Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2002 data_md24 _database_code_CSD 187996 _journal_coden_Cambridge 186 loop_ _publ_author_name 'J. Vos' 'Wesley R. Browne' 'Manfred Doering' 'J. F. Gallagher' 'Ronald Hage' 'Helen P. Hughes' ; Christine M. O'Connor ; 'Olaf Walter' _publ_contact_author_name 'Dr J Vos' _publ_contact_author_address ; School of Chemical Sciences Dublin City University Dublin 9 IRELAND ; _publ_contact_author_phone '0035317005307' _publ_contact_author_fax '0035317005503' _publ_contact_author_email 'johannes.vos@dcu.ie' _publ_requested_journal 'J. Chem. Soc. Dalton Trans.' _publ_requested_coeditor_name ? _publ_contact_letter ; ? ; #=========================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; Ruthenium(II) and Osmium(II) Polypyridyl Complexes of asymmetric pyrazinyl- and pridinyl-1,2,4-triazole based ligands. Part 1: Connectivity and physical properties of mononuclear complexes. ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C32 H26 F6 N10 O P Ru' _chemical_formula_weight 813.67 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' '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' 'O' 'O' 0.0106 0.0060 '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 9.9097(7) _cell_length_b 12.5731(9) _cell_length_c 14.1156(10) _cell_angle_alpha 93.8570(10) _cell_angle_beta 93.4100(10) _cell_angle_gamma 111.4390(10) _cell_volume 1626.6(2) _cell_formula_units_Z 2 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.6 _exptl_crystal_size_mid 0.5 _exptl_crystal_size_min 0.4 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.661 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 820 _exptl_absorpt_coefficient_mu 0.612 _exptl_absorpt_correction_type ' psi-scans |saint|' _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(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 ' Siemens SMART 1000 CCD diffractometer' _diffrn_measurement_method w-scans _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 'no decay' _diffrn_reflns_number 17142 _diffrn_reflns_av_R_equivalents 0.0185 _diffrn_reflns_av_sigmaI/netI 0.0243 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.45 _diffrn_reflns_theta_max 28.30 _reflns_number_total 7634 _reflns_number_gt 6844 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0337P)^2^+1.2121P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 7634 _refine_ls_number_parameters 469 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0342 _refine_ls_R_factor_gt 0.0293 _refine_ls_wR_factor_ref 