# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2011 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Zhang, Jie-Peng' _publ_contact_author_address ; ; _publ_contact_author_email zhangjp7@mail.sysu.edu.cn loop_ _publ_author_name 'Jie-Peng Zhang' 'Xiao-Lin Qi' 'Chun-Ting He' 'Xiao-Ming Chen' data_1 _database_code_depnum_ccdc_archive 'CCDC 794204' #TrackingRef '- 1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C24 H36 Ag4 N8' _chemical_formula_weight 868.09 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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 12.2894(8) _cell_length_b 16.3750(10) _cell_length_c 15.2554(10) _cell_angle_alpha 90.00 _cell_angle_beta 99.6110(10) _cell_angle_gamma 90.00 _cell_volume 3026.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 123(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.17 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.905 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1696 _exptl_absorpt_coefficient_mu 2.576 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5652 _exptl_absorpt_correction_T_max 0.6685 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 123(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 _diffrn_measurement_method '/w scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 30803 _diffrn_reflns_av_R_equivalents 0.0202 _diffrn_reflns_av_sigmaI/netI 0.0146 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.84 _diffrn_reflns_theta_max 25.99 _reflns_number_total 5932 _reflns_number_gt 5391 _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 _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0301P)^2^+8.2799P] 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_number_reflns 5932 _refine_ls_number_parameters 325 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0338 _refine_ls_R_factor_gt 0.0304 _refine_ls_wR_factor_ref 0.0714 _refine_ls_wR_factor_gt 0.0691 _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.001 _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 Ag1 Ag 0.24116(2) 0.776163(19) 0.48917(2) 0.03841(9) Uani 1 1 d . . . Ag2 Ag 0.52812(2) 0.499437(18) 0.372002(19) 0.03522(8) Uani 1 1 d . . . Ag3 Ag 0.98520(2) 0.420096(17) 0.27471(2) 0.03353(8) Uani 1 1 d . . . Ag4 Ag 1.43295(2) 0.495323(16) 0.149684(18) 0.02990(8) Uani 1 1 d . . . N1 N 0.2986(3) 0.6646(2) 0.4533(2) 0.0353(7) Uani 1 1 d . . . N2 N 0.4016(2) 0.5636(2) 0.4153(2) 0.0338(7) Uani 1 1 d . . . N3 N 0.6573(2) 0.43884(19) 0.3288(2) 0.0301(6) Uani 1 1 d . . . N4 N 0.8246(2) 0.41323(18) 0.2987(2) 0.0303(6) Uani 1 1 d . . . N5 N 1.1449(2) 0.41566(19) 0.2486(2) 0.0346(7) Uani 1 1 d . . . N6 N 1.3029(2) 0.44502(19) 0.2026(2) 0.0305(6) Uani 1 1 d . . . N7 N 1.5677(2) 0.53713(18) 0.09679(19) 0.0283(6) Uani 1 1 d . . . N8 N 1.6757(3) 0.6173(2) 0.0309(2) 0.0340(7) Uani 1 1 d . . . C1 C 0.2345(3) 0.5949(2) 0.4408(3) 0.0367(9) Uani 1 1 d . . . H1A H 0.1591 0.5909 0.4472 0.044 Uiso 1 1 calc R . . C2 C 0.2976(3) 0.5332(3) 0.4178(3) 0.0356(8) Uani 1 1 d . . . H2A H 0.2742 0.4785 0.4055 0.043 Uiso 1 1 calc R . . C3 C 0.3980(3) 0.6429(2) 0.4373(2) 0.0338(8) Uani 1 1 d . . . C4 C 0.4945(4) 0.7003(3) 0.4458(3) 0.0522(12) Uani 1 1 d . . . H4A H 0.4556 0.7503 0.4621 0.063 Uiso 1 1 calc R . . C5 C 0.5717(6) 0.6925(4) 0.5278(4) 0.106(3) Uani 1 1 d . . . H5A H 0.6319 0.7319 0.5282 0.159 Uiso 1 1 calc R . . H5B H 0.6018 0.6370 0.5327 0.159 Uiso 1 1 calc R . . H5C H 0.5336 0.7035 0.5782 0.159 Uiso 1 1 calc R . . C6 C 0.5228(7) 0.7299(5) 0.3661(5) 0.133(4) Uani 1 1 d . . . H6A H 0.5865 0.7665 0.3796 0.199 Uiso 1 1 calc R . . H6B H 0.4601 0.7599 0.3329 0.199 Uiso 1 1 calc R . . H6C H 0.5416 0.6840 0.3302 0.199 Uiso 1 1 calc R . . C7 C 0.6584(3) 0.3603(2) 0.2979(2) 0.0305(8) Uani 1 1 d . . . H7A H 0.5980 0.3233 0.2906 0.037 Uiso 1 1 calc R . . C8 C 0.7610(3) 0.3444(2) 0.2795(2) 0.0312(8) Uani 1 1 d . . . H8A H 0.7846 0.2943 0.2572 0.037 Uiso 1 1 calc R . . C9 C 0.7592(3) 0.4687(2) 0.3282(2) 0.0288(7) Uani 1 1 d . . . C10 C 0.7925(3) 0.5538(2) 0.3585(3) 0.0402(9) Uani 1 1 d . . . H10A H 0.7357 0.5738 0.3933 0.048 Uiso 1 1 calc R . . C11 C 0.7919(9) 0.6124(3) 0.2821(4) 0.141(4) Uani 1 1 d . . . H11A H 0.7203 0.6097 0.2427 0.211 Uiso 1 1 calc R . . H11B H 0.8506 0.5976 0.2488 0.211 Uiso 1 1 calc R . . H11C H 0.8044 0.6681 0.3052 0.211 Uiso 1 1 calc R . . C12 C 0.9019(4) 0.5571(3) 0.4199(4) 0.0600(13) Uani 1 1 d . . . H12A H 0.9013 0.5188 0.4691 0.090 Uiso 1 1 calc R . . H12B H 0.9148 0.6126 0.4434 0.090 Uiso 1 1 calc R . . H12C H 0.9609 0.5420 0.3869 0.090 Uiso 1 1 calc R . . C13 C 1.2127(3) 0.3485(2) 0.2629(3) 0.0405(9) Uani 1 1 d . . . H13A H 1.1952 