data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Yanxiang Cheng' _publ_contact_author_email YANXIANG@CIAC.JL.CN _publ_section_title ; Oligoaniline-Functionalized Terpyridine Ligands and Their Ruthenium (II) Complexes: Synthesis, Spectroscopic Property and Redox Behavior ; loop_ _publ_author_name 'Yanxiang Cheng' 'Dong-Fang Qiu' 'Lixiang Wang' data_q421 _database_code_depnum_ccdc_archive 'CCDC 691744' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C62 H56 F12 N8 P2 Ru' _chemical_formula_weight 1304.16 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 Triclinic _symmetry_space_group_name_H-M P1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' _cell_length_a 9.3421(14) _cell_length_b 10.3691(15) _cell_length_c 15.427(2) _cell_angle_alpha 77.133(2) _cell_angle_beta 89.628(2) _cell_angle_gamma 80.524(2) _cell_volume 1436.3(4) _cell_formula_units_Z 1 _cell_measurement_temperature 186(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description needle _exptl_crystal_colour red _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.508 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 666 _exptl_absorpt_coefficient_mu 0.417 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.8933 _exptl_absorpt_correction_T_max 0.9787 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 186(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 8118 _diffrn_reflns_av_R_equivalents 0.0414 _diffrn_reflns_av_sigmaI/netI 0.1021 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.04 _diffrn_reflns_theta_max 26.06 _reflns_number_total 6835 _reflns_number_gt 5828 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0350P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.28(4) _refine_ls_number_reflns 6835 _refine_ls_number_parameters 767 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0697 _refine_ls_R_factor_gt 0.0593 _refine_ls_wR_factor_ref 0.1100 _refine_ls_wR_factor_gt 0.1047 _refine_ls_goodness_of_fit_ref 1.008 _refine_ls_restrained_S_all 1.007 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru Ru -0.83545(5) 1.18524(4) 1.76707(4) 0.02578(16) Uani 1 1 d . . . N1 N -0.6449(7) 1.2286(6) 1.7093(5) 0.0303(16) Uani 1 1 d . . . N2 N -0.7917(8) 1.0438(7) 1.6984(5) 0.029(2) Uani 1 1 d . . . N3 N -1.0155(6) 1.0926(6) 1.7907(4) 0.0246(14) Uani 1 1 d . . . N4 N -0.9615(6) 1.3368(6) 1.6779(4) 0.0255(15) Uani 1 1 d . . . N5 N -0.8681(8) 1.3293(7) 1.8345(5) 0.029(2) Uani 1 1 d . . . N6 N -0.7184(7) 1.0906(6) 1.8836(5) 0.0339(17) Uani 1 1 d . . . N7 N -0.5867(7) 0.4408(7) 1.4033(5) 0.042(2) Uani 1 1 d . . . N8 N -1.0078(8) 1.9039(7) 2.1519(5) 0.0398(19) Uani 1 1 d . . . C1 C -0.5755(8) 1.3286(7) 1.7147(6) 0.0332(19) Uani 1 1 d . . . H1A H -0.6172 1.3905 1.7487 0.040 Uiso 1 1 calc R . . C2 C -0.4481(9) 1.3477(8) 1.6745(7) 0.040(3) Uani 1 1 d . . . H2A H -0.4033 1.4214 1.6802 0.047 Uiso 1 1 calc R . . C3 C -0.3839(9) 1.2567(8) 1.6246(7) 0.044(2) Uani 1 1 d . . . H3A H -0.2948 1.2669 1.5960 0.053 Uiso 1 1 calc R . . C4 C -0.4543(8) 1.1526(8) 1.6183(6) 0.039(2) Uani 1 1 d . . . H4A H -0.4138 1.0894 1.5850 0.047 Uiso 1 1 calc R . . C5 C -0.5828(8) 1.1398(7) 1.6600(5) 0.0294(18) Uani 1 1 d . . . C6 C -0.6667(8) 1.0329(7) 1.6557(5) 0.0296(18) Uani 1 1 d . . . C7 C -0.6320(9) 0.9312(7) 1.6101(6) 0.034(2) Uani 1 1 d . . . H7A H -0.5454 0.9265 1.5775 0.041 Uiso 1 1 calc R . . C8 C -0.7208(9) 0.8365(9) 1.6111(7) 0.028(2) Uani 1 1 d . . . C9 C -0.8502(8) 0.8502(7) 1.6565(5) 0.0324(19) Uani 1 1 d . . . H9A H -0.9148 0.7881 1.6575 0.039 Uiso 1 1 calc R . . C10 C -0.8851(7) 0.9550(7) 1.7005(5) 0.0265(17) Uani 1 1 d . . . C11 C -1.0164(7) 0.9875(7) 1.7494(5) 0.0250(17) Uani 1 1 d . . . C12 C -1.1369(7) 0.9270(7) 1.7522(5) 