Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 data_Ru2Ag2 _database_code_CSD 156515 _journal_coden_Cambridge 182 _publ_requested_journal 'Chemical Communications' loop_ _publ_author_name 'Castineiras, Alfonso' 'Goswami, Sreebrata' 'Kamar, Kunal K.' 'Majumdar, Partha' _publ_contact_author_name 'Dr Sreebrata Goswami' _publ_contact_author_address ; Dr Sreebrata Goswami Department of Inorganic Chemistry Indian Association for the Cultivation of Science Calcutta 700 032 INDIA ; _publ_contact_author_email 'icsg@mahendra.iacs.res.in' _publ_section_title ; Unusual binding mode of the biimidazolate bridging ligand in two novel hetero-polynuclear complexes with M2Ag2 [M=Ru(RuII) and Os(II)] core ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H46 Ag2 Cl2 N20 O9 Ru2' _chemical_formula_weight 1631.91 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Ag' 'Ag' 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'C' 'C' 0.0181 0.0091 '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' _symmetry_cell_setting 'Orthorhombic' _symmetry_space_group_name_H-M 'Pnna' #(No. 52) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z' 'x, -y+1/2, -z+1/2' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z' '-x, y-1/2, z-1/2' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 34.037(5) _cell_length_b 19.467(4) _cell_length_c 10.0362(12) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6650.2(19) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 21.813 _cell_measurement_theta_max 23.650 _exptl_crystal_description plate _exptl_crystal_colour violet _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.630 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3240 _exptl_absorpt_coefficient_mu 9.572 _exptl_absorpt_correction_type 'Psi-scan' _exptl_absorpt_correction_T_min 0.648 _exptl_absorpt_correction_T_max 0.973 _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CAD4 Enraf Nonius' _diffrn_measurement_method omega _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 0 _diffrn_reflns_number 7708 _diffrn_reflns_av_R_equivalents 0.2122 _diffrn_reflns_av_sigmaI/netI 0.1357 _diffrn_reflns_limit_h_min -42 _diffrn_reflns_limit_h_max 0 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.60 _diffrn_reflns_theta_max 75.89 _reflns_number_total 6955 _reflns_number_gt 2834 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CAD4-Express Software (Nonius, 1994)' _computing_cell_refinement 'CAD4-Express Software (Nonius, 1994)' _computing_data_reduction 'GENHKL (Kretschmar, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'PLATON99 (Spek, 