0.2982 0.2882 0.049 Uiso 1 1 calc R . . C14 C 1.3090(3) 0.3665(2) 0.2346(3) 0.0364(9) Uani 1 1 d . . . H14A H 1.3703 0.3308 0.2367 0.044 Uiso 1 1 calc R . . C15 C 1.2023(3) 0.4721(2) 0.2125(3) 0.0325(8) Uani 1 1 d . . . C16 C 1.1530(3) 0.5553(3) 0.1894(3) 0.0451(10) Uani 1 1 d . . . H16A H 1.1055 0.5667 0.2352 0.054 Uiso 1 1 calc R . . C17 C 1.0747(4) 0.5529(3) 0.1015(3) 0.0588(13) Uani 1 1 d . . . H17A H 1.0436 0.6074 0.0877 0.088 Uiso 1 1 calc R . . H17B H 1.0149 0.5142 0.1056 0.088 Uiso 1 1 calc R . . H17C H 1.1148 0.5355 0.0544 0.088 Uiso 1 1 calc R . . C18 C 1.2343(4) 0.6236(3) 0.1974(3) 0.0507(11) Uani 1 1 d . . . H18A H 1.2818 0.6211 0.2557 0.076 Uiso 1 1 calc R . . H18B H 1.1949 0.6758 0.1913 0.076 Uiso 1 1 calc R . . H18C H 1.2796 0.6187 0.1506 0.076 Uiso 1 1 calc R . . C19 C 1.6686(3) 0.4998(2) 0.1010(3) 0.0322(8) Uani 1 1 d . . . H19A H 1.6889 0.4484 0.1276 0.039 Uiso 1 1 calc R . . C20 C 1.7341(3) 0.5485(2) 0.0612(3) 0.0352(8) Uani 1 1 d . . . H20A H 1.8082 0.5371 0.0550 0.042 Uiso 1 1 calc R . . C21 C 1.5753(3) 0.6074(2) 0.0533(2) 0.0286(7) Uani 1 1 d . . . C22 C 1.4811(3) 0.6664(2) 0.0326(2) 0.0326(8) Uani 1 1 d . . . H22A H 1.4123 0.6358 0.0386 0.039 Uiso 1 1 calc R . . C23 C 1.4658(3) 0.6994(2) -0.0627(3) 0.0382(9) Uani 1 1 d . . . H23A H 1.4596 0.6537 -0.1047 0.057 Uiso 1 1 calc R . . H23B H 1.5296 0.7331 -0.0700 0.057 Uiso 1 1 calc R . . H23C H 1.3986 0.7326 -0.0743 0.057 Uiso 1 1 calc R . . C24 C 1.4910(4) 0.7367(3) 0.0990(3) 0.0509(11) Uani 1 1 d . . . H24A H 1.5008 0.7148 0.1596 0.076 Uiso 1 1 calc R . . H24B H 1.4239 0.7700 0.0878 0.076 Uiso 1 1 calc R . . H24C H 1.5549 0.7706 0.0922 0.076 Uiso 1 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 Ag1 0.03792(16) 0.03835(17) 0.04174(17) -0.00766(13) 0.01476(13) 0.00899(12) Ag2 0.02986(15) 0.04396(18) 0.03296(16) -0.00235(12) 0.00847(12) 0.01414(12) Ag3 0.02378(14) 0.02888(15) 0.04977(18) -0.00014(12) 0.01147(12) 0.00037(10) Ag4 0.02828(14) 0.03193(15) 0.03070(15) 0.00272(11) 0.00841(11) -0.00674(10) N1 0.0324(16) 0.0395(18) 0.0365(17) -0.0027(14) 0.0135(13) 0.0068(14) N2 0.0286(16) 0.0437(19) 0.0295(16) -0.0043(14) 0.0063(13) 0.0100(14) N3 0.0248(14) 0.0347(16) 0.0310(16) -0.0040(13) 0.0058(12) 0.0072(12) N4 0.0250(15) 0.0262(15) 0.0407(17) -0.0006(13) 0.0083(13) 0.0026(12) N5 0.0260(15) 0.0288(16) 0.051(2) 0.0024(14) 0.0119(14) 0.0001(12) N6 0.0265(15) 0.0315(16) 0.0339(16) 0.0023(13) 0.0063(12) -0.0040(12) N7 0.0301(15) 0.0297(16) 0.0257(15) 0.0023(12) 0.0063(12) -0.0054(12) N8 0.0310(16) 0.0356(17) 0.0381(17) 0.0042(14) 0.0135(13) -0.0047(13) C1 0.0284(18) 0.042(2) 0.042(2) -0.0039(17) 0.0124(16) 0.0027(16) C2 0.035(2) 0.039(2) 0.034(2) -0.0012(16) 0.0067(16) 0.0030(16) C3 0.0318(19) 0.042(2) 0.0287(18) -0.0030(16) 0.0071(15) 0.0051(16) C4 0.041(2) 0.074(3) 0.043(2) -0.013(2) 0.0129(19) -0.016(2) C5 0.112(5) 0.100(5) 0.085(4) 0.038(4) -0.047(4) -0.069(4) C6 0.122(6) 0.159(8) 0.097(5) 0.084(5) -0.041(5) -0.092(6) C7 0.0275(17) 0.0302(18) 0.0347(19) 0.0019(15) 0.0077(15) -0.0005(14) C8 0.0300(18) 0.0248(17) 0.040(2) -0.0026(15) 0.0077(15) 0.0029(14) C9 0.0287(18) 0.0279(18) 0.0298(18) -0.0012(14) 0.0047(14) 0.0065(14) C10 0.043(2) 0.030(2) 0.046(2) -0.0090(17) -0.0001(18) 0.0079(17) C11 0.287(12) 0.024(3) 0.075(4) 0.006(3) -0.073(6) -0.016(4) C12 0.052(3) 0.036(2) 0.086(4) -0.007(2) -0.006(3) -0.007(2) C13 0.032(2) 0.0282(19) 0.064(3) 0.0113(18) 0.0164(19) -0.0002(16) C14 0.0285(18) 0.0309(19) 0.052(2) 0.0048(17) 0.0139(17) 0.0044(15) C15 0.0284(18) 0.0280(18) 0.040(2) -0.0017(16) 0.0015(16) -0.0065(15) C16 0.037(2) 0.033(2) 0.062(3) 0.0067(19) 0.000(2) -0.0012(17) C17 0.060(3) 0.048(3) 0.060(3) 0.005(2) -0.016(2) 0.004(2) C18 0.058(3) 0.033(2) 0.058(3) 0.005(2) -0.001(2) -0.002(2) C19 0.0278(18) 0.0299(19) 0.038(2) 0.0010(15) 0.0030(15) 0.0004(14) C20 0.0285(18) 0.039(2) 0.039(2) 0.0014(17) 0.0109(16) 0.0003(16) C21 0.0304(18) 0.0289(18) 0.0279(17) -0.0009(14) 0.0092(14) -0.0051(14) C22 0.0344(19) 0.0292(19) 0.0363(19) 0.0017(15) 0.0114(16) -0.0010(15) C23 0.045(2) 0.0295(19) 0.040(2) 0.0030(16) 0.0056(17) -0.0010(17) C24 0.060(3) 0.052(3) 0.040(2) -0.010(2) 0.008(2) 0.014(2) _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 N1 2.065(3) . ? Ag1 N8 2.066(3) 4_476 ? Ag2 N3 2.071(3) . ? Ag2 N2 2.073(3) . ? Ag3 N5 2.068(3) . ? Ag3 N4 2.069(3) . ? Ag4 N7 2.075(3) . ? Ag4 N6 2.077(3) . ? N1 C3 1.334(5) . ? N1 C1 1.382(5) . ? N2 C3 1.344(5) . ? N2 C2 1.378(5) . ? N3 C9 1.345(5) . ? N3 C7 1.371(5) . ? N4 C9 1.340(4) . ? N4 C8 1.376(5) . ? N5 C15 1.336(5) . ? N5 C13 1.375(5) . ? N6 C15 1.346(5) . ? N6 C14 1.373(5) . ? N7 C21 1.340(4) . ? N7 