0.0304(18) Uani 1 1 d . . . H12A H -1.1362 0.8546 1.7237 0.036 Uiso 1 1 calc R . . C13 C -1.2596(9) 0.9699(8) 1.7959(6) 0.044(2) Uani 1 1 d . . . H13A H -1.3432 0.9284 1.7972 0.052 Uiso 1 1 calc R . . C14 C -1.2568(9) 1.0743(9) 1.8374(6) 0.038(2) Uani 1 1 d . . . H14A H -1.3383 1.1053 1.8688 0.045 Uiso 1 1 calc R . . C15 C -1.1353(8) 1.1326(7) 1.8326(5) 0.0325(19) Uani 1 1 d . . . H15A H -1.1357 1.2056 1.8605 0.039 Uiso 1 1 calc R . . C16 C -0.6842(9) 0.7295(8) 1.5589(6) 0.028(2) Uani 1 1 d . . . C17 C -0.5451(8) 0.6933(8) 1.5349(6) 0.038(2) Uani 1 1 d . . . H17A H -0.4700 0.7333 1.5539 0.045 Uiso 1 1 calc R . . C18 C -0.5104(8) 0.5977(8) 1.4823(6) 0.038(2) Uani 1 1 d . . . H18A H -0.4136 0.5755 1.4644 0.045 Uiso 1 1 calc R . . C19 C -0.6182(9) 0.5377(8) 1.4575(6) 0.032(2) Uani 1 1 d . . . C20 C -0.7588(9) 0.5727(8) 1.4803(7) 0.043(2) Uani 1 1 d . . . H20A H -0.8339 0.5340 1.4599 0.052 Uiso 1 1 calc R . . C21 C -0.7911(9) 0.6652(8) 1.5333(6) 0.044(2) Uani 1 1 d . . . H21A H -0.8875 0.6848 1.5524 0.053 Uiso 1 1 calc R . . C22 C -0.7005(9) 0.3860(8) 1.3728(6) 0.041(2) Uani 1 1 d . . . C23 C -0.7377(11) 0.2674(10) 1.4229(7) 0.062(3) Uani 1 1 d . . . H23A H -0.6868 0.2222 1.4772 0.074 Uiso 1 1 calc R . . C24 C -0.8518(13) 0.2164(11) 1.3913(9) 0.073(4) Uani 1 1 d . . . H24A H -0.8799 0.1369 1.4256 0.088 Uiso 1 1 calc R . . C25 C -0.9225(12) 0.2774(13) 1.3134(9) 0.076(4) Uani 1 1 d . . . H25A H -0.9993 0.2408 1.2931 0.092 Uiso 1 1 calc R . . C26 C -0.8836(13) 0.3919(13) 1.2638(10) 0.090(4) Uani 1 1 d . . . H26A H -0.9324 0.4347 1.2085 0.109 Uiso 1 1 calc R . . C27 C -0.7739(13) 0.4451(11) 1.2940(9) 0.074(4) Uani 1 1 d . . . H27A H -0.7483 0.5253 1.2592 0.089 Uiso 1 1 calc R . . C28 C -0.4400(9) 0.3992(10) 1.3752(7) 0.058(3) Uani 1 1 d . . . H28A H -0.4288 0.3045 1.3703 0.069 Uiso 1 1 calc R . . H28B H -0.3691 0.4045 1.4212 0.069 Uiso 1 1 calc R . . C29 C -0.4059(16) 0.485(2) 1.2870(11) 0.164(9) Uani 1 1 d . . . H29A H -0.3927 0.4218 1.2467 0.197 Uiso 1 1 calc R . . H29B H -0.4987 0.5456 1.2671 0.197 Uiso 1 1 calc R . . C30 C -0.322(4) 0.549(3) 1.2671(15) 0.31(2) Uani 1 1 d . . . H30A H -0.2287 0.4887 1.2860 0.372 Uiso 1 1 calc R . . H30B H -0.3347 0.6125 1.3068 0.372 Uiso 1 1 calc R . . C31 C -0.296(2) 0.6305(15) 1.1788(12) 0.179(8) Uani 1 1 d . . . H31A H -0.2237 0.6870 1.1851 0.268 Uiso 1 1 calc R . . H31B H -0.3865 0.6874 1.1533 0.268 Uiso 1 1 calc R . . H31C H -0.2588 0.5711 1.1393 0.268 Uiso 1 1 calc R . . C32 C -1.0030(8) 1.3369(8) 1.5942(6) 0.0313(19) Uani 1 1 d . . . H32A H -0.9700 1.2592 1.5719 0.038 Uiso 1 1 calc R . . C33 C -1.0903(9) 1.4432(10) 1.5395(7) 0.034(2) Uani 1 1 d . . . H33A H -1.1155 1.4393 1.4807 0.041 Uiso 1 1 calc R . . C34 C -1.1397(8) 1.5540(8) 1.5713(6) 0.036(2) Uani 1 1 d . . . H34A H -1.1998 1.6290 1.5348 0.043 Uiso 1 1 calc R . . C35 C -1.1016(8) 1.5565(8) 1.6573(6) 0.0322(19) Uani 1 1 d . . . H35A H -1.1396 1.6316 1.6810 0.039 Uiso 1 1 calc R . . C36 C -1.0106(8) 1.4526(7) 1.7076(5) 0.0254(17) Uani 1 1 d . . . C37 C -0.9547(7) 1.4455(7) 1.7984(5) 0.0247(17) Uani 1 1 d . . . C38 C -0.9751(8) 1.5470(7) 1.8462(6) 0.0335(19) Uani 1 1 d . . . H38A H -1.0364 1.6298 1.8219 0.040 Uiso 1 1 calc R . . C39 C -0.9064(9) 1.5276(9) 1.9287(6) 0.026(2) Uani 1 1 d . . . C40 C -0.8203(8) 1.4070(8) 1.9623(5) 0.0310(19) Uani 1 1 d . . . H40A H -0.7730 1.3917 2.0188 0.037 Uiso 1 1 calc R . . C41 C -0.8006(8) 1.3053(7) 1.9145(5) 0.0304(18) Uani 1 1 d . . . C42 C -0.7095(8) 1.1725(7) 1.9419(5) 0.0290(18) Uani 1 1 d . . . C43 C -0.6168(9) 1.1312(8) 2.0147(6) 0.041(2) Uani 1 1 d . . . H43A H -0.6068 1.1908 2.0521 0.049 Uiso 1 1 calc R . . C44 C -0.5376(9) 1.0028(8) 2.0339(6) 0.043(2) Uani 1 1 d . . . H44A