1999)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.1437P)^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 noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6955 _refine_ls_number_parameters 383 _refine_ls_number_restraints 15 _refine_ls_R_factor_all 0.1778 _refine_ls_R_factor_gt 0.0782 _refine_ls_wR_factor_ref 0.2514 _refine_ls_wR_factor_gt 0.2151 _refine_ls_goodness_of_fit_ref 0.876 _refine_ls_restrained_S_all 0.878 _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_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.17263(4) 0.2500 0.2500 0.0660(4) Uani 1 d S . . Ag2 Ag 0.08772(4) 0.2500 0.2500 0.0700(4) Uani 1 d S . . Ru1 Ru 0.12602(2) 0.45361(4) 0.67115(9) 0.0507(2) Uani 1 d . . . N11 N 0.1601(3) 0.3967(5) 0.7970(9) 0.053(2) Uani 1 d . . . N12 N 0.1985(3) 0.4969(5) 0.7891(11) 0.067(3) Uani 1 d . . . N13 N 0.1677(3) 0.5191(5) 0.7244(9) 0.056(2) Uani 1 d . . . N21 N 0.0929(3) 0.5138(5) 0.5528(9) 0.056(2) Uani 1 d . . . N22 N 0.0497(3) 0.5100(5) 0.7369(10) 0.059(3) Uani 1 d . . . N23 N 0.0800(3) 0.4787(5) 0.7874(10) 0.059(3) Uani 1 d . . . N31 N 0.1614(3) 0.4205(5) 0.5148(10) 0.057(2) Uani 1 d . . . N32 N 0.1723(3) 0.3433(5) 0.3512(10) 0.062(3) Uani 1 d . . . N41 N 0.0951(3) 0.3681(5) 0.6006(10) 0.061(3) Uani 1 d . . . N42 N 0.0881(3) 0.2857(5) 0.4462(10) 0.060(3) Uani 1 d . . . C11 C 0.1552(4) 0.3326(6) 0.8460(12) 0.059(3) Uani 1 d . . . H11 H 0.1315 0.3106 0.8286 0.071 Uiso 1 calc R . . C12 C 0.1818(4) 0.2987(7) 0.9171(14) 0.075(4) Uani 1 d . . . H12 H 0.1776 0.2535 0.9437 0.090 Uiso 1 calc R . . C13 C 0.2161(4) 0.3335(8) 0.9505(15) 0.081(4) Uani 1 d . . . H13 H 0.2355 0.3112 0.9992 0.098 Uiso 1 calc R . . C14 C 0.2215(4) 0.3996(7) 0.9126(16) 0.076(4) Uani 1 d . . . H14 H 0.2435 0.4244 0.9400 0.091 Uiso 1 calc R . . C15 C 0.1937(3) 0.4284(7) 0.8328(14) 0.062(3) Uani 1 d . . . C16 C 0.1747(4) 0.5894(6) 0.6725(15) 0.067(3) Uani 1 d . . . C17 C 0.1410(4) 0.6311(7) 0.6693(13) 0.068(3) Uani 1 d . . . H17 H 0.1169 0.6162 0.7018 0.081 Uiso 1 calc R . . C18 C 0.1459(5) 0.6957(7) 0.6151(19) 0.100(6) Uani 1 d . . . H18 H 0.1247 0.7255 0.6067 0.120 Uiso 1 calc R . . C19 C 0.1840(6) 0.7154(8) 0.5725(19) 0.112(6) Uani 1 d . . . H19 H 0.1874 0.7588 0.5354 0.135 Uiso 1 calc R . . C110 C 0.2159(5) 0.6733(7) 0.584(2) 0.131(8) Uani 1 d . . . H110 H 0.2407 0.6882 0.5571 0.157 Uiso 1 calc R . . C111 C 0.2108(4) 0.6088(7) 0.6349(15) 0.077(4) Uani 1 d . . . H111 H 0.2319 0.5790 0.6434 0.092 Uiso 1 calc R . . C21 C 0.1007(4) 0.5393(7) 0.4305(14) 0.076(4) Uani 1 d . . . H21 H 0.1249 0.5287 0.3926 0.091 Uiso 1 calc R . . C22 C 0.0761(5) 