0.0749 _refine_ls_wR_factor_gt 0.0726 _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_restrained_S_all 1.048 _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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.472833(17) 0.253630(13) 0.200615(11) 0.02147(5) Uani 1 d . . . P1 P 0.22633(6) -0.19294(5) -0.56661(4) 0.03076(12) Uani 1 d . . . F11 F 0.05815(16) -0.21778(14) -0.59992(11) 0.0486(4) Uani 1 d . . . F12 F 0.17553(17) -0.25939(13) -0.47403(10) 0.0445(3) Uani 1 d . . . F13 F 0.2372(2) -0.07620(13) -0.50922(11) 0.0526(4) Uani 1 d . . . F14 F 0.39036(17) -0.17035(17) -0.53273(13) 0.0623(5) Uani 1 d . . . F15 F 0.27299(18) -0.12768(14) -0.65956(11) 0.0514(4) Uani 1 d . . . F16 F 0.20972(19) -0.31147(13) -0.62450(11) 0.0519(4) Uani 1 d . . . N1 N 0.61998(18) 0.35782(14) 0.31341(12) 0.0233(3) Uani 1 d . . . N2 N 0.66276(18) 0.31251(14) 0.13727(12) 0.0222(3) Uani 1 d . . . N3 N 0.70704(18) 0.29206(14) 0.05128(12) 0.0238(3) Uani 1 d . . . N4 N 0.90548(18) 0.40247(14) 0.15139(12) 0.0250(3) Uani 1 d . . . N5 N 0.8836(2) 0.28772(16) -0.09728(13) 0.0317(4) Uani 1 d . . . N6 N 1.1872(2) 0.39531(17) -0.06266(14) 0.0325(4) Uani 1 d . . . N7 N 0.51227(18) 0.10566(14) 0.21685(12) 0.0237(3) Uani 1 d . . . N8 N 0.34754(17) 0.14821(14) 0.08570(12) 0.0241(3) Uani 1 d . . . N9 N 0.29003(19) 0.21262(15) 0.27340(13) 0.0275(4) Uani 1 d . . . N10 N 0.41610(18) 0.39374(14) 0.18440(12) 0.0237(3) Uani 1 d . . . C1 C 0.5878(2) 0.38271(19) 0.40124(15) 0.0298(4) Uani 1 d . . . H1 H 0.4936 0.3455 0.4177 0.037(3) Uiso 1 calc R . . C2 C 0.6887(3) 0.4611(2) 0.46814(16) 0.0347(5) Uani 1 d . . . H2 H 0.6622 0.4765 0.5281 0.037(3) Uiso 1 calc R . . C3 C 0.8293(3) 0.5166(2) 0.44514(16) 0.0346(5) Uani 1 d . . . H3 H 0.8987 0.5699 0.4892 0.037(3) Uiso 1 calc R . . C4 C 0.8653(2) 0.49134(18) 0.35519(15) 0.0295(4) Uani 1 d . . . H4 H 0.9592 0.5276 0.3379 0.037(3) Uiso 1 calc R . . C5 C 0.7594(2) 0.41131(17) 0.29137(14) 0.0243(4) Uani 1 d . . . C6 C 0.7823(2) 0.37817(16) 0.19448(14) 0.0235(4) Uani 1 d . . . C7 C 0.8526(2) 0.34758(16) 0.06333(14) 0.0234(4) Uani 1 d . . . C8 C 0.9466(2) 0.34495(17) -0.01284(14) 0.0241(4) Uani 1 d . . . C9 C 1.0973(2) 0.39877(19) 0.00310(15) 0.0290(4) Uani 1 d . . . H9 H 1.1370 0.4389 0.0622 0.040(4) Uiso 1 calc R . . C10 C 1.1236(3) 0.3387(2) -0.14681(17) 0.0349(5) Uani 1 d . . . H10 H 1.1814 0.3346 -0.1954 0.040(4) Uiso 1 calc R . . C11 C 0.9742(3) 0.2860(2) -0.16352(16) 0.0366(5) Uani 1 d . . . H11 H 0.9348 0.2478 -0.2233 0.040(4) Uiso 1 calc R . . C12 C 0.5996(2) 0.09080(18) 0.28685(16) 0.0309(5) Uani 1 d . . . H12 H 0.6449 0.1506 0.3343 0.037(3) Uiso 1 calc R . . C13 C 0.6248(3) -0.01000(19) 0.29106(17) 0.0345(5) Uani 1 d . . . H13 H 0.6853 -0.0178 0.3408 0.037(3) Uiso 1 calc R . . C14 C 0.5590(3) -0.09877(19) 0.22064(17) 0.0336(5) Uani 1 d . . . H14 H 0.5761 -0.1667 0.2217 0.037(3) Uiso 1 calc R . . C15 C 0.4674(2) -0.08564(18) 0.14844(16) 0.0291(4) Uani 1 d . . . H15 H 0.4211 -0.1449 0.1008 0.037(3) Uiso 1 calc R . . C16 C 0.4456(2) 0.01718(17) 0.14816(14) 0.0241(4) Uani 1 d . . . C17 C 0.3501(2) 0.04079(17) 0.07523(15) 0.0240(4) Uani 1 d . . . C18 C 0.2668(2) -0.04001(18) 0.00170(16) 0.0307(4) Uani 1 d . . . H18 H 0.2709 -0.1128 -0.0044 0.041(4) Uiso 1 calc R . . C19 C 0.1779(3) -0.0111(2) -0.06206(18) 0.0382(5) Uani 1 d . . . H19 H 0.1203 -0.0644 -0.1111 0.041(4) Uiso 1 calc R . . C20 C 0.1758(3) 0.0985(2) -0.05180(19) 0.0399(5) Uani 1 d . . . H20 H 0.1171 0.1199 -0.0942 0.041(4) Uiso 1 calc R . . C21 C 0.2616(2) 0.17558(19) 0.02183(17) 0.0329(5) Uani 1 d . . . H21 H 0.2602 0.2493 0.0277 0.041(4) Uiso 1 calc R . . C22 C 0.2240(3) 0.1123(2) 0.31081(18) 0.0390(5) Uani 1 d . . . H22 H 0.2676 0.0582 0.3087 0.049(4) Uiso 1 calc R . . C23 C 0.0944(3) 0.0869(2) 0.3521(2) 0.0492(7) Uani 1 d . . . H23 H 0.0517 0.0169 0.3771 0.049(4) Uiso 1 calc R . . C24 C 0.0290(3) 0.1668(2) 0.3557(2) 0.0481(7) Uani 1 d . . . H24 H -0.0588 0.1511 0.3827 0.049(4) Uiso 1 calc R . . C25 C 0.0955(3) 0.2704(2) 0.31862(18) 0.0385(5) Uani 1 d . . . H25 H 0.0530 0.3253 0.3208 0.049(4) Uiso 1 calc R . . C26 C 0.2259(2) 0.29205(18) 0.27820(15) 0.0273(4) Uani 1 d . . . C27 C 0.3042(2) 0.39814(17) 0.23449(15) 0.0254(4) Uani 1 d . . . C28 C 0.2696(2) 0.49553(19) 0.24191(17) 0.0320(5) Uani 1 d . . . H28 H 0.1961 0.4983 0.2789 0.039(4) Uiso 1 calc R . . C29 C 0.3451(2) 0.58859(19) 0.19399(18) 0.0356(5) Uani 1 d . . . H29 H 0.3231 0.6545 0.1983 0.039(4) Uiso 1 calc R . . C30 C 0.4536(3) 0.58215(19) 0.13970(18) 0.0345(5) Uani 1 d . . . H30 H 0.5036 0.6428 0.1053 0.039(4) Uiso 1 calc R . . C31 C 0.4872(2) 0.48419(18) 0.13707(16) 0.0289(4) Uani 1 d . . . H31 H 0.5616 0.4809 0.1012 0.039(4) Uiso 1 calc R . . O100 O 0.7746(4) -0.2115(3) -0.6550(2) 0.1086(11) Uani 1 d . . . C100 C 0.6710(6) -0.2517(4) -0.5900(3) 0.0937(15) Uani 1 d . . . H10A H 0.6971 -0.3023 -0.5511 0.088(8) Uiso 1 calc R . . H10B H 0.5772 -0.2925 -0.6238 0.088(8) Uiso 1 calc R . . H10C H 0.6676 -0.1880 -0.5501 0.088(8) Uiso 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.02212(8) 