C19 1.375(5) . ? N8 C21 1.343(4) . ? N8 C20 1.374(5) . ? N8 Ag1 2.066(3) 4_775 ? C1 C2 1.354(5) . ? C1 H1A 0.9500 . ? C2 H2A 0.9500 . ? C3 C4 1.503(6) . ? C4 C6 1.406(8) . ? C4 C5 1.443(7) . ? C4 H4A 1.0000 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 C8 1.362(5) . ? C7 H7A 0.9500 . ? C8 H8A 0.9500 . ? C9 C10 1.504(5) . ? C10 C12 1.506(6) . ? C10 C11 1.509(7) . ? C10 H10A 1.0000 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C14 1.357(5) . ? C13 H13A 0.9500 . ? C14 H14A 0.9500 . ? C15 C16 1.509(5) . ? C16 C18 1.490(6) . ? C16 C17 1.515(6) . ? C16 H16A 1.0000 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 C20 1.347(5) . ? C19 H19A 0.9500 . ? C20 H20A 0.9500 . ? C21 C22 1.500(5) . ? C22 C24 1.525(6) . ? C22 C23 1.533(5) . ? C22 H22A 1.0000 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? 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 N1 Ag1 N8 175.37(13) . 4_476 ? N3 Ag2 N2 178.15(13) . . ? N5 Ag3 N4 174.79(12) . . ? N7 Ag4 N6 175.84(12) . . ? C3 N1 C1 105.8(3) . . ? C3 N1 Ag1 130.4(3) . . ? C1 N1 Ag1 123.8(2) . . ? C3 N2 C2 105.8(3) . . ? C3 N2 Ag2 128.8(3) . . ? C2 N2 Ag2 125.1(3) . . ? C9 N3 C7 106.0(3) . . ? C9 N3 Ag2 126.3(2) . . ? C7 N3 Ag2 127.7(2) . . ? C9 N4 C8 106.0(3) . . ? C9 N4 Ag3 131.8(2) . . ? C8 N4 Ag3 122.1(2) . . ? C15 N5 C13 105.7(3) . . ? C15 N5 Ag3 129.7(3) . . ? C13 N5 Ag3 124.6(2) . . ? C15 N6 C14 105.3(3) . . ? C15 N6 Ag4 134.0(3) . . ? C14 N6 Ag4 120.7(2) . . ? C21 N7 C19 105.5(3) . . ? C21 N7 Ag4 127.1(2) . . ? C19 N7 Ag4 127.4(2) . . ? C21 N8 C20 105.4(3) . . ? C21 N8 Ag1 127.0(3) . 4_775 ? C20 N8 Ag1 126.0(2) . 4_775 ? C2 C1 N1 108.3(3) . . ? C2 C1 H1A 125.9 . . ? N1 C1 H1A 125.9 . . ? C1 C2 N2 108.2(4) . . ? C1 C2 H2A 125.9 . . ? N2 C2 H2A 125.9 . . ? N1 C3 N2 111.9(3) . . ? N1 C3 C4 123.5(4) . . ? N2 C3 C4 124.6(4) . . ? C6 C4 C5 124.0(5) . . ? C6 C4 C3 116.5(4) . . ? C5 C4 C3 114.5(4) . . ? C6 C4 H4A 97.5 . . ? C5 C4 H4A 97.5 . . ? C3 C4 H4A 97.5 . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C4 C6 H6A 109.5 . . ? C4 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C4 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C8 C7 N3 108.3(3) . . ? C8 C7 H7A 125.9 . . ? N3 C7 H7A 125.9 . . ? C7 C8 N4 108.2(3) . . ? C7 C8 H8A 125.9 . . ? N4 C8 H8A 125.9 . . ? N4 C9 N3 111.6(3) . . ? N4 C9 C10 125.7(3) . . ? N3 C9 C10 122.7(3) . . ? C9 C10 C12 113.1(3) . . ? C9 C10 C11 112.7(4) . . ? C12 C10 C11 110.2(5) . . ? C9 C10 H10A 106.8 . . ? C12 C10 H10A 106.8 . . ? C11 C10 H10A 106.8 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 N5 108.3(3) . . ? C14 C13 H13A 125.9 . . ? N5 C13 H13A 125.9 . . ? C13 C14 N6 108.5(3) . . ? C13 C14 H14A 125.7 . . ? N6 C14 H14A 125.7 . . ? N5 C15 N6 112.1(3) . . ? N5 C15 C16 120.2(3) . . ? N6 C15 C16 127.7(3) . . ? C18 C16 C15 114.9(3) . . ? C18 C16 C17 114.2(4) . . ? C15 C16 C17 110.8(4) . . ? C18 C16 H16A 105.3 . . ? C15 C16 H16A 105.3 . . ? C17 C16 H16A 105.3 . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C20 C19 N7 108.6(3) . . ? C20 C19 H19A 125.7 . . ? N7 C19 H19A 125.7 . . ? C19 C20 N8 108.6(3) . . ? C19 C20 H20A 125.7 . . ? N8 C20 H20A 125.7 . . ? N7 C21 N8 111.9(3) . . ? N7 C21 C22 122.8(3) . . ? N8 C21 C22 125.3(3) . . ? C21 C22 C24 111.9(3) . . ? C21 C22 C23 113.3(3) . . ? C24 C22 C23 110.3(3) . . ? C21 C22 H22A 107.0 . . ? C24 C22 H22A 107.0 . . ? C23 C22 H22A 107.0 . . ? C22 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C22 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C22 C24 H24A 109.5 . . ? C22 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C22 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.99 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.150 _refine_diff_density_min -0.903 _refine_diff_density_rms 0.103 # Attachment '- 2.cif' data_2 _database_code_depnum_ccdc_archive 'CCDC 794205' #TrackingRef '- 2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C72 H108 Ag12 N24' _chemical_formula_weight 2604.26 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' Ag Ag -0.8971 1.1015 '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 12.1005(8) _cell_length_b 18.0915(12) _cell_length_c 24.1686(16) _cell_angle_alpha 108.5320(10) _cell_angle_beta 96.5300(10) _cell_angle_gamma 104.6880(10) _cell_volume 4742.4(5) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description needle _exptl_crystal_colour colorless _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 1.824 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2544 _exptl_absorpt_coefficient_mu 2.466 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.5776 _exptl_absorpt_correction_T_max 0.7086 