H -0.4758 0.9728 2.0856 0.052 Uiso 1 1 calc R . . C45 C -0.5488(10) 0.9196(10) 1.9780(7) 0.043(3) Uani 1 1 d . . . H45A H -0.4942 0.8314 1.9894 0.052 Uiso 1 1 calc R . . C46 C -0.6428(8) 0.9675(8) 1.9034(6) 0.036(2) Uani 1 1 d . . . H46A H -0.6529 0.9090 1.8652 0.043 Uiso 1 1 calc R . . C47 C -0.9284(9) 1.6349(8) 1.9814(6) 0.031(2) Uani 1 1 d . . . C48 C -0.8214(9) 1.6392(8) 2.0419(6) 0.040(2) Uani 1 1 d . . . H48A H -0.7320 1.5788 2.0469 0.049 Uiso 1 1 calc R . . C49 C -0.8453(9) 1.7331(8) 2.0958(6) 0.037(2) Uani 1 1 d . . . H49A H -0.7707 1.7357 2.1367 0.045 Uiso 1 1 calc R . . C50 C -0.9773(10) 1.8236(8) 2.0908(6) 0.033(2) Uani 1 1 d . . . C51 C -1.0796(9) 1.8214(8) 2.0248(6) 0.036(2) Uani 1 1 d . . . H51A H -1.1665 1.8855 2.0160 0.044 Uiso 1 1 calc R . . C52 C -1.0564(9) 1.7278(8) 1.9725(6) 0.036(2) Uani 1 1 d . . . H52A H -1.1289 1.7269 1.9299 0.043 Uiso 1 1 calc R . . C53 C -1.1043(9) 2.0263(8) 2.1295(5) 0.0343(19) Uani 1 1 d . . . C54 C -1.0830(10) 2.1260(9) 2.0566(6) 0.049(2) Uani 1 1 d . . . H54A H -1.0045 2.1104 2.0188 0.059 Uiso 1 1 calc R . . C55 C -1.1740(12) 2.2462(9) 2.0390(7) 0.065(3) Uani 1 1 d . . . H55A H -1.1578 2.3133 1.9887 0.078 Uiso 1 1 calc R . . C56 C -1.2870(12) 2.2727(10) 2.0914(7) 0.062(3) Uani 1 1 d . . . H56A H -1.3499 2.3569 2.0779 0.075 Uiso 1 1 calc R . . C57 C -1.3088(11) 2.1753(10) 2.1643(7) 0.061(3) Uani 1 1 d . . . H57A H -1.3878 2.1931 2.2013 0.073 Uiso 1 1 calc R . . C58 C -1.2177(9) 2.0507(9) 2.1854(6) 0.045(2) Uani 1 1 d . . . H58A H -1.2329 1.9846 2.2366 0.054 Uiso 1 1 calc R . . C59 C -0.9213(10) 1.8759(8) 2.2341(6) 0.040(2) Uani 1 1 d . . . H59A H -0.8895 1.7776 2.2528 0.048 Uiso 1 1 calc R . . H59B H -0.9845 1.9038 2.2807 0.048 Uiso 1 1 calc R . . C60 C -0.7885(11) 1.9426(10) 2.2304(7) 0.051(3) Uani 1 1 d . . . H60A H -0.7271 1.9190 2.1819 0.061 Uiso 1 1 calc R . . H60B H -0.8199 2.0411 2.2157 0.061 Uiso 1 1 calc R . . C61 C -0.7002(10) 1.9044(11) 2.3142(7) 0.062(3) Uani 1 1 d . . . H61A H -0.6691 1.8058 2.3294 0.075 Uiso 1 1 calc R . . H61B H -0.7607 1.9292 2.3628 0.075 Uiso 1 1 calc R . . C62 C -0.5677(12) 1.9714(14) 2.3080(9) 0.099(4) Uani 1 1 d . . . H62A H -0.5125 1.9424 2.3647 0.148 Uiso 1 1 calc R . . H62B H -0.5979 2.0690 2.2947 0.148 Uiso 1 1 calc R . . H62C H -0.5067 1.9462 2.2605 0.148 Uiso 1 1 calc R . . P1 P -0.1789(2) 0.9719(2) 0.46594(16) 0.0396(6) Uani 1 1 d . . . P2 P -0.4377(3) 0.5807(2) 0.8555(2) 0.0536(7) Uani 1 1 d . . . F1 F -0.1705(9) 1.0762(6) 0.3762(4) 0.104(2) Uani 1 1 d . . . F2 F -0.3459(6) 1.0131(8) 0.4640(5) 0.108(3) Uani 1 1 d . . . F3 F -0.1835(8) 0.8668(6) 0.5574(4) 0.099(2) Uani 1 1 d . . . F4 F -0.0122(6) 0.9366(7) 0.4652(5) 0.099(2) Uani 1 1 d . . . F5 F -0.1973(6) 0.8607(5) 0.4111(4) 0.0594(15) Uani 1 1 d . . . F6 F -0.1622(5) 1.0830(5) 0.5210(3) 0.0554(14) Uani 1 1 d . . . F7 F -0.3512(15) 0.6932(11) 0.8161(8) 0.214(6) Uani 1 1 d . . . F8 F -0.3123(8) 0.4738(9) 0.8373(7) 0.147(3) Uani 1 1 d . . . F9 F -0.5487(12) 0.6888(12) 0.8706(10) 0.241(7) Uani 1 1 d . . . F10 F -0.3546(15) 0.5670(8) 0.9423(6) 0.207(6) Uani 1 1 d . . . F11 F -0.5087(13) 0.5889(7) 0.7689(7) 0.204(6) Uani 1 1 d . . . F12 F -0.5041(9) 0.4565(9) 0.8964(7) 0.159(4) 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 Ru 0.0329(3) 0.0200(3) 0.0274(3) -0.0111(3) 0.0013(3) -0.0051(2) N1 0.042(4) 0.015(3) 0.035(4) -0.011(3) -0.005(3) -0.003(3) N2 0.051(5) 0.024(5) 0.019(5) -0.013(4) 0.007(4) -0.018(4) N3 0.026(3) 0.026(4) 0.023(4) -0.008(3) 0.004(3) -0.004(3) N4 0.027(4) 0.023(4) 0.028(4) -0.007(3) -0.002(3) -0.003(3) N5 0.042(5) 0.016(4) 0.027(5) -0.009(4) 0.006(4) 0.001(4) N6 0.038(4) 0.023(4) 0.044(5) -0.013(4) 0.003(4) -0.007(3) N7 0.044(5) 0.035(4) 0.057(6) -0.031(4) 