0.5786(8) 0.3597(18) 0.098(5) Uani 1 d . . . H22 H 0.0828 0.5949 0.2755 0.118 Uiso 1 calc R . . C23 C 0.0405(5) 0.5939(9) 0.4168(18) 0.107(6) Uani 1 d . . . H23 H 0.0228 0.6209 0.3694 0.129 Uiso 1 calc R . . C24 C 0.0303(4) 0.5718(7) 0.5366(18) 0.084(4) Uani 1 d . . . H24 H 0.0060 0.5825 0.5738 0.101 Uiso 1 calc R . . C25 C 0.0580(4) 0.5315(6) 0.6048(16) 0.068(4) Uani 1 d . . . C26 C 0.0730(5) 0.4573(6) 0.9204(14) 0.072(4) Uani 1 d . . . C27 C 0.1046(5) 0.4563(8) 1.0085(14) 0.082(4) Uani 1 d . . . H27 H 0.1296 0.4714 0.9852 0.098 Uiso 1 calc R . . C28 C 0.0951(6) 0.4297(10) 1.1405(15) 0.118(8) Uani 1 d . . . H28 H 0.1148 0.4273 1.2045 0.141 Uiso 1 calc R . . C29 C 0.0584(7) 0.4085(10) 1.173(2) 0.123(8) Uani 1 d . . . H29 H 0.0534 0.3943 1.2594 0.148 Uiso 1 calc R . . C210 C 0.0292(6) 0.4072(9) 1.0846(18) 0.095(5) Uani 1 d . . . H210 H 0.0045 0.3911 1.1093 0.114 Uiso 1 calc R . . C211 C 0.0357(5) 0.4300(8) 0.9566(18) 0.087(4) Uani 1 d . . . H211 H 0.0157 0.4276 0.8937 0.105 Uiso 1 calc R . . C31 C 0.1473(3) 0.3650(6) 0.4497(11) 0.051(3) Uani 1 d . . . C32 C 0.1964(3) 0.4370(7) 0.4564(13) 0.066(4) Uani 1 d . . . H32 H 0.2126 0.4733 0.4807 0.079 Uiso 1 calc R . . C33 C 0.2034(4) 0.3914(7) 0.3572(12) 0.066(3) Uani 1 d . . . H33 H 0.2253 0.3916 0.3018 0.079 Uiso 1 calc R . . C41 C 0.1101(3) 0.3379(6) 0.4933(13) 0.058(3) Uani 1 d . . . C42 C 0.0613(3) 0.3322(7) 0.6261(14) 0.069(4) Uani 1 d . . . H42 H 0.0439 0.3417 0.6949 0.083 Uiso 1 calc R . . C43 C 0.0571(4) 0.2810(7) 0.5368(14) 0.072(4) Uani 1 d . . . H43 H 0.0371 0.2484 0.5357 0.086 Uiso 1 calc R . . O1 O 0.2591(6) 0.2500 0.2500 0.167(8) Uani 1 d S . . Cl1 Cl 0.3146(4) 0.4047(7) 0.1518(14) 0.315(6) Uiso 1 d . . . O11 O 0.3001(8) 0.4714(13) 0.159(3) 0.378 Uiso 1 d D . . O12 O 0.2829(8) 0.3459(14) 0.159(3) 0.378 Uiso 1 d D . . O13 O 0.3401(9) 0.3900(15) 0.030(3) 0.378 Uiso 1 d D . . O14 O 0.3414(9) 0.3856(16) 0.281(3) 0.378 Uiso 1 d 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 Ag1 0.0653(7) 0.0679(9) 0.0648(9) -0.0195(7) 0.000 0.000 Ag2 0.0629(7) 0.0781(10) 0.0691(9) -0.0247(8) 0.000 0.000 Ru1 0.0505(4) 0.0483(4) 0.0534(5) -0.0047(4) 0.0004(4) 0.0015(4) N11 0.053(5) 0.055(6) 0.049(6) 0.000(4) 0.001(4) -0.002(4) N12 0.052(5) 0.063(7) 0.085(8) 0.015(6) -0.019(5) -0.015(5) N13 0.058(6) 0.059(6) 0.051(6) 0.001(5) 0.002(4) -0.010(4) N21 0.060(6) 0.062(6) 0.046(6) -0.002(5) -0.016(5) 0.010(5) N22 0.061(6) 0.061(6) 0.056(6) 0.002(5) -0.008(5) 0.016(5) N23 0.075(6) 0.051(6) 0.051(6) -0.011(5) 0.011(5) -0.002(5) N31 0.058(5) 0.060(6) 0.053(6) 0.001(5) 0.004(5) 0.006(5) N32 0.071(6) 0.058(6) 