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 _diffrn_measurement_method '/w scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 37044 _diffrn_reflns_av_R_equivalents 0.0306 _diffrn_reflns_av_sigmaI/netI 0.0544 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.79 _diffrn_reflns_theta_max 26.00 _reflns_number_total 18409 _reflns_number_gt 12430 _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 _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0444P)^2^+5.4060P] 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_number_reflns 18409 _refine_ls_number_parameters 973 _refine_ls_number_restraints 114 _refine_ls_R_factor_all 0.0884 _refine_ls_R_factor_gt 0.0547 _refine_ls_wR_factor_ref 0.1228 _refine_ls_wR_factor_gt 0.1067 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.067 _refine_ls_shift/su_max 0.002 _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 Ag1 Ag -1.86952(7) -0.00323(4) 0.09038(4) 0.0896(3) Uani 1 1 d . . . Ag2 Ag -1.59576(5) -0.24069(4) 0.11974(3) 0.06041(17) Uani 1 1 d . . . Ag3 Ag -1.14538(5) -0.34307(4) 0.15346(3) 0.05970(17) Uani 1 1 d . . . Ag4 Ag -0.61796(5) -0.29331(4) 0.23229(3) 0.06174(17) Uani 1 1 d . . . Ag5 Ag -0.15010(6) -0.05869(4) 0.40031(3) 0.0749(2) Uani 1 1 d . . . Ag6 Ag 0.32710(5) 0.20883(4) 0.52964(3) 0.0703(2) Uani 1 1 d . . . Ag7 Ag 0.86864(5) 0.33510(4) 0.56857(3) 0.06945(19) Uani 1 1 d . . . Ag8 Ag 1.35347(6) 0.37309(4) 0.49687(3) 0.0737(2) Uani 1 1 d . . . Ag9 Ag 1.69563(6) 0.42903(4) 0.33107(3) 0.0700(2) Uani 1 1 d . . . Ag10 Ag 2.00186(5) 0.41762(4) 0.14111(3) 0.05623(16) Uani 1 1 d . . . Ag11 Ag 2.44967(5) 0.37018(4) 0.04974(3) 0.06028(17) Uani 1 1 d . . . Ag12 Ag 2.87787(5) 0.24004(4) 0.04453(3) 0.06358(18) Uani 1 1 d . . . N1 N -1.8202(6) -0.0966(4) 0.1083(3) 0.074(2) Uani 1 1 d . . . N2 N -1.7202(6) -0.1798(4) 0.1177(3) 0.0577(17) Uani 1 1 d . . . N3 N -1.4774(5) -0.3075(4) 0.1203(3) 0.0529(15) Uani 1 1 d . . . N4 N -1.3152(5) -0.3408(4) 0.1339(3) 0.0504(15) Uani 1 1 d . . . N5 N -0.9807(5) -0.3581(4) 0.1620(3) 0.0499(15) Uani 1 1 d . . . N6 N -0.7926(5) -0.3416(4) 0.1880(3) 0.0537(16) Uani 1 1 d . . . N7 N -0.4452(5) -0.2459(4) 0.2795(3) 0.0593(17) Uani 1 1 d . . . N8 N -0.2811(5) -0.1638(4) 0.3431(3) 0.0654(18) Uani 1 1 d . . . N9 N -0.0233(6) 0.0509(4) 0.4538(3) 0.0694(19) Uani 1 1 d . . . N10 N 0.1504(5) 0.1422(4) 0.4995(3) 0.0629(17) Uani 1 1 d . . . N11 N 0.5035(5) 0.2717(4) 0.5643(3) 0.0637(18) Uani 1 1 d . . . N12 N 0.6969(5) 0.3139(4) 0.5794(3) 0.0673(19) Uani 1 1 d . . . N13 N 1.0459(5) 0.3607(4) 0.5676(3) 0.0595(17) Uani 1 1 d . . . N14 N 1.2152(6) 0.3629(4) 0.5410(3) 0.0615(17) Uani 1 1 d . . . N15 N 1.5002(6) 0.3908(4) 0.4594(3) 0.0658(19) Uani 1 1 d . . . N16 N 1.6243(6) 0.4122(4) 0.4019(3) 0.0646(18) Uani 1 1 d . . . N17 N 1.7638(5) 0.4418(4) 0.2589(3) 0.0570(16) Uani 1 1 d . . . N18 N 1.8786(5) 0.4403(4) 0.1927(3) 0.0513(15) Uani 1 1 d . . . N19 N 2.1241(5) 0.3960(3) 0.0878(3) 0.0471(14) Uani 1 1 d . . . N20 N 2.2895(5) 0.3888(3) 0.0585(3) 0.0495(15) Uani 1 1 d . . . N21 N 2.6095(5) 0.3529(4) 0.0384(3) 0.0532(15) Uani 1 1 d . . . N22 N 2.7632(5) 0.3074(4) 0.0363(3) 0.0520(15) Uani 1 1 d . . . N23 N 2.9958(5) 0.1754(4) 0.0545(3) 0.0642(18) Uani 1 1 d . . . N24 N 3.0875(6) 0.0899(4) 0.0695(4) 0.076(2) Uani 1 1 d . . . C1 C -1.8963(7) -0.1713(5) 0.0953(4) 0.064(2) Uani 1 1 d . . . H1A H -1.9772 -0.1852 0.0848 0.077 Uiso 1 1 calc R . . C2 C -1.8359(7) -0.2220(5) 0.1001(4) 0.058(2) Uani 1 1 d . . . H2A H -1.8680 -0.2776 0.0925 0.070 Uiso 1 1 calc R . . C3 C -1.7147(8) -0.1041(5) 0.1219(4) 0.072(2) Uani 1 1 d . . . C4 C -1.5991(12) -0.0343(8) 0.1451(7) 0.127(5) Uani 1 1 d . . . H4A H -1.5362 -0.0575 0.1520 0.152 Uiso 1 1 calc R . . C5 C -1.5766(15) 0.0026(11) 0.1004(8) 0.207(7) Uani 1 1 d U . . H5A H -1.5734 -0.0383 0.0643 0.269 Uiso 1 1 calc R . . H5B H -1.5034 0.0457 0.1151 0.269 Uiso 1 1 calc R . . H5C H -1.6383 0.0247 0.0924 0.269 Uiso 1 1 calc R . . C6 C -1.6015(15) 0.0276(11) 0.2043(8) 0.200(7) Uani 1 1 d U . . H6A H -1.5289 0.0713 0.2186 0.260 Uiso 1 1 calc R . . H6B H -1.6125 0.0012 0.2329 0.260 Uiso 1 1 calc R . . H6C H -1.6647 0.0494 0.1988 0.260 Uiso 1 1 calc R . . C7 C -1.5082(6) -0.3879(5) 0.1108(3) 0.0533(19) Uani 1 1 d . . . H7A H -1.5843 -0.4231 0.1003 0.064 Uiso 1 1 calc R . . C8 C -1.4091(6) -0.4090(5) 0.1190(3) 0.0542(19) Uani 1 1 d . . . H8A H -1.4059 -0.4612 0.1151 0.065 Uiso 1 1 calc R . . C9 C -1.3602(7) -0.2805(5) 0.1349(3) 0.0504(18) Uani 1 1 d . . . C10 C -1.2914(8) -0.1945(6) 0.1459(5) 0.082(3) Uani 1 1 d . . . H10A H -1.3522 -0.1676 0.1514 0.098 Uiso 1 1 calc R . . C11 C -1.2601(13) -0.1815(7) 0.0935(5) 