0.010(4) -0.011(4) N8 0.052(5) 0.031(4) 0.038(5) -0.019(4) -0.013(4) 0.007(4) C1 0.044(5) 0.019(4) 0.041(5) -0.015(4) -0.008(4) -0.006(4) C2 0.044(6) 0.026(5) 0.050(7) -0.004(5) 0.003(5) -0.016(4) C3 0.038(5) 0.043(5) 0.060(7) -0.019(5) 0.010(5) -0.022(4) C4 0.037(5) 0.036(5) 0.053(6) -0.023(5) 0.008(4) -0.016(4) C5 0.040(5) 0.026(4) 0.026(5) -0.010(4) 0.007(4) -0.010(3) C6 0.037(5) 0.024(4) 0.030(5) -0.008(4) 0.005(4) -0.007(3) C7 0.040(5) 0.023(4) 0.040(5) -0.010(4) 0.006(4) -0.002(3) C8 0.023(4) 0.023(5) 0.038(6) -0.010(4) 0.001(4) 0.001(4) C9 0.035(5) 0.023(4) 0.043(5) -0.014(4) 0.009(4) -0.007(3) C10 0.033(4) 0.025(4) 0.028(4) -0.012(3) 0.004(4) -0.014(3) C11 0.034(4) 0.023(4) 0.021(4) -0.008(3) 0.000(3) -0.008(3) C12 0.029(4) 0.029(4) 0.035(5) -0.010(4) -0.005(4) -0.005(3) C13 0.042(5) 0.034(5) 0.058(7) -0.014(5) 0.003(5) -0.013(4) C14 0.033(5) 0.037(5) 0.040(6) -0.007(5) 0.011(4) -0.002(4) C15 0.041(5) 0.024(4) 0.033(5) -0.010(4) 0.008(4) -0.003(4) C16 0.031(5) 0.023(5) 0.034(5) -0.013(4) 0.002(4) -0.007(4) C17 0.036(5) 0.045(5) 0.042(6) -0.030(5) 0.003(4) -0.009(4) C18 0.034(5) 0.049(5) 0.038(5) -0.025(5) 0.007(4) -0.010(4) C19 0.038(5) 0.025(4) 0.039(6) -0.011(4) -0.007(4) -0.015(4) C20 0.045(6) 0.023(5) 0.071(7) -0.027(5) 0.007(5) -0.012(4) C21 0.044(6) 0.041(5) 0.059(7) -0.024(5) 0.028(5) -0.024(4) C22 0.048(6) 0.033(5) 0.047(6) -0.020(5) 0.008(5) -0.008(4) C23 0.082(8) 0.055(7) 0.056(7) -0.017(6) 0.011(6) -0.030(6) C24 0.090(9) 0.064(7) 0.087(10) -0.035(7) 0.030(8) -0.049(7) C25 0.079(8) 0.088(9) 0.085(10) -0.048(8) 0.002(8) -0.041(7) C26 0.084(9) 0.080(10) 0.105(12) -0.010(9) -0.033(9) -0.020(8) C27 0.074(8) 0.039(7) 0.101(11) -0.001(7) -0.036(8) -0.008(6) C28 0.045(6) 0.065(7) 0.082(8) -0.056(7) 0.016(6) -0.011(5) C29 0.115(12) 0.34(3) 0.097(13) -0.106(17) 0.072(11) -0.120(15) C30 0.45(4) 0.39(4) 0.125(18) 0.08(2) -0.08(2) -0.36(3) C31 0.30(2) 0.099(12) 0.130(16) 0.023(11) 0.042(16) -0.087(14) C32 0.035(5) 0.034(5) 0.030(5) -0.011(4) 0.007(4) -0.013(4) C33 0.029(5) 0.040(6) 0.038(6) -0.010(5) 0.002(4) -0.017(4) C34 0.027(4) 0.036(5) 0.043(6) 0.000(4) -0.006(4) -0.010(4) C35 0.037(5) 0.027(4) 0.034(5) -0.010(4) 0.004(4) -0.009(4) C36 0.029(4) 0.024(4) 0.027(4) -0.007(4) 0.003(4) -0.011(3) C37 0.028(4) 0.017(4) 0.032(5) -0.008(3) 0.001(4) -0.005(3) C38 0.050(5) 0.017(4) 0.037(5) -0.012(4) 0.000(4) -0.008(4) C39 0.030(5) 0.023(5) 0.030(5) -0.013(4) -0.002(4) -0.004(4) C40 0.040(5) 0.034(5) 0.026(5) -0.017(4) -0.003(4) -0.010(4) C41 0.034(4) 0.029(4) 0.030(5) -0.007(4) 0.001(4) -0.011(4) C42 0.029(4) 0.032(5) 0.028(5) -0.009(4) 0.002(4) -0.006(3) C43 0.056(6) 0.032(5) 0.036(5) -0.015(4) -0.003(5) 0.000(4) C44 0.053(6) 0.045(5) 0.026(5) -0.006(4) -0.005(4) 0.006(4) C45 0.051(6) 0.023(5) 0.051(7) -0.008(5) -0.007(5) 0.004(4) C46 0.035(5) 0.028(5) 0.044(6) -0.008(4) 0.007(4) -0.002(4) C47 0.032(5) 0.026(5) 0.039(6) -0.017(4) 0.008(4) -0.005(4) C48 0.051(5) 0.030(5) 0.043(6) -0.016(4) -0.012(5) -0.003(4) C49 0.044(5) 0.031(5) 0.042(6) -0.018(4) -0.007(4) -0.006(4) C50 0.046(5) 0.031(5) 0.026(5) -0.016(4) -0.012(4) -0.007(4) C51 0.036(5) 0.029(5) 0.047(6) -0.019(4) -0.004(4) 0.000(4) C52 0.047(5) 0.026(5) 0.034(5) -0.011(4) -0.013(4) 0.003(4) C53 0.050(5) 0.034(5) 0.020(5) -0.015(4) -0.008(4) 0.001(4) C54 0.058(6) 0.053(6) 0.040(6) -0.023(5) 0.009(5) -0.005(5) C55 0.112(9) 0.036(6) 0.046(7) -0.013(5) -0.002(7) -0.005(6) C56 0.089(8) 0.051(7) 0.047(7) -0.031(6) -0.003(6) 0.020(6) C57 0.066(7) 0.059(7) 0.055(7) -0.027(6) 0.007(6) 0.015(5) C58 0.063(6) 0.036(5) 0.037(5) -0.014(4) 0.001(5) 0.000(4) C59 0.060(6) 0.029(5) 0.033(5) -0.014(4) -0.009(5) 0.002(4) C60 0.063(7) 0.054(6) 0.041(6) -0.023(5) -0.002(5) -0.007(5) C61 