0.01745(8) 0.02535(9) 0.00048(6) 0.00529(6) 0.00774(6) P1 0.0320(3) 0.0314(3) 0.0284(3) 0.0010(2) 0.0041(2) 0.0114(2) F11 0.0364(8) 0.0635(10) 0.0464(9) 0.0056(7) -0.0005(6) 0.0198(7) F12 0.0580(9) 0.0458(8) 0.0352(8) 0.0118(6) 0.0108(7) 0.0233(7) F13 0.0771(11) 0.0348(8) 0.0437(9) -0.0055(7) 0.0046(8) 0.0197(8) F14 0.0342(8) 0.0835(13) 0.0659(12) 0.0043(10) -0.0016(8) 0.0193(8) F15 0.0603(10) 0.0499(9) 0.0397(8) 0.0132(7) 0.0164(7) 0.0121(8) F16 0.0707(11) 0.0425(9) 0.0466(9) -0.0063(7) 0.0093(8) 0.0271(8) N1 0.0280(8) 0.0187(8) 0.0246(8) 0.0012(6) 0.0050(7) 0.0099(7) N2 0.0241(8) 0.0202(8) 0.0231(8) -0.0005(6) 0.0042(6) 0.0092(6) N3 0.0254(8) 0.0219(8) 0.0245(8) -0.0009(6) 0.0044(7) 0.0094(7) N4 0.0255(8) 0.0241(8) 0.0253(9) 0.0006(7) 0.0046(7) 0.0093(7) N5 0.0319(9) 0.0338(10) 0.0276(9) -0.0017(8) 0.0022(7) 0.0108(8) N6 0.0304(9) 0.0383(10) 0.0323(10) 0.0071(8) 0.0089(8) 0.0150(8) N7 0.0246(8) 0.0197(8) 0.0267(9) 0.0012(6) 0.0042(7) 0.0081(6) N8 0.0212(8) 0.0221(8) 0.0289(9) 0.0022(7) 0.0047(7) 0.0076(6) N9 0.0269(9) 0.0240(9) 0.0314(9) 0.0033(7) 0.0084(7) 0.0083(7) N10 0.0244(8) 0.0206(8) 0.0261(8) -0.0015(6) 0.0033(7) 0.0087(6) C1 0.0350(11) 0.0298(11) 0.0268(11) 0.0014(8) 0.0076(9) 0.0139(9) C2 0.0455(13) 0.0361(12) 0.0258(11) -0.0010(9) 0.0075(9) 0.0189(10) C3 0.0412(13) 0.0316(11) 0.0285(11) -0.0052(9) -0.0028(9) 0.0127(10) C4 0.0307(11) 0.0273(10) 0.0292(11) -0.0011(8) 0.0016(9) 0.0102(9) C5 0.0285(10) 0.0208(9) 0.0248(10) 0.0014(7) 0.0035(8) 0.0104(8) C6 0.0250(9) 0.0201(9) 0.0255(10) 0.0001(7) 0.0022(8) 0.0089(7) C7 0.0253(9) 0.0212(9) 0.0249(10) 0.0015(7) 0.0036(8) 0.0097(8) C8 0.0284(10) 0.0218(9) 0.0246(10) 0.0041(7) 0.0049(8) 0.0114(8) C9 0.0286(10) 0.0327(11) 0.0264(10) 0.0021(9) 0.0032(8) 0.0121(9) C10 0.0417(13) 0.0382(12) 0.0322(12) 0.0092(10) 0.0148(10) 0.0207(10) C11 0.0428(13) 0.0423(13) 0.0245(11) -0.0012(9) 0.0046(9) 0.0162(11) C12 0.0357(11) 0.0248(10) 0.0301(11) -0.0007(8) -0.0022(9) 0.0102(9) C13 0.0380(12) 0.0294(11) 0.0372(12) 0.0051(9) -0.0051(10) 0.0146(9) C14 0.0381(12) 0.0227(10) 0.0414(13) 0.0038(9) -0.0003(10) 0.0136(9) C15 0.0324(11) 0.0206(10) 0.0328(11) 0.0000(8) 0.0018(9) 0.0086(8) C16 0.0235(9) 0.0208(9) 0.0263(10) 0.0008(8) 0.0041(8) 0.0061(7) C17 0.0233(9) 0.0206(9) 0.0277(10) 0.0027(8) 0.0058(8) 0.0069(7) C18 0.0331(11) 0.0229(10) 0.0335(11) -0.0007(8) 0.0017(9) 0.0080(8) C19 0.0400(13) 0.0317(12) 0.0369(13) -0.0035(10) -0.0076(10) 0.0090(10) C20 0.0399(13) 0.0380(13) 0.0425(14) 0.0019(11) -0.0099(11) 