ? C38A N5A C25A C26A 2.3(19) . . . . ? Ru1A N5A C25A C26A -174.8(11) . . . . ? N5A C25A C26A C27A -2(2) . . . . ? C25A C26A C27A C28A 1(2) . . . . ? C26A C27A C28A C38A 0(2) . . . . ? C26A C27A C28A C29A 179.7(12) . . . . ? C30A N7A C29A C32A -2.1(16) . . . . ? C30A N7A C29A C28A -176.9(10) . . . . ? C38A C28A C29A C32A -1.4(16) . . . . ? C27A C28A C29A C32A 178.9(12) . . . . ? C38A C28A C29A N7A 173.6(11) . . . . ? C27A C28A C29A N7A -6.1(17) . . . . ? C29A N7A C30A C39A -179.3(11) . . . . ? C29A N7A C30A C31A 3.2(15) . . . . ? C32A N8A C31A C47A -177.2(11) . . . . ? C32A N8A C31A C30A 3.3(17) . . . . ? N7A C30A C31A N8A -4.1(18) . . . . ? C39A C30A C31A N8A 178.6(12) . . . . ? N7A C30A C31A C47A 176.5(11) . . . . ? C39A C30A C31A C47A -0.8(18) . . . . ? C31A N8A C32A C29A -2.1(16) . . . . ? C31A N8A C32A C33A 177.6(11) . . . . ? N7A C29A C32A N8A 1.5(17) . . . . ? C28A C29A C32A N8A 176.1(10) . . . . ? N7A C29A C32A C33A -178.1(10) . . . . ? C28A C29A C32A C33A -3.5(16) . . . . ? N8A C32A C33A C37A -175.3(10) . . . . ? C29A C32A C33A C37A 4.4(16) . . . . ? N8A C32A C33A C34A 4.7(17) . . . . ? C29A C32A C33A C34A -175.7(11) . . . . ? C37A C33A C34A C35A -0.2(18) . . . . ? C32A C33A C34A C35A 179.8(12) . . . . ? C33A C34A C35A C36A -1.2(19) . . . . ? C37A N6A C36A C35A -3.8(16) . . . . ? Ru1A N6A C36A C35A 169.3(8) . . . . ? C34A C35A C36A N6A 3.3(18) . . . . ? C36A N6A C37A C33A 2.3(15) . . . . ? Ru1A N6A C37A C33A -171.8(8) . . . . ? C36A N6A C37A C38A -177.6(10) . . . . ? Ru1A N6A C37A C38A 8.2(12) . . . . ? C34A C33A C37A N6A -0.3(16) . . . . ? C32A C33A C37A N6A 179.6(10) . . . . ? C34A C33A C37A C38A 179.7(11) . . . . ? C32A C33A C37A C38A -0.4(16) . . . . ? C27A C28A C38A N5A 0.1(18) . . . . ? C29A C28A C38A N5A -179.6(9) . . . . ? C27A C28A C38A C37A -174.8(12) . . . . ? C29A C28A C38A C37A 5.5(17) . . . . ? C25A N5A C38A C28A -1.2(16) . . . . ? Ru1A N5A C38A C28A 176.3(9) . . . . ? C25A N5A C38A C37A 174.0(10) . . . . ? Ru1A N5A C38A C37A -8.5(11) . . . . ? N6A C37A C38A C28A 175.3(11) . . . . ? C33A C37A C38A C28A -4.7(17) . . . . ? N6A C37A C38A N5A 0.1(14) . . . . ? C33A C37A C38A N5A -179.9(9) . . . . ? N7A C30A C39A C40A -38(14) . . . . ? C31A C30A C39A C40A 139(13) . . . . ? C30A C39A C40A C41A -66(31) . . . . ? C39A C40A C41A C42A 122(24) . . . . ? C39A C40A C41A C46A -55(25) . . . . ? C46A C41A C42A C43A 1(2) . . . . ? C40A C41A C42A C43A -175.4(12) . . . . ? C41A C42A C43A C44A -4(2) . . . . ? C42A C43A C44A C45A 4(3) . . . . ? C43A C44A C45A C46A -1(3) . . . . ? C44A C45A C46A C41A -1(3) . . . . ? C42A C41A C46A C45A 1(2) . . . . ? C40A C41A C46A C45A 177.9(16) . . . . ? N8A C31A C47A C48A 117(13) . . . . ? C30A C31A C47A C48A -63(14) . . . . ? C31A C47A C48A C49A -27(55) . . . . ? C47A C48A C49A C50A 47(46) . . . . ? C47A C48A C49A C54A -140(45) . . . . ? C54A C49A C50A