0.057(6) -0.014(5) 0.006(5) 0.001(5) N41 0.059(6) 0.073(7) 0.052(6) -0.012(5) -0.005(5) -0.005(5) N42 0.062(6) 0.069(7) 0.050(6) -0.013(5) -0.001(5) -0.007(5) C11 0.070(7) 0.046(7) 0.060(8) 0.009(6) 0.012(6) -0.001(5) C12 0.095(10) 0.069(9) 0.063(9) 0.007(7) -0.008(8) 0.005(8) C13 0.070(8) 0.084(10) 0.090(11) 0.020(9) -0.014(8) -0.002(8) C14 0.056(7) 0.062(8) 0.110(12) 0.010(9) -0.011(8) -0.009(6) C15 0.046(6) 0.072(8) 0.067(8) 0.016(7) -0.011(6) 0.003(5) C16 0.076(8) 0.050(7) 0.077(9) 0.008(7) -0.019(8) -0.005(6) C17 0.078(8) 0.068(8) 0.058(8) -0.006(7) -0.002(7) -0.001(6) C18 0.105(11) 0.044(8) 0.152(17) 0.010(10) 0.022(12) 0.013(8) C19 0.166(18) 0.054(9) 0.117(16) 0.026(10) -0.021(14) 0.010(11) C110 0.106(12) 0.047(9) 0.24(2) 0.038(12) 0.073(15) -0.002(8) C111 0.070(8) 0.066(9) 0.093(11) 0.021(8) 0.018(8) -0.002(7) C21 0.083(9) 0.081(10) 0.065(9) -0.002(8) -0.017(7) 0.028(8) C22 0.095(11) 0.111(13) 0.088(13) 0.012(10) 0.013(10) 0.031(10) C23 0.098(12) 0.126(15) 0.098(13) 0.041(12) -0.019(11) 0.026(11) C24 0.067(8) 0.086(10) 0.099(12) 0.010(10) -0.016(9) 0.004(8) C25 0.060(7) 0.044(7) 0.100(11) 0.009(7) -0.006(7) 0.010(5) C26 0.104(10) 0.050(7) 0.062(8) -0.002(7) 0.027(8) 0.023(7) C27 0.107(11) 0.085(11) 0.053(8) -0.009(8) -0.009(8) 0.015(9) C28 0.153(17) 0.155(18) 0.045(9) 0.005(10) 0.002(10) 0.096(15) C29 0.145(17) 0.131(16) 0.094(14) 0.060(13) 0.081(14) 0.060(14) C210 0.115(14) 0.093(12) 0.077(12) -0.004(10) 0.023(11) 0.010(10) C211 0.090(10) 0.084(11) 0.088(12) 0.000(9) 0.016(9) 0.009(8) C31 0.057(6) 0.050(7) 0.046(7) -0.009(6) 0.001(5) -0.002(5) C32 0.053(6) 0.079(9) 0.064(8) 0.001(7) 0.018(6) -0.009(6) C33 0.071(7) 0.087(10) 0.039(7) 0.007(6) 0.016(6) -0.004(7) C41 0.047(6) 0.059(8) 0.069(8) -0.009(6) 0.001(6) -0.003(5) C42 0.050(6) 0.078(9) 0.078(10) 0.003(8) 0.001(6) -0.013(6) C43 0.077(8) 0.070(9) 0.068(9) -0.015(7) -0.004(7) -0.024(7) O1 0.132(16) 0.155(19) 0.21(2) -0.020(17) 0.000 0.000 _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 Ag1 N32 2.081(10) 3 y Ag1 N32 2.081(10) . y Ag1 Ag2 2.8899(19) . y Ag2 N42 2.088(10) 3 y Ag2 N42 2.088(10) . y Ru1 N13 1.980(9) . y Ru1 N21 2.012(9) . y Ru1 N23 2.012(9) . y Ru1 N11 2.042(9) . y Ru1 N31 2.080(10) . y Ru1 N41 2.093(10) . y N11 C15 1.347(14) . ? N11 C11 1.353(13) . ? N12 N13 1.308(12) . ? N12 C15 1.414(15) . ? N13 C16 1.484(14) . ? N21 C25 1.344(14) . ? N21 C21 1.350(15) . ? N22 N23 1.302(12) . ? N22 C25 1.420(16) . ? N23 C26 1.419(15) . ? N31 C31 1.350(13) . ? N31 C32 1.365(13) . ? N32 C31 1.371(13) . ? N32 C33 1.417(15) . ? N41 C41 1.329(14) . ? N41 C42 1.369(14) . ? N42 C41 