0.0178(11) C21 0.0340(11) 0.0289(11) 0.0380(12) 0.0023(9) -0.0016(9) 0.0152(9) C22 0.0442(13) 0.0297(12) 0.0464(14) 0.0102(10) 0.0192(11) 0.0141(10) C23 0.0489(15) 0.0356(13) 0.0619(18) 0.0141(12) 0.0285(13) 0.0091(12) C24 0.0369(13) 0.0495(15) 0.0571(17) 0.0074(13) 0.0269(12) 0.0114(11) C25 0.0318(12) 0.0397(13) 0.0450(14) -0.0020(11) 0.0120(10) 0.0142(10) C26 0.0259(10) 0.0268(10) 0.0286(10) -0.0011(8) 0.0042(8) 0.0096(8) C27 0.0247(9) 0.0242(10) 0.0271(10) -0.0016(8) 0.0013(8) 0.0097(8) C28 0.0306(11) 0.0313(11) 0.0363(12) -0.0055(9) 0.0011(9) 0.0159(9) C29 0.0353(12) 0.0241(10) 0.0496(14) -0.0024(10) -0.0024(10) 0.0157(9) C30 0.0370(12) 0.0226(10) 0.0423(13) 0.0047(9) 0.0009(10) 0.0091(9) C31 0.0285(10) 0.0246(10) 0.0333(11) 0.0034(8) 0.0054(9) 0.0089(8) O100 0.101(2) 0.162(3) 0.096(2) 0.040(2) 0.0257(19) 0.080(2) C100 0.137(4) 0.106(3) 0.080(3) 0.043(3) 0.042(3) 0.083(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 N2 2.0398(16) . ? Ru1 N8 2.0488(17) . ? Ru1 N9 2.0525(17) . ? Ru1 N10 2.0579(16) . ? Ru1 N7 2.0603(16) . ? Ru1 N1 2.1033(17) . ? P1 F14 1.5823(16) . ? P1 F13 1.5925(15) . ? P1 F15 1.5963(15) . ? P1 F16 1.5991(15) . ? P1 F12 1.6053(15) . ? P1 F11 1.6132(15) . ? N1 C1 1.343(3) . ? N1 C5 1.363(3) . ? N2 C6 1.348(3) . ? N2 N3 1.355(2) . ? N3 C7 1.348(3) . ? N4 C6 1.340(3) . ? N4 C7 1.356(3) . ? N5 C11 1.338(3) . ? N5 C8 1.340(3) . ? N6 C9 1.333(3) . ? N6 C10 1.336(3) . ? N7 C12 1.342(3) . ? N7 C16 1.362(3) . ? N8 C21 1.349(3) . ? N8 C17 1.359(2) . ? N9 C22 1.351(3) . ? N9 C26 1.366(3) . ? N10 C31 1.345(3) . ? N10 C27 1.365(3) . ? C1 C2 1.380(3) . ? C2 C3 1.381(3) . ? C3 C4 1.387(3) . ? C4 C5 1.385(3) . ? C5 C6 1.458(3) . ? C7 C8 1.470(3) . ? C8 C9 1.393(3) . ? C10 C11 1.381(3) . ? C12 C13 1.382(3) . ? C13 C14 1.379(3) . ? C14 C15 1.383(3) . ? C15 C16 1.387(3) . ? C16 C17 1.474(3) . ? C17 C18 1.391(3) . ? C18 C19 1.379(3) . ? C19 C20 1.384(3) . ? C20 C21 1.378(3) . ? C22 C23 1.380(3) . ? C23 C24 1.380(4) . ? C24 C25 1.382(4) . ? C25 C26 1.386(3) . ? C26 C27 1.474(3) . ? C27 C28 1.387(3) . ? C28 C29 1.383(3) . ? C29 C30 1.379(3) . ? C30 C31 1.387(3) . ? O100 C100 1.396(5) . ? 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 Ru1 N8 96.92(6) . . ? N2 Ru1 N9 173.35(7) . . ? N8 Ru1 N9 88.76(7) . . ? N2 Ru1 N10 96.79(6) . . ? N8 Ru1 N10 98.70(7) . . ? N9 Ru1 N10 78.87(7) . . ? N2 Ru1 N7 87.28(6) . . ? N8 Ru1 N7 78.72(7) . . ? N9 Ru1 N7 97.25(7) . . ? N10 Ru1 N7 175.45(6) . . ? N2 Ru1 N1 77.98(6) . . ? N8 Ru1 N1 173.94(6) . . ? N9 Ru1 N1 96.54(7) . . ? N10 