0.055(6) 0.080(8) 0.051(7) -0.015(6) -0.016(6) -0.006(6) C62 0.077(8) 0.142(12) 0.086(10) -0.033(9) -0.008(8) -0.033(8) P1 0.0467(15) 0.0406(14) 0.0354(14) -0.0168(11) 0.0056(11) -0.0073(11) P2 0.0658(17) 0.0369(15) 0.067(2) -0.0253(14) 0.0011(15) -0.0166(13) F1 0.205(7) 0.074(4) 0.046(4) -0.012(3) 0.013(5) -0.059(5) F2 0.052(4) 0.170(8) 0.143(8) -0.127(7) 0.004(4) -0.012(4) F3 0.193(7) 0.083(5) 0.042(4) -0.017(4) 0.003(4) -0.082(5) F4 0.054(4) 0.116(6) 0.150(7) -0.091(5) 0.010(4) 0.002(4) F5 0.092(4) 0.046(3) 0.049(3) -0.024(3) 0.007(3) -0.019(3) F6 0.058(3) 0.065(3) 0.057(4) -0.036(3) 0.008(3) -0.021(3) F7 0.284(13) 0.133(8) 0.230(14) 0.026(10) -0.066(13) -0.137(9) F8 0.123(7) 0.135(7) 0.177(9) -0.055(7) 0.002(6) 0.027(6) F9 0.201(11) 0.222(12) 0.325(17) -0.215(13) -0.033(11) 0.104(9) F10 0.416(17) 0.078(6) 0.128(8) -0.015(6) -0.135(10) -0.048(8) F11 0.377(15) 0.042(4) 0.177(9) -0.040(5) -0.196(10) 0.036(7) F12 0.156(8) 0.131(7) 0.194(10) 0.006(7) 0.003(7) -0.096(6) _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 Ru N2 1.982(7) . ? Ru N5 1.986(7) . ? Ru N4 2.049(6) . ? Ru N1 2.057(7) . ? Ru N3 2.062(6) . ? Ru N6 2.069(8) . ? N1 C1 1.328(8) . ? N1 C5 1.376(8) . ? N2 C6 1.338(9) . ? N2 C10 1.365(9) . ? N3 C15 1.342(9) . ? N3 C11 1.380(8) . ? N4 C32 1.350(10) . ? N4 C36 1.386(9) . ? N5 C41 1.343(11) . ? N5 C37 1.343(9) . ? N6 C46 1.324(10) . ? N6 C42 1.379(9) . ? N7 C22 1.413(10) . ? N7 C19 1.438(10) . ? N7 C28 1.461(10) . ? N8 C50 1.390(10) . ? N8 C53 1.406(10) . ? N8 C59 1.455(11) . ? C1 C2 1.361(11) . ? C2 C3 1.406(11) . ? C3 C4 1.374(10) . ? C4 C5 1.369(9) . ? C5 C6 1.473(9) . ? C6 C7 1.388(9) . ? C7 C8 1.384(11) . ? C8 C9 1.396(10) . ? C8 C16 1.505(11) . ? C9 C10 1.399(9) . ? C10 C11 1.467(9) . ? C11 C12 1.372(9) . ? C12 C13 1.386(10) . ? C13 C14 1.379(11) . ? C14 C15 1.365(11) . ? C16 C17 1.365(10) . ? C16 C21 1.393(10) . ? C17 C18 1.412(10) . ? C18 C19 1.366(10) . ? C19 C20 1.370(10) . ? C20 C21 1.389(11) . ? C22 C27 1.365(14) . ? C22 C23 1.395(12) . ? C23 C24 1.400(13) . ? C24 C25 1.347(16) . ? C25 C26 1.365(16) . ? C26 C27 1.370(14) . ? C28 C29 1.51(2) . ? C29 C30 1.106(19) . ? C30 C31 1.48(2) . ? C32 C33 1.376(12) . ? C33 C34 1.359(11) . ? C34 C35 1.382(11) . ? C35 C36 1.349(10) . ? C36 C37 1.481(10) . ? C37 C38 1.402(9) . ? C38 C39 1.389(12) . ? C39 C40 1.366(11) . ? C39 C47 1.504(11) . ? C40 C41 1.403(9) . ? C41 C42 1.469(10) . ? C42 C43 1.368(11) . ? C43 C44 1.382(10) . ? C44 C45 1.365(12) . ? C45 C46 1.399(13) . ? C47 C48 1.385(11) . ? C47 C52 1.393(10) . ? C48 C49 1.406(10) . ? C49 C50 1.413(11) . ? C50 C51 1.407(11) . ? C51 C52 1.385(10) . ? C53 C54 1.385(12) . ? C53 C58 1.388(11) . ? C54 C55 1.362(12) . ? C55 C56 1.354(13) . ? C56 C57 1.373(14) . ? C57 C58 1.398(11) . ? C59 C60 1.511(12) . ? C60 C61 1.478(13) . ? C61 C62 1.508(14) . ? P1 F4 1.540(6) . ? P1 F2 1.547(6) . ? P1 F1 1.566(7) . ? P1 F3 1.584(6) . ? P1 F6 1.603(5) . ? P1 F5 1.606(5) . ? P2 F9 1.455(7) . ? P2 F11 1.475(8) . ? P2 F10 1.520(9) . ? P2 F12 1.529(7) . ? P2 F7 1.539(10) . ? P2 F8 1.545(7) . ? 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 N2 Ru N5 176.8(4) . . ? N2 Ru N4 102.2(3) . . ? N5 Ru N4 78.5(3) . . ? N2 Ru N1 78.9(3) . . ? N5 Ru N1 97.9(3) . . ? N4 Ru N1 93.4(2) . . ? N2 Ru N3 78.8(3) . . ? N5 Ru N3 104.5(3) . . ? N4 Ru N3 87.9(2) . . ? N1 Ru N3 157.4(2) . . ? N2 Ru N6 99.9(3) . . ? N5 Ru N6 79.3(3) . . ? N4 Ru N6 157.8(2) . . ? N1 Ru N6 88.9(3) . . ? N3 Ru N6 98.4(3) . . ? C1 N1 C5 117.3(7) . . ? C1 N1 Ru 128.4(5) . . ? C5 N1 Ru 114.3(5) . . ? C6 N2 C10 121.6(7) . . ? C6 N2 Ru 119.0(5) . . ? C10 N2 Ru 119.3(5) . . ? C15 N3 C11 117.9(6) . . ? C15 N3 Ru 127.1(5) . . ? C11 N3 Ru 