1.349(14) . ? N42 C43 1.395(15) . ? C11 C12 1.328(16) . ? C11 H11 0.9300 . ? C12 C13 1.393(18) . ? C12 H12 0.9300 . ? C13 C14 1.355(16) . ? C13 H13 0.9300 . ? C14 C15 1.362(16) . ? C14 H14 0.9300 . ? C16 C111 1.339(17) . ? C16 C17 1.405(17) . ? C17 C18 1.379(18) . ? C17 H17 0.9300 . ? C18 C19 1.42(2) . ? C18 H18 0.9300 . ? C19 C110 1.37(2) . ? C19 H19 0.9300 . ? C110 C111 1.367(17) . ? C110 H110 0.9300 . ? C111 H111 0.9300 . ? C21 C22 1.341(18) . ? C21 H21 0.9300 . ? C22 C23 1.37(2) . ? C22 H22 0.9300 . ? C23 C24 1.32(2) . ? C23 H23 0.9300 . ? C24 C25 1.405(17) . ? C24 H24 0.9300 . ? C26 C27 1.393(19) . ? C26 C211 1.421(19) . ? C27 C28 1.46(2) . ? C27 H27 0.9300 . ? C28 C29 1.35(3) . ? C28 H28 0.9300 . ? C29 C210 1.33(2) . ? C29 H29 0.9300 . ? C210 C211 1.38(2) . ? C210 H210 0.9300 . ? C211 H211 0.9300 . ? C31 C41 1.437(15) . ? C32 C33 1.355(17) . ? C32 H32 0.9300 . ? C33 H33 0.9300 . ? C42 C43 1.349(16) . ? C42 H42 0.9300 . ? C43 H43 0.9300 . ? Cl1 O11 1.39(3) . ? Cl1 O13 1.53(3) . ? Cl1 O12 1.57(3) . ? Cl1 O14 1.63(3) . ? 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 N32 Ag1 N32 179.3(5) 3 . y N42 Ag2 N42 179.3(5) 3 . y N13 Ru1 N21 100.7(4) . . y N13 Ru1 N23 104.1(4) . . y N21 Ru1 N23 76.5(4) . . y N13 Ru1 N11 77.0(4) . . y N21 Ru1 N11 177.2(4) . . y N23 Ru1 N11 102.4(4) . . y N13 Ru1 N31 89.4(4) . . y N21 Ru1 N31 93.3(4) . . y N23 Ru1 N31 164.3(4) . . y N11 Ru1 N31 88.3(4) . . y N13 Ru1 N41 164.5(4) . . y N21 Ru1 N41 89.0(4) . . y N23 Ru1 N41 89.9(4) . . y N11 Ru1 N41 93.6(4) . . y N31 Ru1 N41 77.8(4) . . y C15 N11 C11 115.5(10) . . ? C15 N11 Ru1 113.5(8) . . ? C11 N11 Ru1 130.9(8) . . ? N13 N12 C15 111.8(9) . . ? N12 N13 C16 110.5(9) . . ? N12 N13 Ru1 119.7(8) . . ? C16 N13 Ru1 127.9(8) . . ? C25 N21 C21 115.6(11) . . ? C25 N21 Ru1 114.6(8) . . ? C21 N21 Ru1 129.9(9) . . ? N23 N22 C25 110.1(10) . . ? N22 N23 C26 111.7(10) . . ? N22 N23 Ru1 120.3(8) . . ? C26 N23 Ru1 127.3(9) . . ? C31 N31 C32 106.9(10) . . ? C31 N31 Ru1 114.0(7) . . ? C32 N31 Ru1 139.0(9) . . ? C31 N32 C33 103.3(9) . . ? C31 N32 Ag1 128.7(8) . . ? C33 N32 Ag1 126.4(8) . . ? C41 N41 C42 104.4(10) . . ? C41 N41 Ru1 115.6(8) . . ? C42 N41 Ru1 139.9(9) . . ? C41 N42 C43 104.0(10) . . ? C41 N42 Ag2 125.7(8) . . ? C43 N42 Ag2 126.0(8) . . ? C12 C11 N11 124.7(13) . . ? C12 C11 H11 117.7 . . ? N11 C11 H11 117.7 . . ? C11 C12 C13 117.4(13) . . ? C11 C12 H12 121.3 . . ? C13 C12 H12 121.3 . . ? C14 C13 C12 120.6(13) . . ? C14 C13 H13 119.7 . . ? C12 C13 H13 119.7 . . ? C13 C14 C15 117.4(13) . . ? C13 C14 H14 121.3 . . ? C15 C14 H14 121.3 . . ? N11 C15 C14 124.0(12) . . ? N11 