0.151(6) Uani 1 1 d . . . H11A H -1.2161 -0.1251 0.1037 0.196 Uiso 1 1 calc R . . H11B H -1.3297 -0.1951 0.0641 0.196 Uiso 1 1 calc R . . H11C H -1.2135 -0.2156 0.0776 0.196 Uiso 1 1 calc R . . C12 C -1.2125(13) -0.1505(8) 0.1997(6) 0.167(6) Uani 1 1 d U . . H12A H -1.1743 -0.0965 0.2008 0.217 Uiso 1 1 calc R . . H12B H -1.1552 -0.1778 0.2037 0.217 Uiso 1 1 calc R . . H12C H -1.2530 -0.1468 0.2319 0.217 Uiso 1 1 calc R . . C13 C -0.9513(6) -0.4140(4) 0.1176(3) 0.0511(18) Uani 1 1 d . . . H13A H -1.0020 -0.4519 0.0824 0.061 Uiso 1 1 calc R . . C14 C -0.8364(6) -0.4047(4) 0.1333(4) 0.0520(19) Uani 1 1 d . . . H14A H -0.7944 -0.4353 0.1113 0.062 Uiso 1 1 calc R . . C15 C -0.8828(6) -0.3162(5) 0.2033(3) 0.0528(19) Uani 1 1 d . . . C16 C -0.8724(9) -0.2490(7) 0.2606(4) 0.092(3) Uani 1 1 d . . . H16A H -0.7911 -0.2383 0.2797 0.111 Uiso 1 1 calc R . . C17 C -0.9309(14) -0.2757(10) 0.3008(6) 0.182(6) Uani 1 1 d U . . H17A H -0.9201 -0.2298 0.3367 0.237 Uiso 1 1 calc R . . H17B H -0.8999 -0.3152 0.3101 0.237 Uiso 1 1 calc R . . H17C H -1.0127 -0.3004 0.2831 0.237 Uiso 1 1 calc R . . C18 C -0.8664(14) -0.1728(9) 0.2557(6) 0.162(6) Uani 1 1 d U . . H18A H -0.8585 -0.1331 0.2945 0.211 Uiso 1 1 calc R . . H18B H -0.9365 -0.1778 0.2299 0.211 Uiso 1 1 calc R . . H18C H -0.8001 -0.1556 0.2393 0.211 Uiso 1 1 calc R . . C19 C -0.3680(7) -0.2884(5) 0.2791(3) 0.058(2) Uani 1 1 d . . . H19A H -0.3824 -0.3433 0.2563 0.070 Uiso 1 1 calc R . . C20 C -0.2682(7) -0.2391(5) 0.3167(3) 0.060(2) Uani 1 1 d . . . H20A H -0.2009 -0.2535 0.3239 0.072 Uiso 1 1 calc R . . C21 C -0.3889(7) -0.1712(5) 0.3186(4) 0.065(2) Uani 1 1 d . . . C22 C -0.4425(10) -0.1024(7) 0.3347(6) 0.109(4) Uani 1 1 d . . . H22A H -0.5135 -0.1316 0.3033 0.130 Uiso 1 1 calc R . . C23 C -0.4987(15) -0.0998(10) 0.3810(8) 0.181(6) Uani 1 1 d U . . H23A H -0.5311 -0.0552 0.3890 0.236 Uiso 1 1 calc R . . H23B H -0.4441 -0.0921 0.4159 0.236 Uiso 1 1 calc R . . H23C H -0.5604 -0.1504 0.3705 0.236 Uiso 1 1 calc R . . C24 C -0.4034(16) -0.0399(10) 0.3132(8) 0.198(7) Uani 1 1 d U . . H24A H -0.4433 0.0001 0.3259 0.257 Uiso 1 1 calc R . . H24B H -0.4191 -0.0623 0.2703 0.257 Uiso 1 1 calc R . . H24C H -0.3208 -0.0145 0.3284 0.257 Uiso 1 1 calc R . . C25 C -0.0347(7) 0.1083(5) 0.5033(4) 0.066(2) Uani 1 1 d . . . H25A H -0.1045 0.1093 0.5157 0.080 Uiso 1 1 calc R . . C26 C 0.0693(7) 0.1625(5) 0.5312(4) 0.065(2) Uani 1 1 d . . . H26A H 0.0845 0.2071 0.5665 0.078 Uiso 1 1 calc R . . C27 C 0.0890(7) 0.0739(5) 0.4529(4) 0.068(2) Uani 1 1 d . . . C28 C 0.1400(10) 0.0282(7) 0.4034(5) 0.102(3) Uani 1 1 d . . . H28A H 0.0834 -0.0268 0.3854 0.122 Uiso 1 1 calc R . . C29 C 0.2507(10) 0.0151(8) 0.4232(7) 0.163(6) Uani 1 1 d . . . H29A H 0.2760 -0.0145 0.3890 0.212 Uiso 1 1 calc R . . H29B H 0.2393 -0.0160 0.4488 0.212 Uiso 1 1 calc R . . H29C H 0.3091 0.0670 0.4445 0.212 Uiso 1 1 calc R . . C30 C 0.1416(15) 0.0616(10) 0.3548(7) 0.186(7) Uani 1 1 d U . . H30A H 0.0665 0.0675 0.3436 0.241 Uiso 1 1 calc R . . H30B H 0.1591 0.0249 0.3209 0.241 Uiso 1 1 calc R . . H30C H 0.2002 0.1142 0.3684 0.241 Uiso 1 1 calc R . . C31 C 0.5462(7) 0.3357(6) 0.6164(4) 0.071(2) Uani 1 1 d . . . H31A H 0.5011 0.3578 0.6417 0.085 Uiso 1 1 calc R . . C32 C 0.6628(7) 0.3627(6) 0.6264(4) 0.077(3) Uani 1 1 d . . . H32A H 0.7120 0.4065 0.6593 0.092 Uiso 1 1 calc R . . C33 C 0.5985(7) 0.2617(5) 0.5435(4) 0.064(2) Uani 1 1 d . . . C34 C 0.5892(9) 0.1910(7) 0.4872(5) 0.098(3) Uani 1 1 d . . . H34A H 0.5075 0.1569 0.4780 0.118 Uiso 1 1 calc R . . C35 C 0.6546(14) 0.1366(8) 0.4936(6) 0.175(7) Uani 1 1 d . . . H35A H 0.6429 0.0938 0.4557 0.227 Uiso 1 1 calc R . . H35B H 0.6283 0.1129 0.5220 0.227 Uiso 1 1 calc R . . H35C H 0.7363 0.1668 0.5075 0.227 Uiso 1 1 calc R . . C36 C 0.5996(14) 0.2132(9) 0.4370(6) 0.163(6) Uani 1 1 d U . . H36A H 0.5919 0.1654 0.4029 0.212 Uiso 1 1 calc R . . H36B H 0.6748 0.2526 0.4442 0.212 Uiso 1 1 calc R . . H36C H 0.5394 0.2366 0.4294 0.212 Uiso 1 1 calc R . . C37 C 1.1276(7) 0.3786(5) 0.6168(4) 0.058(2) Uani 1 1 d . . . H37A H 1.1148 0.3882 0.6554 0.070 Uiso 1 1 calc R . . C38 C 1.2316(7) 0.3804(5) 0.6005(4) 0.062(2) Uani 1 1 d . . . H38A H 1.3023 0.3916 0.6260 0.074 Uiso 1 1 calc R . . C39 C 1.1019(7) 0.3514(5) 0.5226(4) 0.061(2) Uani 1 1 d . . . C40 C 1.0434(12) 0.3315(8) 0.4587(5) 0.114(4) Uani 1 1 d . . . H40A H 1.1154 0.3545 0.4469 0.137 Uiso 1 1 calc R . . C41 C 0.9880(13) 0.3849(9) 0.4474(7) 0.174(6) Uani 1 1 d U . . H41A H 0.9545 0.3657 0.4055 0.226 Uiso 1 1 calc R . . H41B H 1.0437 0.4384 0.4592 0.226 Uiso 1 1 calc R . . H41C H 0.9273 0.3879 0.4696 0.226 Uiso 1 1 calc R . . C42 C 1.0241(14) 