114.6(5) . . ? C32 N4 C36 116.4(7) . . ? C32 N4 Ru 127.7(6) . . ? C36 N4 Ru 115.9(5) . . ? C41 N5 C37 123.1(7) . . ? C41 N5 Ru 117.8(6) . . ? C37 N5 Ru 119.1(6) . . ? C46 N6 C42 118.2(8) . . ? C46 N6 Ru 127.3(6) . . ? C42 N6 Ru 114.1(5) . . ? C22 N7 C19 120.0(7) . . ? C22 N7 C28 117.8(6) . . ? C19 N7 C28 122.2(7) . . ? C50 N8 C53 120.8(7) . . ? C50 N8 C59 120.4(7) . . ? C53 N8 C59 117.8(6) . . ? N1 C1 C2 123.9(7) . . ? C1 C2 C3 119.0(8) . . ? C4 C3 C2 117.8(8) . . ? C5 C4 C3 120.1(7) . . ? C4 C5 N1 121.9(6) . . ? C4 C5 C6 123.8(6) . . ? N1 C5 C6 114.3(6) . . ? N2 C6 C7 119.6(7) . . ? N2 C6 C5 113.2(6) . . ? C7 C6 C5 127.0(7) . . ? C8 C7 C6 121.4(7) . . ? C7 C8 C9 117.5(7) . . ? C7 C8 C16 120.8(7) . . ? C9 C8 C16 121.5(7) . . ? C10 C9 C8 120.3(7) . . ? N2 C10 C9 119.4(7) . . ? N2 C10 C11 112.4(6) . . ? C9 C10 C11 128.2(6) . . ? C12 C11 N3 120.1(6) . . ? C12 C11 C10 125.1(6) . . ? N3 C11 C10 114.7(6) . . ? C11 C12 C13 121.1(7) . . ? C14 C13 C12 118.2(8) . . ? C15 C14 C13 119.0(8) . . ? N3 C15 C14 123.7(7) . . ? C17 C16 C21 118.1(7) . . ? C17 C16 C8 120.8(7) . . ? C21 C16 C8 121.1(7) . . ? C16 C17 C18 121.4(7) . . ? C19 C18 C17 118.9(7) . . ? C18 C19 C20 120.8(8) . . ? C18 C19 N7 120.3(7) . . ? C20 C19 N7 118.8(7) . . ? C19 C20 C21 119.6(8) . . ? C20 C21 C16 121.0(7) . . ? C27 C22 C23 118.7(9) . . ? C27 C22 N7 121.6(9) . . ? C23 C22 N7 119.8(9) . . ? C22 C23 C24 118.4(11) . . ? C25 C24 C23 121.5(11) . . ? C24 C25 C26 119.8(11) . . ? C25 C26 C27 119.8(13) . . ? C22 C27 C26 121.8(12) . . ? N7 C28 C29 112.7(11) . . ? C30 C29 C28 132.7(19) . . ? C29 C30 C31 130(2) . . ? N4 C32 C33 123.6(8) . . ? C34 C33 C32 118.6(9) . . ? C33 C34 C35 119.4(8) . . ? C36 C35 C34 120.3(7) . . ? C35 C36 N4 121.6(7) . . ? C35 C36 C37 125.9(6) . . ? N4 C36 C37 112.5(6) . . ? N5 C37 C38 118.5(7) . . ? N5 C37 C36 113.8(6) . . ? C38 C37 C36 127.5(7) . . ? C39 C38 C37 120.5(7) . . ? C40 C39 C38 118.3(7) . . ? C40 C39 C47 120.5(8) . . ? C38 C39 C47 121.3(8) . . ? C39 C40 C41 121.1(7) . . ? N5 C41 C40 118.5(7) . . ? N5 C41 C42 114.8(7) . . ? C40 C41 C42 126.7(7) . . ? C43 C42 N6 120.8(7) . . ? C43 C42 C41 125.6(7) . . ? N6 C42 C41 113.5(7) . . ? C42 C43 C44 120.1(8) . . ? C45 C44 C43 119.5(9) . . ? C44 C45 C46 118.2(9) . . ? N6 C46 C45 123.0(9) . . ? C48 C47 C52 119.1(7) . . ? C48 C47 C39 119.6(8) . . ? C52 C47 C39 121.3(8) . . ? C47 C48 C49 119.9(8) . . ? C48 C49 C50 121.6(8) . . ? N8 C50 C51 121.9(8) . . ? N8 C50 C49 121.4(7) . . ? C51 C50 C49 116.6(7) . . ? C52 C51 C50 121.4(8) . . ? C51 C52 C47 121.1(8) . . ? C54 C53 C58 119.5(8) . . ? C54 C53 N8 121.5(8) . . ? C58 C53 N8 118.8(8) . . ? C55 C54 C53 120.3(9) . . ? C56 C55 C54 121.7(10) . . ? C55 C56 C57 118.6(9) . . ? C56 C57 C58 121.7(9) . . ? C53 C58 C57 118.1(9) . . ? N8 C59 C60 116.3(8) . . ? C61 C60 C59 113.9(9) . . ? C60 C61 C62 112.5(10) . . ? F4 P1 F2 177.6(5) . . ? F4 P1 F1 87.4(5) . . ? F2 P1 F1 90.4(5) . . ? F4 P1 F3 91.4(4) . . ? F2 P1 F3 90.8(5) . . ? F1 P1 F3 178.6(4) . . ? F4 P1 F6 89.2(3) . . ? F2 P1 F6 89.9(3) . . ? F1 P1 F6 90.7(3) . . ? F3 P1 F6 88.7(3) . . ? F4 P1 F5 91.3(3) . . ? F2 P1 F5 89.5(3) . . ? F1 P1 F5 89.5(3) . . ? F3 P1 F5 91.1(3) . . ? F6 P1 F5 179.4(3) . . ? F9 P2 F11 89.6(6) . . ? F9 P2 F10 94.3(6) . . ? F11 P2 F10 175.9(7) . . ? F9 P2 F12 102.0(7) . . ? F11 P2 F12 90.3(6) . . ? F10 P2 F12 90.2(6) . . ? F9 P2 F7 85.1(8) . . ? F11 P2 F7 92.6(6) . . ? F10 P2 F7 86.4(6) . . ? F12 P2 F7 172.4(7) . . ? F9 P2 F8 175.7(7) . . ? F11 P2 F8 91.1(5) . . ? F10 P2 F8 84.9(6) . . ? F12 P2 F8 82.2(5) . . ? F7 P2 F8 90.7(7) . . ? 