Ru1 N1 85.25(6) . . ? N7 Ru1 N1 97.64(6) . . ? F14 P1 F13 91.09(10) . . ? F14 P1 F15 91.50(10) . . ? F13 P1 F15 90.41(9) . . ? F14 P1 F16 90.72(10) . . ? F13 P1 F16 178.13(10) . . ? F15 P1 F16 90.05(9) . . ? F14 P1 F12 89.82(9) . . ? F13 P1 F12 89.70(8) . . ? F15 P1 F12 178.68(9) . . ? F16 P1 F12 89.80(9) . . ? F14 P1 F11 178.98(10) . . ? F13 P1 F11 89.24(9) . . ? F15 P1 F11 89.47(9) . . ? F16 P1 F11 88.94(9) . . ? F12 P1 F11 89.22(8) . . ? C1 N1 C5 117.75(18) . . ? C1 N1 Ru1 126.61(15) . . ? C5 N1 Ru1 115.45(13) . . ? C6 N2 N3 107.46(16) . . ? C6 N2 Ru1 116.13(13) . . ? N3 N2 Ru1 135.86(13) . . ? C7 N3 N2 103.64(16) . . ? C6 N4 C7 100.82(16) . . ? C11 N5 C8 115.9(2) . . ? C9 N6 C10 115.8(2) . . ? C12 N7 C16 118.22(17) . . ? C12 N7 Ru1 125.85(14) . . ? C16 N7 Ru1 115.91(13) . . ? C21 N8 C17 118.03(18) . . ? C21 N8 Ru1 125.76(14) . . ? C17 N8 Ru1 116.19(13) . . ? C22 N9 C26 118.09(18) . . ? C22 N9 Ru1 125.82(15) . . ? C26 N9 Ru1 115.95(14) . . ? C31 N10 C27 118.25(17) . . ? C31 N10 Ru1 125.94(14) . . ? C27 N10 Ru1 115.49(13) . . ? N1 C1 C2 122.8(2) . . ? C1 C2 C3 119.4(2) . . ? C2 C3 C4 118.8(2) . . ? C5 C4 C3 119.1(2) . . ? N1 C5 C4 122.20(19) . . ? N1 C5 C6 113.20(17) . . ? C4 C5 C6 124.58(19) . . ? N4 C6 N2 113.06(17) . . ? N4 C6 C5 130.20(18) . . ? N2 C6 C5 116.74(17) . . ? N3 C7 N4 115.01(17) . . ? N3 C7 C8 122.04(18) . . ? N4 C7 C8 122.92(18) . . ? N5 C8 C9 120.96(19) . . ? N5 C8 C7 118.29(18) . . ? C9 C8 C7 120.74(19) . . ? N6 C9 C8 122.9(2) . . ? N6 C10 C11 121.7(2) . . ? N5 C11 C10 122.8(2) . . ? N7 C12 C13 122.5(2) . . ? C14 C13 C12 119.2(2) . . ? C13 C14 C15 119.2(2) . . ? C14 C15 C16 119.0(2) . . ? N7 C16 C15 121.83(19) . . ? N7 C16 C17 114.32(17) . . ? C15 C16 C17 123.85(18) . . ? N8 C17 C18 121.80(19) . . ? N8 C17 C16 114.80(17) . . ? C18 C17 C16 123.39(18) . . ? C19 C18 C17 119.4(2) . . ? C18 C19 C20 118.9(2) . . ? C21 C20 C19 119.4(2) . . ? N8 C21 C20 122.5(2) . . ? N9 C22 C23 122.7(2) . . ? C24 C23 C22 119.0(2) . . ? C23 C24 C25 119.2(2) . . ? C24 C25 C26 119.6(2) . . ? N9 C26 C25 121.4(2) . . ? N9 C26 C27 114.42(17) . . ? C25 C26 C27 124.1(2) . . ? N10 C27 C28 121.5(2) . . ? N10 C27 C26 114.44(17) . . ? C28 C27 C26 124.10(19) . . ? C29 C28 C27 119.5(2) . . ? C30 C29 C28 119.0(2) . . ? C29 C30 C31 119.2(2) . . ? N10 C31 C30 122.4(2) . . ? _diffrn_measured_fraction_theta_max 0.945 _diffrn_reflns_theta_full 28.30 _diffrn_measured_fraction_theta_full 0.945 _refine_diff_density_max 0.702 _refine_diff_density_min -0.524 _refine_diff_density_rms 0.064