0.2556(10) 0.4213(7) 0.176(6) Uani 1 1 d U . . H42A H 0.9868 0.2499 0.3823 0.228 Uiso 1 1 calc R . . H42B H 0.9744 0.2179 0.4351 0.228 Uiso 1 1 calc R . . H42C H 1.0971 0.2442 0.4195 0.228 Uiso 1 1 calc R . . C43 C 1.6086(8) 0.4244(5) 0.4935(4) 0.069(2) Uani 1 1 d . . . H43A H 1.6275 0.4362 0.5344 0.083 Uiso 1 1 calc R . . C44 C 1.6859(8) 0.4384(5) 0.4589(4) 0.071(2) Uani 1 1 d . . . H44A H 1.7665 0.4617 0.4718 0.085 Uiso 1 1 calc R . . C45 C 1.5135(7) 0.3849(5) 0.4051(4) 0.067(2) Uani 1 1 d . . . C46 C 1.4159(9) 0.3510(8) 0.3510(5) 0.100(3) Uani 1 1 d U . . H46A H 1.4580 0.3588 0.3200 0.120 Uiso 1 1 calc R . . C47 C 1.3643(14) 0.2654(10) 0.3290(7) 0.185(6) Uani 1 1 d U . . H47A H 1.3034 0.2496 0.2945 0.240 Uiso 1 1 calc R . . H47B H 1.3316 0.2492 0.3593 0.240 Uiso 1 1 calc R . . H47C H 1.4225 0.2392 0.3183 0.240 Uiso 1 1 calc R . . C48 C 1.3387(14) 0.4003(11) 0.3507(6) 0.197(8) Uani 1 1 d . . . H48A H 1.2790 0.3741 0.3148 0.256 Uiso 1 1 calc R . . H48B H 1.3827 0.4534 0.3523 0.256 Uiso 1 1 calc R . . H48C H 1.3031 0.4059 0.3847 0.256 Uiso 1 1 calc R . . C49 C 1.7217(6) 0.4714(5) 0.2186(4) 0.060(2) Uani 1 1 d . . . H49A H 1.6560 0.4892 0.2187 0.073 Uiso 1 1 calc R . . C50 C 1.7918(6) 0.4708(5) 0.1783(3) 0.0543(19) Uani 1 1 d . . . H50A H 1.7820 0.4883 0.1463 0.065 Uiso 1 1 calc R . . C51 C 1.8588(6) 0.4245(5) 0.2419(3) 0.0548(19) Uani 1 1 d . . . C52 C 1.9387(9) 0.3978(7) 0.2772(5) 0.093(3) Uani 1 1 d . . . H52A H 1.9004 0.3996 0.3110 0.112 Uiso 1 1 calc R . . C53 C 1.9251(15) 0.3170(11) 0.2546(8) 0.203(8) Uani 1 1 d U . . H53A H 1.9787 0.3039 0.2796 0.264 Uiso 1 1 calc R . . H53B H 1.9403 0.3027 0.2150 0.264 Uiso 1 1 calc R . . H53C H 1.8464 0.2867 0.2530 0.264 Uiso 1 1 calc R . . C54 C 2.0520(12) 0.4594(9) 0.3089(6) 0.155(6) Uani 1 1 d . . . H54A H 2.0976 0.4368 0.3302 0.201 Uiso 1 1 calc R . . H54B H 2.0397 0.5065 0.3367 0.201 Uiso 1 1 calc R . . H54C H 2.0928 0.4753 0.2807 0.201 Uiso 1 1 calc R . . C55 C 2.1118(6) 0.3919(4) 0.0299(3) 0.0484(18) Uani 1 1 d . . . H55A H 2.0451 0.3917 0.0065 0.058 Uiso 1 1 calc R . . C56 C 2.2126(6) 0.3882(4) 0.0126(3) 0.0488(18) Uani 1 1 d . . . H56A H 2.2274 0.3856 -0.0247 0.059 Uiso 1 1 calc R . . C57 C 2.2338(6) 0.3940(4) 0.1034(3) 0.0456(17) Uani 1 1 d . . . C58 C 2.2852(9) 0.3985(6) 0.1639(4) 0.085(3) Uani 1 1 d U . . H58A H 2.2126 0.3992 0.1781 0.102 Uiso 1 1 calc R . . C59 C 2.3483(12) 0.4804(7) 0.2055(5) 0.144(6) Uani 1 1 d . . . H59A H 2.3775 0.4780 0.2433 0.188 Uiso 1 1 calc R . . H59B H 2.2968 0.5135 0.2106 0.188 Uiso 1 1 calc R . . H59C H 2.4126 0.5041 0.1903 0.188 Uiso 1 1 calc R . . C60 C 2.2860(14) 0.3297(9) 0.1732(7) 0.187(6) Uani 1 1 d U . . H60A H 2.3199 0.3427 0.2143 0.243 Uiso 1 1 calc R . . H60B H 2.3313 0.3030 0.1482 0.243 Uiso 1 1 calc R . . H60C H 2.2073 0.2939 0.1637 0.243 Uiso 1 1 calc R . . C61 C 2.6924(6) 0.4016(5) 0.0196(3) 0.0509(18) Uani 1 1 d . . . H61A H 2.6856 0.4459 0.0094 0.061 Uiso 1 1 calc R . . C62 C 2.7844(6) 0.3735(4) 0.0188(3) 0.0505(18) Uani 1 1 d . . . H62A H 2.8529 0.3957 0.0079 0.061 Uiso 1 1 calc R . . C63 C 2.6566(6) 0.2975(4) 0.0478(3) 0.0516(18) Uani 1 1 d . . . C64 C 2.5973(8) 0.2313(6) 0.0687(5) 0.085(3) Uani 1 1 d . . . H64A H 2.6520 0.1994 0.0612 0.102 Uiso 1 1 calc R . . C65 C 2.6135(12) 0.2501(8) 0.1304(6) 0.151(5) Uani 1 1 d U . . H65A H 2.5714 0.2032 0.1383 0.196 Uiso 1 1 calc R . . H65B H 2.5849 0.2952 0.1479 0.196 Uiso 1 1 calc R . . H65C H 2.6952 0.2647 0.1473 0.196 Uiso 1 1 calc R . . C66 C 2.4985(15) 0.1716(10) 0.0294(7) 0.189(7) Uani 1 1 d U . . H66A H 2.4674 0.1322 0.0469 0.246 Uiso 1 1 calc R . . H66B H 2.5191 0.1447 -0.0073 0.246 Uiso 1 1 calc R . . H66C H 2.4406 0.1968 0.0213 0.246 Uiso 1 1 calc R . . C67 C 3.0937(6) 0.1846(5) 0.0312(4) 0.061(2) Uani 1 1 d . . . H67A H 3.1181 0.2209 0.0119 0.073 Uiso 1 1 calc R . . C68 C 3.1489(7) 0.1332(5) 0.0407(4) 0.073(3) Uani 1 1 d . . . H68A H 3.2183 0.1281 0.0293 0.088 Uiso 1 1 calc R . . C69 C 2.9941(8) 0.1174(6) 0.0769(5) 0.085(3) Uani 1 1 d . . . C70 C 2.8960(13) 0.0850(10) 0.1072(7) 0.144(5) Uani 1 1 d U . . H70A H 2.8803 0.1378 0.1187 0.172 Uiso 1 1 calc R . . C71 C 2.7801(13) 0.0447(8) 0.0675(8) 0.173(7) Uani 1 1 d . . . H71A H 2.7245 0.0263 0.0893 0.225 Uiso 1 1 calc R . . H71B H 2.7829 -0.0014 0.0348 0.225 Uiso 1 1 calc R . . H71C H 2.7571 0.0828 0.0523 0.225 Uiso 1 1 calc R . . C72 C 2.9451(16) 0.1014(10) 0.1701(7) 0.180(7) Uani 1 1 d . . . H72A H 2.8839 0.0814 0.1886 0.234 Uiso 1 1 calc R . . H72B H 2.9804 0.1593 0.1908 0.234 Uiso 1 1 calc R . . H72C H 3.0032 0.0741 0.1720 0.234 Uiso 1 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 Ag1 0.0889(5) 0.0743(5) 