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 N2 Ru N1 C1 177.6(7) . . . . ? N5 Ru N1 C1 -3.1(7) . . . . ? N4 Ru N1 C1 75.8(7) . . . . ? N3 Ru N1 C1 168.4(7) . . . . ? N6 Ru N1 C1 -82.1(7) . . . . ? N2 Ru N1 C5 -3.4(6) . . . . ? N5 Ru N1 C5 175.9(6) . . . . ? N4 Ru N1 C5 -105.2(5) . . . . ? N3 Ru N1 C5 -12.6(10) . . . . ? N6 Ru N1 C5 96.9(5) . . . . ? N5 Ru N2 C6 -6(8) . . . . ? N4 Ru N2 C6 96.0(7) . . . . ? N1 Ru N2 C6 4.9(6) . . . . ? N3 Ru N2 C6 -178.7(7) . . . . ? N6 Ru N2 C6 -82.0(7) . . . . ? N5 Ru N2 C10 170(7) . . . . ? N4 Ru N2 C10 -88.1(7) . . . . ? N1 Ru N2 C10 -179.2(7) . . . . ? N3 Ru N2 C10 -2.8(6) . . . . ? N6 Ru N2 C10 93.9(7) . . . . ? N2 Ru N3 C15 -172.7(7) . . . . ? N5 Ru N3 C15 7.7(7) . . . . ? N4 Ru N3 C15 -69.9(7) . . . . ? N1 Ru N3 C15 -163.6(7) . . . . ? N6 Ru N3 C15 88.7(7) . . . . ? N2 Ru N3 C11 -0.6(5) . . . . ? N5 Ru N3 C11 179.8(5) . . . . ? N4 Ru N3 C11 102.3(5) . . . . ? N1 Ru N3 C11 8.5(10) . . . . ? N6 Ru N3 C11 -99.1(5) . . . . ? N2 Ru N4 C32 0.3(7) . . . . ? N5 Ru N4 C32 177.1(7) . . . . ? N1 Ru N4 C32 79.7(6) . . . . ? N3 Ru N4 C32 -77.7(6) . . . . ? N6 Ru N4 C32 175.0(6) . . . . ? N2 Ru N4 C36 179.9(5) . . . . ? N5 Ru N4 C36 -3.3(5) . . . . ? N1 Ru N4 C36 -100.7(5) . . . . ? N3 Ru N4 C36 101.9(5) . . . . ? N6 Ru N4 C36 -5.4(10) . . . . ? N2 Ru N5 C41 -73(8) . . . . ? N4 Ru N5 C41 -176.1(7) . . . . ? N1 Ru N5 C41 -84.2(6) . . . . ? N3 Ru N5 C41 99.2(6) . . . . ? N6 Ru N5 C41 3.1(6) . . . . ? N2 Ru N5 C37 106(7) . . . . ? N4 Ru N5 C37 3.4(6) . . . . ? N1 Ru N5 C37 95.3(6) . . . . ? N3 Ru N5 C37 -81.4(6) . . . . ? N6 Ru N5 C37 -177.4(7) . . . . ? N2 Ru N6 C46 -2.4(7) . . . . ? N5 Ru N6 C46 -179.2(7) . . . . ? N4 Ru N6 C46 -177.1(6) . . . . ? N1 Ru N6 C46 -81.0(7) . . . . ? N3 Ru N6 C46 77.5(7) . . . . ? N2 Ru N6 C42 170.9(5) . . . . ? N5 Ru N6 C42 -5.9(5) . . . . ? N4 Ru N6 C42 -3.8(10) . . . . ? N1 Ru N6 C42 92.4(5) . . . . ? N3 Ru N6 C42 -109.1(5) . . . . ? C5 N1 C1 C2 0.2(12) . . . . ? Ru N1 C1 C2 179.1(7) . . . . ? N1 C1 C2 C3 -0.5(14) . . . . ? C1 C2 C3 C4 0.4(14) . . . . ? C2 C3 C4 C5 0.0(14) . . . . ? C3 C4 C5 N1 -0.4(13) . . . . ? C3 C4 C5 C6 179.0(8) . . . . ? C1 N1 C5 C4 0.3(11) . . . . ? Ru N1 C5 C4 -178.8(6) . . . . ? C1 N1 C5 C6 -179.1(7) . . . . ? Ru N1 C5 C6 1.8(8) . . . . ? C10 N2 C6 C7 1.8(12) . . . . ? Ru N2 C6 C7 177.6(6) . . . . ? C10 N2 C6 C5 178.9(7) . . . . ? Ru N2 C6 C5 -5.3(10) . . . . ? C4 C5 C6 N2 -177.3(8) . . . . ? N1 C5 C6 N2 2.1(10) . . . . ? C4 C5 C6 C7 -0.4(13) . . . . ? N1 C5 C6 C7 179.0(8) . . . . ? N2 C6 C7 C8 -3.0(13) . . . . ? C5 C6 C7 C8 -179.7(8) . . . . ? C6 C7 C8 C9 2.7(13) . . . . ? C6 C7 C8 C16 178.0(8) . . . . ? C7 C8 C9 C10 -1.3(13) . . . . ? C16 C8 C9 C10 -176.5(8) . . . . ? C6 N2 C10 C9 -0.4(12) . . . . ? Ru N2 C10 C9 -176.2(6) . . . . ? C6 N2 C10 C11 -178.8(7) . . . . ? Ru N2 C10 C11 5.4(9) . . . . ? C8 C9 C10 N2 0.1(12) . . . . ? C8 C9 C10 C11 178.3(8) . . . . ? C15 N3 C11 C12 -0.2(11) . . . . ? Ru N3 C11 C12 -173.1(6) . . . . ? C15 N3 C11 C10 176.5(7) . . . . ? Ru N3 C11 C10 3.5(8) . . . . ? N2 C10 C11 C12 170.8(8) . . . . ? C9 C10 C11 C12 -7.5(13) . . . . ? N2 C10 C11 N3 -5.7(9) . . . . ? C9 C10 C11 N3 176.1(8) . . . . ? N3 C11 C12 C13 0.2(12) . . . . ? C10 C11 C12 C13 -176.1(8) . . . . ? C11 C12 C13 C14 -0.6(13) . . . . ? C12 C13 C14 C15 1.1(14) . . . . ? C11 N3 C15 C14 0.7(12) . . . . ? Ru N3 C15 C14 172.6(7) . . . . ? C13 C14 C15 N3 -1.2(14) . . . . ? C7 C8 C16 C17 22.4(14) . . . . ? C9 C8 C16 C17 -162.5(9) . . . . ? C7 C8 C16 C21 -157.2(9) . . . . ? C9 C8 C16 C21 17.9(15) . . . . ? C21 C16 C17 C18 2.7(14) . . . . ? C8 C16 C17 C18 -176.9(8) . . . . ? C16 C17 C18 C19 -2.0(14) . . . . ? C17 C18 C19 C20 2.3(14) . . . . ? C17 C18 C19 N7 179.5(8) . . . . ? C22 N7 C19 C18 -175.6(8) . . . . ? C28 N7 C19 C18 2.0(14) . . . . ? C22 N7 C19 C20 1.6(13) . . . . ? C28 N7 C19 C20 