C51A 12(2) . . . . ? C48A C49A C50A C51A -175.9(13) . . . . ? C49A C50A C51A C52A -8(2) . . . . ? C50A C51A C52A C53A 1(3) . . . . ? C51A C52A C53A C54A 4(4) . . . . ? C50A C49A C54A C53A -7(3) . . . . ? C48A C49A C54A C53A -180(2) . . . . ? C52A C53A C54A C49A -1(4) . . . . ? N5B Ru1B N1B C1B 4.9(10) . . . . ? N2B Ru1B N1B C1B -178.5(10) . . . . ? N4B Ru1B N1B C1B -121(2) . . . . ? N6B Ru1B N1B C1B 84.7(10) . . . . ? N3B Ru1B N1B C1B -91.4(10) . . . . ? N5B Ru1B N1B C12B -174.2(7) . . . . ? N2B Ru1B N1B C12B 2.4(7) . . . . ? N4B Ru1B N1B C12B 59(3) . . . . ? N6B Ru1B N1B C12B -94.4(8) . . . . ? N3B Ru1B N1B C12B 89.4(8) . . . . ? N5B Ru1B N2B C10B -136(3) . . . . ? N1B Ru1B N2B C10B -175.1(9) . . . . ? N4B Ru1B N2B C10B 10.8(9) . . . . ? N6B Ru1B N2B C10B -85.1(9) . . . . ? N3B Ru1B N2B C10B 88.8(9) . . . . ? N5B Ru1B N2B C11B 36(3) . . . . ? N1B Ru1B N2B C11B -3.6(7) . . . . ? N4B Ru1B N2B C11B -177.8(7) . . . . ? N6B Ru1B N2B C11B 86.4(7) . . . . ? N3B Ru1B N2B C11B -99.7(7) . . . . ? C12B N1B C1B C2B -1.6(18) . . . . ? Ru1B N1B C1B C2B 179.3(9) . . . . ? N1B C1B C2B C3B 6(2) . . . . ? C1B C2B C3B C4B -6(2) . . . . ? C2B C3B C4B C12B 2(2) . . . . ? C2B C3B C4B C5B -177.0(14) . . . . ? C3B C4B C5B C6B -178.9(15) . . . . ? C12B C4B C5B C6B 2(2) . . . . ? C4B C5B C6B C7B -2(2) . . . . ? C5B C6B C7B C11B 1(2) . . . . ? C5B C6B C7B C8B -178.9(15) . . . . ? C11B C7B C8B C9B 1(2) . . . . ? C6B C7B C8B C9B -179.0(14) . . . . ? C7B C8B C9B C10B 0(2) . . . . ? C11B N2B C10B C9B 5.3(17) . . . . ? Ru1B N2B C10B C9B 176.5(10) . . . . ? C8B C9B C10B N2B -4(2) . . . . ? C10B N2B C11B C7B -3.6(16) . . . . ? Ru1B N2B C11B C7B -176.0(10) . . . . ? C10B N2B C11B C12B 176.7(11) . . . . ? Ru1B N2B C11B C12B 4.2(12) . . . . ? C6B C7B C11B N2B -179.3(12) . . . . ? C8B C7B C11B N2B 0.2(19) . . . . ? C6B C7B C11B C12B 0(2) . . . . ? C8B C7B C11B C12B 179.9(12) . . . . ? C1B N1B C12B C11B 179.9(11) . . . . ? Ru1B N1B C12B C11B -0.9(14) . . . . ? C1B N1B C12B C4B -2.1(18) . . . . ? Ru1B N1B C12B C4B 177.1(10) . . . . ? N2B C11B C12B N1B -2.3(16) . . . . ? C7B C11B C12B N1B 178.0(11) . . . . ? N2B C11B C12B C4B 179.7(11) . . . . ? C7B C11B C12B C4B -0.1(19) . . . . ? C3B C4B C12B N1B 2(2) . . . . ? C5B C4B C12B N1B -179.0(12) . . . . ? C3B C4B C12B C11B 179.8(12) . . . . ? C5B C4B C12B C11B -1(2) . . . . ? N5B Ru1B N3B C24B 78.3(7) . . . . ? N2B Ru1B N3B C24B -105.4(7) . . . . ? N1B Ru1B N3B C24B 175.0(7) . . . . ? N4B Ru1B N3B C24B -8.5(6) . . . . ? N6B Ru1B N3B C24B 24(2) . . . . ? N5B Ru1B N3B C13B -102.5(9) . . . . ? N2B Ru1B N3B C13B 73.8(9) . . . . ? N1B Ru1B N3B C13B -5.7(9) . . . . ? N4B Ru1B N3B C13B 170.7(9) . . . . ? N6B Ru1B N3B C13B -156.5(19) . . . . ? N5B Ru1B N4B C22B 85.3(8) . . . . ? N2B Ru1B N4B C22B -91.8(8) . . . . ? N1B Ru1B N4B C22B -148(2) . . . . ? N6B Ru1B N4B C22B 5.8(8) . . . . ? N3B