0.1390(7) 0.0630(5) 0.0232(5) 0.0504(4) Ag2 0.0562(4) 0.0657(4) 0.0797(4) 0.0381(4) 0.0183(3) 0.0361(3) Ag3 0.0364(3) 0.0775(4) 0.0741(4) 0.0330(4) 0.0144(3) 0.0242(3) Ag4 0.0365(3) 0.0705(4) 0.0713(4) 0.0290(3) -0.0034(3) 0.0068(3) Ag5 0.0528(4) 0.0656(4) 0.0776(5) 0.0080(4) -0.0107(3) 0.0032(3) Ag6 0.0379(3) 0.0654(4) 0.0986(5) 0.0259(4) 0.0048(3) 0.0096(3) Ag7 0.0389(3) 0.0867(5) 0.0810(5) 0.0252(4) 0.0213(3) 0.0190(3) Ag8 0.0678(4) 0.0885(5) 0.0931(5) 0.0474(4) 0.0542(4) 0.0364(4) Ag9 0.0700(4) 0.0874(5) 0.0687(4) 0.0358(4) 0.0440(4) 0.0288(4) Ag10 0.0525(3) 0.0684(4) 0.0650(4) 0.0312(3) 0.0343(3) 0.0288(3) Ag11 0.0328(3) 0.0670(4) 0.0838(4) 0.0220(3) 0.0170(3) 0.0246(3) Ag12 0.0505(4) 0.0658(4) 0.0934(5) 0.0379(4) 0.0197(3) 0.0362(3) N1 0.070(5) 0.055(4) 0.119(6) 0.051(4) 0.017(4) 0.035(4) N2 0.059(4) 0.052(4) 0.082(5) 0.038(4) 0.019(4) 0.032(3) N3 0.047(4) 0.059(4) 0.060(4) 0.022(3) 0.012(3) 0.029(3) N4 0.032(3) 0.060(4) 0.064(4) 0.024(3) 0.010(3) 0.020(3) N5 0.029(3) 0.053(4) 0.071(4) 0.028(3) 0.012(3) 0.012(3) N6 0.031(3) 0.059(4) 0.070(4) 0.030(4) 0.005(3) 0.009(3) N7 0.042(4) 0.061(4) 0.061(4) 0.017(4) -0.003(3) 0.006(3) N8 0.045(4) 0.065(5) 0.067(4) 0.010(4) -0.012(3) 0.012(3) N9 0.047(4) 0.056(4) 0.088(5) 0.009(4) 0.002(4) 0.015(3) N10 0.043(4) 0.051(4) 0.078(5) 0.010(4) 0.004(4) 0.008(3) N11 0.034(4) 0.069(5) 0.077(5) 0.020(4) 0.008(3) 0.007(3) N12 0.036(4) 0.082(5) 0.076(5) 0.022(4) 0.016(4) 0.013(4) N13 0.040(4) 0.074(5) 0.064(4) 0.020(4) 0.022(3) 0.019(3) N14 0.053(4) 0.076(5) 0.068(5) 0.033(4) 0.031(4) 0.024(4) N15 0.060(4) 0.085(5) 0.072(5) 0.039(4) 0.041(4) 0.028(4) N16 0.060(4) 0.082(5) 0.065(5) 0.035(4) 0.035(4) 0.023(4) N17 0.052(4) 0.078(5) 0.047(4) 0.023(3) 0.026(3) 0.023(3) N18 0.047(4) 0.066(4) 0.050(4) 0.025(3) 0.024(3) 0.023(3) N19 0.045(3) 0.051(4) 0.058(4) 0.025(3) 0.024(3) 0.023(3) N20 0.030(3) 0.056(4) 0.066(4) 0.020(3) 0.014(3) 0.020(3) N21 0.032(3) 0.062(4) 0.071(4) 0.022(3) 0.013(3) 0.024(3) N22 0.039(3) 0.059(4) 0.069(4) 0.026(3) 0.013(3) 0.028(3) N23 0.057(4) 0.072(5) 0.095(5) 0.051(4) 0.026(4) 0.040(4) N24 0.061(4) 0.068(5) 0.128(6) 0.060(5) 0.019(4) 0.037(4) C1 0.050(5) 0.063(6) 0.092(6) 0.033(5) 0.021(4) 0.029(4) C2 0.057(5) 0.043(5) 0.086(6) 0.030(4) 0.025(4) 0.021(4) C3 0.058(5) 0.055(5) 0.112(7) 0.045(5) 0.012(5) 0.018(5) C4 0.125(11) 0.100(9) 0.183(14) 0.080(10) 0.026(10) 0.046(8) C5 0.181(11) 0.196(11) 0.241(11) 0.094(9) 0.052(9) 0.032(8) C6 0.191(11) 0.179(10) 0.203(11) 0.052(8) 0.013(8) 0.049(8) C7 0.039(4) 0.049(5) 0.069(5) 0.017(4) 0.007(4) 0.016(4) C8 0.048(5) 0.055(5) 0.058(5) 0.016(4) 0.006(4) 0.019(4) C9 0.057(5) 0.056(5) 0.049(4) 0.027(4) 0.019(4) 0.022(4) C10 0.069(6) 0.073(6) 0.097(7) 0.040(6) 0.003(6) 0.007(5) C11 0.219(16) 0.093(9) 0.125(10) 0.053(8) 0.069(10) -0.008(9) C12 0.193(10) 0.143(9) 0.145(9) 0.070(7) 0.033(8) -0.002(7) C13 0.045(4) 0.036(4) 0.065(5) 0.019(4) 0.001(4) 0.005(3) C14 0.033(4) 0.044(4) 0.075(6) 0.019(4) 0.003(4) 0.011(3) C15 0.037(4) 0.062(5) 0.054(5) 0.017(4) 0.007(4) 0.011(4) C16 0.083(7) 0.109(9) 0.071(7) 0.020(6) 0.026(6) 0.016(6) C17 0.211(10) 0.199(10) 0.145(9) 0.066(8) 0.073(8) 0.058(8) C18 0.203(10) 0.140(9) 0.132(9) 0.032(7) 0.040(7) 0.054(8) C19 0.048(5) 0.058(5) 0.061(5) 0.014(4) 0.009(4) 0.014(4) C20 0.044(5) 0.064(5) 0.064(5) 0.012(4) 0.000(4) 0.023(4) C21 0.053(5) 0.067(6) 0.073(6) 0.022(5) 0.002(4) 0.023(5) C22 0.094(8) 0.079(8) 0.151(11) 0.039(8) 0.029(8) 0.024(7) C23 0.188(10) 0.174(10) 0.208(10) 0.062(8) 0.069(8) 0.095(8) C24 0.234(11) 0.182(10) 0.211(11) 0.090(8) 0.043(8) 0.097(8) C25 0.039(5) 0.066(6) 0.086(6) 0.016(5) 0.006(4) 0.020(4) C26 0.051(5) 0.057(5) 0.074(6) 0.011(4) -0.002(4) 0.017(4) C27 0.049(5) 0.063(6) 0.083(6) 0.014(5) 0.010(5) 0.020(5) C28 0.104(9) 0.081(7) 0.104(8) 0.008(6) 0.036(7) 0.028(7) C29 0.086(9) 0.149(12) 0.211(15) -0.013(11) 0.044(10) 0.058(9) C30 0.224(11) 0.183(10) 0.168(9) 0.062(8) 0.083(8) 0.076(8) C31 0.042(5) 0.106(8) 0.075(6) 0.040(6) 0.023(5) 0.027(5) C32 0.044(5) 0.105(7) 0.061(5) 0.013(5) 0.013(4) 0.008(5) C33 0.050(5) 0.063(6) 0.078(6) 0.022(5) 0.011(5) 0.023(4) C34 0.080(7) 0.096(8) 0.106(9) 0.017(7) 0.013(6) 0.033(6) C35 0.27(2) 0.138(12) 0.158(13) 0.040(10) 0.062(13) 0.153(14) C36 0.211(10) 0.140(9) 0.143(9) 0.038(7) 0.035(8) 0.081(8) C37 0.051(5) 0.069(5) 0.055(5) 0.017(4) 0.025(4) 0.020(4) C38 0.041(4) 0.063(5) 0.074(6) 0.017(5) 0.014(4) 0.012(4) C39 0.061(5) 0.068(5) 0.067(5) 0.031(5) 0.027(5) 0.029(5) C40 0.154(11) 0.135(11) 0.075(8) 0.033(8) 0.019(7) 0.086(10) C41 0.195(10) 0.173(9) 0.166(10) 0.070(8) -0.010(7) 0.086(8) C42 0.213(10) 0.163(9) 0.149(9) 0.060(8) -0.013(7) 