C15 N12 116.6(10) . . ? C14 C15 N12 119.3(11) . . ? C111 C16 C17 125.4(13) . . ? C111 C16 N13 120.4(12) . . ? C17 C16 N13 114.2(12) . . ? C18 C17 C16 115.9(14) . . ? C18 C17 H17 122.0 . . ? C16 C17 H17 122.0 . . ? C17 C18 C19 118.4(14) . . ? C17 C18 H18 120.8 . . ? C19 C18 H18 120.8 . . ? C110 C19 C18 122.7(15) . . ? C110 C19 H19 118.7 . . ? C18 C19 H19 118.7 . . ? C19 C110 C111 118.7(15) . . ? C19 C110 H110 120.7 . . ? C111 C110 H110 120.7 . . ? C16 C111 C110 118.8(14) . . ? C16 C111 H111 120.6 . . ? C110 C111 H111 120.6 . . ? C22 C21 N21 124.7(14) . . ? C22 C21 H21 117.6 . . ? N21 C21 H21 117.6 . . ? C21 C22 C23 117.1(16) . . ? C21 C22 H22 121.5 . . ? C23 C22 H22 121.5 . . ? C24 C23 C22 122.7(16) . . ? C24 C23 H23 118.7 . . ? C22 C23 H23 118.7 . . ? C23 C24 C25 116.6(15) . . ? C23 C24 H24 121.7 . . ? C25 C24 H24 121.7 . . ? N21 C25 C24 123.3(14) . . ? N21 C25 N22 117.6(11) . . ? C24 C25 N22 119.1(13) . . ? C27 C26 N23 118.0(13) . . ? C27 C26 C211 121.5(14) . . ? N23 C26 C211 120.1(15) . . ? C26 C27 C28 114.2(16) . . ? C26 C27 H27 122.9 . . ? C28 C27 H27 122.9 . . ? C29 C28 C27 121.9(17) . . ? C29 C28 H28 119.0 . . ? C27 C28 H28 119.0 . . ? C210 C29 C28 122.5(16) . . ? C210 C29 H29 118.8 . . ? C28 C29 H29 118.8 . . ? C29 C210 C211 119.5(18) . . ? C29 C210 H210 120.2 . . ? C211 C210 H210 120.2 . . ? C210 C211 C26 120.2(17) . . ? C210 C211 H211 119.9 . . ? C26 C211 H211 119.9 . . ? N31 C31 N32 112.0(10) . . ? N31 C31 C41 117.3(10) . . ? N32 C31 C41 130.7(11) . . ? C33 C32 N31 108.4(11) . . ? C33 C32 H32 125.8 . . ? N31 C32 H32 125.8 . . ? C32 C33 N32 109.3(10) . . ? C32 C33 H33 125.3 . . ? N32 C33 H33 125.3 . . ? N41 C41 N42 113.7(10) . . ? N41 C41 C31 115.0(11) . . ? N42 C41 C31 131.2(11) . . ? C43 C42 N41 110.1(12) . . ? C43 C42 H42 124.9 . . ? N41 C42 H42 124.9 . . ? C42 C43 N42 107.6(11) . . ? C42 C43 H43 126.2 . . ? N42 C43 H43 126.2 . . ? O11 Cl1 O13 114.7(16) . . ? O11 Cl1 O12 115.7(16) . . ? O13 Cl1 O12 106.8(15) . . ? O11 Cl1 O14 111.7(16) . . ? O13 Cl1 O14 106.1(14) . . ? O12 Cl1 O14 100.6(14) . . ? 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 N32 Ag1 Ag2 N42 -41.3(4) 3 . . 3 ? N32 Ag1 Ag2 N42 138.7(4) . . . 3 ? N32 Ag1 Ag2 N42 138.7(4) 3 . . . ? N32 Ag1 Ag2 N42 -41.3(4) . . . . ? N13 Ru1 N11 C15 -8.2(9) . . . . ? N21 Ru1 N11 C15 -44(8) . . . . ? N23 Ru1 N11 C15 -110.1(9) . . . . ? N31 Ru1 N11 C15 81.5(9) . . . . ? N41 Ru1 N11 C15 159.2(9) . . . . ? N13 Ru1 N11 C11 174.2(11) . . . . ? N21 Ru1 N11 C11 139(7) . . . . ? N23 Ru1 N11 C11 72.3(10) . . . . ? N31 Ru1 N11 C11 -96.1(10) . . . . ? N41 Ru1 N11 C11 -18.4(10) . . . . ? C15 