Ru1B N4B C22B -178.5(8) . . . . ? N5B Ru1B N4B C23B -88.1(7) . . . . ? N2B Ru1B N4B C23B 94.9(7) . . . . ? N1B Ru1B N4B C23B 39(3) . . . . ? N6B Ru1B N4B C23B -167.6(7) . . . . ? N3B Ru1B N4B C23B 8.2(6) . . . . ? C24B N3B C13B C14B -1.3(17) . . . . ? Ru1B N3B C13B C14B 179.5(10) . . . . ? N3B C13B C14B C15B -4(2) . . . . ? C13B C14B C15B C16B 5(2) . . . . ? C14B C15B C16B C24B -1(2) . . . . ? C14B C15B C16B C17B 175.0(15) . . . . ? C24B C16B C17B C18B 7(2) . . . . ? C15B C16B C17B C18B -169.0(17) . . . . ? C16B C17B C18B C19B -7(2) . . . . ? C17B C18B C19B C23B 4(2) . . . . ? C17B C18B C19B C20B 179.7(15) . . . . ? C23B C19B C20B C21B -4.7(19) . . . . ? C18B C19B C20B C21B 179.5(13) . . . . ? C19B C20B C21B C22B 5.5(19) . . . . ? C23B N4B C22B C21B -0.8(15) . . . . ? Ru1B N4B C22B C21B -173.9(8) . . . . ? C20B C21B C22B N4B -2.8(18) . . . . ? C20B C19B C23B N4B 1.4(19) . . . . ? C18B C19B C23B N4B 177.3(12) . . . . ? C20B C19B C23B C24B -176.0(12) . . . . ? C18B C19B C23B C24B 0(2) . . . . ? C22B N4B C23B C19B 1.4(16) . . . . ? Ru1B N4B C23B C19B 175.5(10) . . . . ? C22B N4B C23B C24B 179.0(9) . . . . ? Ru1B N4B C23B C24B -6.9(12) . . . . ? C13B N3B C24B C16B 5.3(16) . . . . ? Ru1B N3B C24B C16B -175.4(9) . . . . ? C13B N3B C24B C23B -171.8(11) . . . . ? Ru1B N3B C24B C23B 7.5(12) . . . . ? C17B C16B C24B N3B 179.6(12) . . . . ? C15B C16B C24B N3B -3.9(18) . . . . ? C17B C16B C24B C23B -3.4(18) . . . . ? C15B C16B C24B C23B 173.1(12) . . . . ? C19B C23B C24B N3B 177.1(11) . . . . ? N4B C23B C24B N3B -0.5(15) . . . . ? C19B C23B C24B C16B -0.1(18) . . . . ? N4B C23B C24B C16B -177.7(10) . . . . ? N2B Ru1B N5B C25B -122(3) . . . . ? N1B Ru1B N5B C25B -83.5(10) . . . . ? N4B Ru1B N5B C25B 90.9(10) . . . . ? N6B Ru1B N5B C25B -173.6(10) . . . . ? N3B Ru1B N5B C25B 12.8(10) . . . . ? N2B Ru1B N5B C38B 59(3) . . . . ? N1B Ru1B N5B C38B 97.9(6) . . . . ? N4B Ru1B N5B C38B -87.6(6) . . . . ? N6B Ru1B N5B C38B 7.8(6) . . . . ? N3B Ru1B N5B C38B -165.7(6) . . . . ? N5B Ru1B N6B C36B 178.0(9) . . . . ? N2B Ru1B N6B C36B 2.2(9) . . . . ? N1B Ru1B N6B C36B 82.0(9) . . . . ? N4B Ru1B N6B C36B -94.9(8) . . . . ? N3B Ru1B N6B C36B -127(2) . . . . ? N5B Ru1B N6B C37B -8.0(7) . . . . ? N2B Ru1B N6B C37B 176.2(7) . . . . ? N1B Ru1B N6B C37B -104.0(7) . . . . ? N4B Ru1B N6B C37B 79.1(7) . . . . ? N3B Ru1B N6B C37B 47(2) . . . . ? C38B N5B C25B C26B 0.8(19) . . . . ? Ru1B N5B C25B C26B -177.7(11) . . . . ? N5B C25B C26B C27B -2(2) . . . . ? C25B C26B C27B C28B 3(2) . . . . ? C26B C27B C28B C38B -2.8(19) . . . . ? C26B C27B C28B C29B 177.2(12) . . . . ? C30B N7B C29B C32B 0.3(16) . . . . ? C30B N7B C29B C28B -175.0(10) . . . . ? C38B C28B C29B C32B -1.0(16) . . . . ? C27B C28B C29B C32B 178.9(12) . . . . ? C38B C28B C29B N7B 174.3(11) . . . . ? C27B C28B C29B N7B -5.7(16) . . . . ? C29B N7B C30B C39B -178.6(10) . . . . ? C29B N7B C30B C31B -1.0(15) . . . . ? C32B N8B C31B C47B -177.2(10) . . . . ? C32B N8B C31B C30B -1.5(15) . . . . ? N7B C30B C31B N8B 1.7(16) . . . . ? C39B C30B C31B N8B 179.2(10) . . . . ? N7B C30B C31B C47B 177.4(10) . . . . ? C39B C30B C31B C47B -5.1(15) . . . . ? C31B N8B C32B C29B 0.8(15) . . . . ? C31B N8B C32B C33B 178.7(10) . . . . ? N7B C29B C32B N8B -0.1(17) . . . . ? C28B C29B C32B N8B 174.9(10) . . . . ? N7B C29B C32B C33B -178.0(10) . . . . ? C28B C29B C32B C33B -2.9(16) . . . . ? N8B C32B C33B C37B -176.5(10) . . . . ? C29B C32B C33B C37B 1.5(15) . . . . ? N8B C32B C33B C34B 7.0(16) . . . . ? C29B C32B C33B C34B -175.0(11) . . . . ? C37B C33B C34B C35B -1.3(15) . . . . ? C32B C33B C34B C35B 175.3(11) . . . . ? C33B C34B C35B C36B 3.3(17) . . . . ? C37B N6B C36B C35B -2.7(15) . . . . ? Ru1B N6B C36B C35B 171.0(8) . . . . ? C34B C35B C36B N6B -1.3(17) . . . . ? C36B N6B C37B C33B 4.9(15) . . . . ? Ru1B N6B C37B C33B -169.7(8) . . . . ? C36B N6B C37B C38B -178.5(9) . . . . ? Ru1B N6B C37B C38B 6.9(11) . . . . ? C34B C33B C37B N6B -2.9(15) . . . . ? C32B C33B C37B N6B -179.6(10) . . . . ? C34B C33B C37B C38B -179.4(10) . . . . ? C32B C33B C37B C38B 3.9(14) . . . . ? C27B C28B C38B N5B 1.7(17) . . . . ? C29B C28B C38B N5B -178.3(9) . . . . ? C27B C28B C38B C37B -173.3(11) . . . . ? C29B C28B C38B C37B 6.6(15) . . . . ? C25B N5B C38B C28B -0.7(15) . . . . ? Ru1B N5B C38B C28B 178.0(8) . . . . ? C25B N5B C38B C37B 174.7(10) . . . . ? Ru1B N5B C38B C37B -6.6(10) . . . . ? N6B C37B C38B C28B 175.1(10) . . . . ? C33B C37B C38B C28B -8.2(15) . . . . ? N6B C37B C38B N5B -0.3(13) . . . . ? C33B C37B C38B N5B 176.4(9) . . . . ? N7B C30B C39B C40B -86(9) . . . . ? C31B C30B C39B C40B 97(9) . . . . ? C30B C39B C40B C41B 76(22) . . . . ? C39B C40B C41B C42B 28(20) . . . . ? C39B C40B C41B C46B -145(19) . . . . ? C46B C41B C42B C43B -3.4(19) . . . . ? C40B C41B C42B C43B -176.6(12) . . . . ? C41B C42B C43B C44B 4(2) . . . . ? C42B C43B C44B C45B -2(3) . . . . ? C43B C44B C45B C46B 0(3) . . . . ? C44B C45B C46B C41B 0(3) . . . . ? C42B C41B C46B C45B 2(2) . . . . ? C40B C41B C46B C45B 174.9(14) . . . . ? N8B C31B C47B C48B 83(19) . . . . ? C30B C31B C47B C48B -93(19) . . . . ? C31B C47B C48B C49B 18(47) . . . . ? C47B C48B C49B C50B 36(32) . . . . ? C47B C48B C49B C54B -148(31) . . . . ? C54B C49B C50B C51B 11(2) . . . . ? C48B C49B C50B C51B -173.1(14) . . . . ? C49B C50B C51B C52B -4(3) . . . . ? C50B C51B C52B C53B -3(3) . . . . ? C51B C52B C53B C54B 3(4) . . . . ? C50B C49B C54B C53B -11(3) . . . . ? C48B C49B C54B C53B 173(2) . . . . ? C52B C53B C54B C49B 4(4) . . . . ? _diffrn_measured_fraction_theta_max 0.885 _diffrn_reflns_theta_full 20.17 _diffrn_measured_fraction_theta_full 0.885 _refine_diff_density_max 1.212 _refine_diff_density_min -1.116 _refine_diff_density_rms 0.152