179.2(9) . . . . ? C18 C19 C20 C21 -3.5(15) . . . . ? N7 C19 C20 C21 179.3(8) . . . . ? C19 C20 C21 C16 4.3(15) . . . . ? C17 C16 C21 C20 -3.9(15) . . . . ? C8 C16 C21 C20 175.8(9) . . . . ? C19 N7 C22 C27 89.5(11) . . . . ? C28 N7 C22 C27 -88.3(12) . . . . ? C19 N7 C22 C23 -91.8(10) . . . . ? C28 N7 C22 C23 90.4(11) . . . . ? C27 C22 C23 C24 -1.9(14) . . . . ? N7 C22 C23 C24 179.4(8) . . . . ? C22 C23 C24 C25 1.7(16) . . . . ? C23 C24 C25 C26 -0.3(18) . . . . ? C24 C25 C26 C27 -1(2) . . . . ? C23 C22 C27 C26 0.8(17) . . . . ? N7 C22 C27 C26 179.5(10) . . . . ? C25 C26 C27 C22 1(2) . . . . ? C22 N7 C28 C29 87.1(12) . . . . ? C19 N7 C28 C29 -90.5(12) . . . . ? N7 C28 C29 C30 120(4) . . . . ? C28 C29 C30 C31 -180(2) . . . . ? C36 N4 C32 C33 -0.7(11) . . . . ? Ru N4 C32 C33 178.9(6) . . . . ? N4 C32 C33 C34 -1.0(12) . . . . ? C32 C33 C34 C35 -0.2(12) . . . . ? C33 C34 C35 C36 3.2(11) . . . . ? C34 C35 C36 N4 -5.0(11) . . . . ? C34 C35 C36 C37 176.4(7) . . . . ? C32 N4 C36 C35 3.7(10) . . . . ? Ru N4 C36 C35 -175.9(6) . . . . ? C32 N4 C36 C37 -177.6(6) . . . . ? Ru N4 C36 C37 2.8(7) . . . . ? C41 N5 C37 C38 0.4(12) . . . . ? Ru N5 C37 C38 -179.1(6) . . . . ? C41 N5 C37 C36 176.6(7) . . . . ? Ru N5 C37 C36 -2.9(9) . . . . ? C35 C36 C37 N5 178.6(7) . . . . ? N4 C36 C37 N5 -0.1(9) . . . . ? C35 C36 C37 C38 -5.6(12) . . . . ? N4 C36 C37 C38 175.7(7) . . . . ? N5 C37 C38 C39 0.3(11) . . . . ? C36 C37 C38 C39 -175.3(7) . . . . ? C37 C38 C39 C40 -0.7(12) . . . . ? C37 C38 C39 C47 -179.3(7) . . . . ? C38 C39 C40 C41 0.4(12) . . . . ? C47 C39 C40 C41 179.0(7) . . . . ? C37 N5 C41 C40 -0.7(12) . . . . ? Ru N5 C41 C40 178.8(5) . . . . ? C37 N5 C41 C42 -179.4(7) . . . . ? Ru N5 C41 C42 0.0(9) . . . . ? C39 C40 C41 N5 0.2(11) . . . . ? C39 C40 C41 C42 178.9(7) . . . . ? C46 N6 C42 C43 4.8(11) . . . . ? Ru N6 C42 C43 -169.2(6) . . . . ? C46 N6 C42 C41 -178.5(7) . . . . ? Ru N6 C42 C41 7.5(8) . . . . ? N5 C41 C42 C43 171.5(8) . . . . ? C40 C41 C42 C43 -7.2(13) . . . . ? N5 C41 C42 N6 -5.1(10) . . . . ? C40 C41 C42 N6 176.3(7) . . . . ? N6 C42 C43 C44 -4.2(12) . . . . ? C41 C42 C43 C44 179.4(7) . . . . ? C42 C43 C44 C45 2.3(13) . . . . ? C43 C44 C45 C46 -1.0(14) . . . . ? C42 N6 C46 C45 -3.5(12) . . . . ? Ru N6 C46 C45 169.6(7) . . . . ? C44 C45 C46 N6 1.7(14) . . . . ? C40 C39 C47 C48 27.6(13) . . . . ? C38 C39 C47 C48 -153.8(9) . . . . ? C40 C39 C47 C52 -150.4(9) . . . . ? C38 C39 C47 C52 28.1(14) . . . . ? C52 C47 C48 C49 2.5(13) . . . . ? C39 C47 C48 C49 -175.5(8) . . . . ? C47 C48 C49 C50 0.6(13) . . . . ? C53 N8 C50 C51 -30.1(13) . . . . ? C59 N8 C50 C51 161.3(8) . . . . ? C53 N8 C50 C49 154.4(8) . . . . ? C59 N8 C50 C49 -14.2(13) . . . . ? C48 C49 C50 N8 171.4(8) . . . . ? C48 C49 C50 C51 -4.3(13) . . . . ? N8 C50 C51 C52 -170.7(8) . . . . ? C49 C50 C51 C52 5.0(13) . . . . ? C50 C51 C52 C47 -2.1(14) . . . . ? C48 C47 C52 C51 -1.8(13) . . . . ? C39 C47 C52 C51 176.2(8) . . . . ? C50 N8 C53 C54 -56.3(12) . . . . ? C59 N8 C53 C54 112.6(10) . . . . ? C50 N8 C53 C58 128.2(9) . . . . ? C59 N8 C53 C58 -62.9(11) . . . . ? C58 C53 C54 C55 -1.2(13) . . . . ? N8 C53 C54 C55 -176.6(8) . . . . ? C53 C54 C55 C56 0.2(15) . . . . ? C54 C55 C56 C57 0.4(16) . . . . ? C55 C56 C57 C58 0.0(16) . . . . ? C54 C53 C58 C57 1.6(12) . . . . ? N8 C53 C58 C57 177.2(8) . . . . ? C56 C57 C58 C53 -1.0(14) . . . . ? C50 N8 C59 C60 89.2(10) . . . . ? C53 N8 C59 C60 -79.7(10) . . . . ? N8 C59 C60 C61 -176.6(8) . . . . ? C59 C60 C61 C62 179.3(8) . . . . ? _diffrn_measured_fraction_theta_max 0.975 _diffrn_reflns_theta_full 26.06 _diffrn_measured_fraction_theta_full 0.975 _refine_diff_density_max 0.850 _refine_diff_density_min -0.616 _refine_diff_density_rms 0.083