N12 N13 C16 -176.4(11) . . . . ? C15 N12 N13 Ru1 -10.8(14) . . . . ? N21 Ru1 N13 N12 -170.8(9) . . . . ? N23 Ru1 N13 N12 110.6(9) . . . . ? N11 Ru1 N13 N12 10.8(9) . . . . ? N31 Ru1 N13 N12 -77.5(9) . . . . ? N41 Ru1 N13 N12 -43(2) . . . . ? N21 Ru1 N13 C16 -8.0(10) . . . . ? N23 Ru1 N13 C16 -86.6(10) . . . . ? N11 Ru1 N13 C16 173.6(10) . . . . ? N31 Ru1 N13 C16 85.3(10) . . . . ? N41 Ru1 N13 C16 119.5(16) . . . . ? N13 Ru1 N21 C25 -108.7(9) . . . . ? N23 Ru1 N21 C25 -6.5(9) . . . . ? N11 Ru1 N21 C25 -74(8) . . . . ? N31 Ru1 N21 C25 161.3(9) . . . . ? N41 Ru1 N21 C25 83.6(9) . . . . ? N13 Ru1 N21 C21 70.6(12) . . . . ? N23 Ru1 N21 C21 172.7(12) . . . . ? N11 Ru1 N21 C21 106(8) . . . . ? N31 Ru1 N21 C21 -19.4(12) . . . . ? N41 Ru1 N21 C21 -97.1(12) . . . . ? C25 N22 N23 C26 179.1(10) . . . . ? C25 N22 N23 Ru1 -9.9(13) . . . . ? N13 Ru1 N23 N22 107.3(9) . . . . ? N21 Ru1 N23 N22 9.5(9) . . . . ? N11 Ru1 N23 N22 -173.2(8) . . . . ? N31 Ru1 N23 N22 -41.2(19) . . . . ? N41 Ru1 N23 N22 -79.5(9) . . . . ? N13 Ru1 N23 C26 -83.2(11) . . . . ? N21 Ru1 N23 C26 179.0(11) . . . . ? N11 Ru1 N23 C26 -3.7(11) . . . . ? N31 Ru1 N23 C26 128.2(15) . . . . ? N41 Ru1 N23 C26 90.0(11) . . . . ? N13 Ru1 N31 C31 172.0(8) . . . . ? N21 Ru1 N31 C31 -87.3(8) . . . . ? N23 Ru1 N31 C31 -38.4(19) . . . . ? N11 Ru1 N31 C31 95.0(8) . . . . ? N41 Ru1 N31 C31 0.9(8) . . . . ? N13 Ru1 N31 C32 -5.9(13) . . . . ? N21 Ru1 N31 C32 94.8(13) . . . . ? N23 Ru1 N31 C32 143.7(15) . . . . ? N11 Ru1 N31 C32 -82.9(13) . . . . ? N41 Ru1 N31 C32 -177.0(14) . . . . ? N32 Ag1 N32 C31 37.8(9) 3 . . . ? Ag2 Ag1 N32 C31 37.8(10) . . . . ? N32 Ag1 N32 C33 -159.2(10) 3 . . . ? Ag2 Ag1 N32 C33 -159.2(10) . . . . ? N13 Ru1 N41 C41 -39(2) . . . . ? N21 Ru1 N41 C41 90.1(9) . . . . ? N23 Ru1 N41 C41 166.6(9) . . . . ? N11 Ru1 N41 C41 -91.0(9) . . . . ? N31 Ru1 N41 C41 -3.5(9) . . . . ? N13 Ru1 N41 C42 145.5(15) . . . . ? N21 Ru1 N41 C42 -85.7(14) . . . . ? N23 Ru1 N41 C42 -9.2(14) . . . . ? N11 Ru1 N41 C42 93.2(14) . . . . ? N31 Ru1 N41 C42 -179.3(14) . . . . ? N42 Ag2 N42 C41 47.0(9) 3 . . . ? Ag1 Ag2 N42 C41 47.0(10) . . . . ? N42 Ag2 N42 C43 -159.8(11) 3 . . . ? Ag1 Ag2 N42 C43 -159.8(10) . . . . ? C15 N11 C11 C12 -4.7(18) . . . . ? Ru1 N11 C11 C12 172.9(10) . . . . ? N11 C11 C12 C13 4(2) . . . . ? C11 C12 C13 C14 1(2) . . . . ? C12 C13 C14 C15 -5(2) . . . . ? C11 N11 C15 C14 0.1(19) . . . . ? Ru1 N11 C15 C14 -177.9(12) . . . . ? C11 N11 C15 N12 -176.6(11) . . . . ? Ru1 N11 C15 N12 5.5(15) . . . . ? C13 C14 C15 N11 5(2) . . . . ? C13 C14 C15 N12 -178.9(14) . . . . ? N13 N12 C15 N11 3.0(17) . . . . ? N13 N12 C15 C14 -173.8(12) . . . . ? N12 N13 C16 C111 32.6(18) . . . . ? Ru1 N13 C16 C111 -131.5(12) . . . . ? N12 N13 C16 C17 -146.6(12) . . . . ? Ru1 N13 C16 C17 49.2(16) . . . . ? C111 C16 C17 C18 4(2) . . . . ? N13 C16 C17 C18 -176.7(13) . . . . ? C16 C17 C18 C19 -2(2) . . . . ? C17 C18 C19 C110 0(3) . . . . ? C18 C19 C110 C111 2(3) . . . . ? C17 C16 C111 C110 -3(3) . . . . ? N13 C16 C111 C110 178.0(15) . . . . ? C19 C110 C111 C16 0(3) . . . . ? C25 N21 C21 C22 -1(2) . . . . ? Ru1 N21 C21 C22 179.3(12) . . . . ? N21 C21 C22 C23 0(3) . . . . ? C21 C22 C23 C24 0(3) . . . . ? C22 C23 C24 C25 0(3) . . . . ? C21 N21 C25 C24 2.2(19) . . . . ? Ru1 N21 C25 C24 -178.4(10) . . . . ? C21 N21 C25 N22 -175.7(11) . . . . ? Ru1 N21 C25 N22 3.7(14) . . . . ? C23 C24 C25 N21 -2(2) . . . . ? C23 C24 C25 N22 176.1(14) . . . . ? N23 N22 C25 N21 3.7(15) . . . . ? N23 N22 C25 C24 -174.3(11) . . . . ? N22 N23 C26 C27 -147.6(12) . . . . ? Ru1 N23 C26 C27 42.2(16) . . . . ? N22 N23 C26 C211 39.7(16) . . . . ? Ru1 N23 C26 C211 -130.6(11) . . . . ? N23 C26 C27 C28 -176.5(12) . . . . ? C211 C26 C27 C28 -4(2) . . . . ? C26 C27 C28 C29 0(2) . . . . ? C27 C28 C29 C210 3(3) . . . . ? C28 C29 C210 C211 -2(3) . . . . ? C29 C210 C211 C26 -3(3) . . . . ? C27 C26 C211 C210 6(2) . . . . ? N23 C26 C211 C210 178.0(13) . . . . ? C32 N31 C31 N32 1.1(13) . . . . ? Ru1 N31 C31 N32 -177.4(7) . . . . ? C32 N31 C31 C41 -179.8(11) . . . . ? Ru1 N31 C31 C41 1.6(13) . . . . ? C33 N32 C31 N31 -1.4(13) . . . . ? Ag1 N32 C31 N31 164.6(8) . . . . ? C33 N32 C31 C41 179.7(12) . . . . ? Ag1 N32 C31 C41 -14.3(18) . . . . ? C31 N31 C32 C33 -0.4(14) . . . . ? Ru1 N31 C32 C33 177.7(9) . . . . ? N31 C32 C33 N32 -0.5(15) . . . . ? C31 N32 C33 C32 1.1(14) . . . . ? Ag1 N32 C33 C32 -165.3(9) . . . . ? C42 N41 C41 N42 1.1(15) . . . . ? Ru1 N41 C41 N42 -176.1(8) . . . . ? C42 N41 C41 C31 -177.4(10) . . . . ? Ru1 N41 C41 C31 5.4(14) . . . . ? C43 N42 C41 N41 -2.8(15) . . . . ? Ag2 N42 C41 N41 155.1(9) . . . . ? C43 N42 C41 C31 175.4(13) . . . . ? Ag2 N42 C41 C31 -26.7(19) . . . . ? N31 C31 C41 N41 -4.7(16) . . . . ? N32 C31 C41 N41 174.2(12) . . . . ? N31 C31 C41 N42 177.1(12) . . . . ? N32 C31 C41 N42 -4(2) . . . . ? C41 N41 C42 C43 1.2(15) . . . . ? Ru1 N41 C42 C43 177.3(10) . . . . ? N41 C42 C43 N42 -2.9(16) . . . . ? C41 N42 C43 C42 3.4(14) . . . . ? Ag2 N42 C43 C42 -154.4(9) . . . . ? _diffrn_measured_fraction_theta_max 0.904 _diffrn_reflns_theta_full 75.89 _diffrn_measured_fraction_theta_full 0.904 _refine_diff_density_max 1.099 _refine_diff_density_min -1.007 _refine_diff_density_rms 0.183