0.072(8) C43 0.082(7) 0.080(6) 0.059(5) 0.034(5) 0.037(5) 0.028(5) C44 0.057(5) 0.076(6) 0.074(6) 0.022(5) 0.020(5) 0.014(5) C45 0.060(5) 0.079(6) 0.075(6) 0.033(5) 0.036(5) 0.030(5) C46 0.082(7) 0.126(9) 0.109(8) 0.053(7) 0.031(6) 0.042(7) C47 0.185(7) 0.180(7) 0.184(7) 0.066(5) 0.019(5) 0.057(5) C48 0.233(18) 0.31(2) 0.094(10) 0.046(12) 0.016(11) 0.198(18) C49 0.049(5) 0.077(6) 0.074(6) 0.033(5) 0.029(4) 0.035(4) C50 0.053(5) 0.065(5) 0.059(5) 0.028(4) 0.025(4) 0.027(4) C51 0.046(4) 0.066(5) 0.060(5) 0.028(4) 0.015(4) 0.021(4) C52 0.078(7) 0.128(10) 0.101(8) 0.069(8) 0.032(6) 0.037(7) C53 0.210(9) 0.196(9) 0.208(9) 0.075(5) 0.016(5) 0.079(5) C54 0.123(11) 0.178(14) 0.139(12) 0.019(10) -0.036(9) 0.083(11) C55 0.037(4) 0.057(5) 0.064(5) 0.029(4) 0.013(4) 0.025(4) C56 0.043(4) 0.066(5) 0.049(4) 0.027(4) 0.021(4) 0.023(4) C57 0.041(4) 0.045(4) 0.055(5) 0.020(4) 0.012(4) 0.018(3) C58 0.107(7) 0.086(7) 0.082(6) 0.049(6) 0.006(6) 0.045(6) C59 0.206(15) 0.102(10) 0.080(8) 0.029(7) -0.034(9) 0.005(10) C60 0.206(7) 0.177(7) 0.176(7) 0.073(5) 0.013(5) 0.058(5) C61 0.042(4) 0.063(5) 0.062(5) 0.033(4) 0.015(4) 0.025(4) C62 0.037(4) 0.063(5) 0.062(5) 0.028(4) 0.018(4) 0.022(4) C63 0.045(4) 0.046(4) 0.067(5) 0.023(4) 0.016(4) 0.015(4) C64 0.059(6) 0.094(7) 0.107(8) 0.053(7) 0.016(6) 0.010(5) C65 0.194(10) 0.118(8) 0.131(8) 0.070(7) 0.043(7) -0.003(6) C66 0.202(9) 0.176(9) 0.184(9) 0.090(7) 0.027(6) 0.025(6) C67 0.049(5) 0.056(5) 0.088(6) 0.036(5) 0.013(4) 0.021(4) C68 0.053(5) 0.062(6) 0.121(8) 0.041(6) 0.023(5) 0.034(5) C69 0.067(6) 0.095(7) 0.129(9) 0.073(7) 0.030(6) 0.039(6) C70 0.132(8) 0.183(9) 0.147(8) 0.112(7) 0.044(7) 0.029(7) C71 0.118(11) 0.111(11) 0.266(19) 0.051(12) 0.089(13) -0.005(9) C72 0.230(19) 0.196(16) 0.146(13) 0.068(12) 0.106(13) 0.080(14) _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 N24 2.071(6) 1_055 ? Ag1 N1 2.078(6) . ? Ag2 N2 2.084(6) . ? Ag2 N3 2.098(6) . ? Ag2 Ag4 3.1719(9) 1_455 ? Ag3 N4 2.069(5) . ? Ag3 N5 2.075(5) . ? Ag4 N6 2.080(6) . ? Ag4 N7 2.081(6) . ? Ag4 Ag2 3.1719(9) 1_655 ? Ag5 N9 2.082(7) . ? Ag5 N8 2.084(6) . ? Ag6 N11 2.076(6) . ? Ag6 N10 2.083(6) . ? Ag6 Ag8 3.2608(10) 1_455 ? Ag7 N12 2.078(6) . ? Ag7 N13 2.081(6) . ? Ag8 N15 2.083(6) . ? Ag8 N14 2.084(6) . ? Ag8 Ag6 3.2608(10) 1_655 ? Ag9 N17 2.065(5) . ? Ag9 N16 2.074(6) . ? Ag10 N18 2.087(5) . ? Ag10 N19 2.099(5) . ? Ag10 Ag12 3.1643(9) 1_455 ? Ag11 N21 2.070(5) . ? Ag11 N20 2.073(5) . ? Ag12 N22 2.097(5) . ? Ag12 N23 2.100(6) . ? Ag12 Ag10 3.1643(9) 1_655 ? N1 C3 1.333(10) . ? N1 C1 1.343(9) . ? N2 C3 1.324(9) . ? N2 C2 1.356(9) . ? N3 C7 1.341(9) . ? N3 C9 1.341(9) . ? N4 C9 1.333(8) . ? N4 C8 1.362(9) . ? N5 C15 1.330(8) . ? N5 C13 1.371(9) . ? N6 C15 1.333(8) . ? N6 C14 1.380(9) . ? N7 C21 1.326(10) . ? N7 C19 1.351(9) . ? N8 C21 1.324(9) . ? N8 C20 1.364(9) . ? N9 C27 1.321(10) . ? N9 C25 1.360(10) . ? N10 C27 1.343(10) . ? N10 C26 1.364(10) . ? N11 C33 1.336(9) . ? N11 C31 1.347(10) . ? N12 C33 1.319(9) . ? N12 C32 1.376(10) . ? N13 C39 1.335(9) . ? N13 C37 1.350(9) . ? N14 C39 1.333(9) . ? N14 C38 1.351(9) . ? N15 C45 1.313(9) . ? N15 C43 1.342(10) . ? N16 C45 1.327(9) . ? N16 C44 1.361(10) . ? N17 C51 1.339(9) . ? N17 C49 1.360(9) . ? N18 C51 1.341(8) . ? N18 C50 1.365(9) . ? N19 C57 1.351(8) . ? N19 C55 1.366(8) . ? N20 C57 1.331(8) . ? N20 C56 1.360(8) . ? N21 C63 1.336(8) . ? N21 C61 1.378(8) . ? N22 C63 1.329(8) . ? N22 C62 1.366(8) . ? N23 C69 1.324(9) . ? N23 C67 1.363(9) . ? N24 C68 1.350(10) . ? N24 C69 1.353(10) . ? N24 Ag1 2.071(6) 1_:55 ? C1 C2 1.334(10) . ? C1 H1A 0.9300 . ? C2 H2A 0.9300 . ? C3 C4 1.530(14) . ? C4 C5 1.456(18) . ? C4 C6 1.520(18) . ? C4 H4A 0.9800 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? C7 C8 1.360(9) . ? C7 H7A 0.9300 . ? C8 H8A 0.9300 . ? C9 C10 1.488(11) . ? C10 C12 1.382(14) . ? C10 C11 1.435(13) . ? C10 H10A 0.9800 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 C14 1.352(9) . ? C13 H13A 0.9300 . ? C14 H14A 0.9300 . ? C15 C16 1.492(12) . ? C16 C17 1.399(14) . ? C16 C18 1.405(15) . ? C16 H16A 0.9800 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 C20 1.330(10) . ? C19 H19A 0.9300 . ? C20 H20A 0.9300 . ? C21 C22 1.511(13) . ? C22 C23 1.368(16) . ? C22 C24 1.389(17) . ? C22 H22A 0.9800 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 C26 1.327(10) . ? C25 H25A 0.9300 . ? C26 H26A 0.9300 . ? C27 C28 1.514(12) . ? C28 C29 1.473(15) . ? C28 C30 1.483(16) . ? C28 H28A 0.9800 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.336(10) . ? C31 H31A 0.9300 . ? C32 H32A 0.9300 . ? C33 C34 1.512(13) . ? C34 C36 1.402(15) . ? C34 C35 1.444(14) . ? C34 H34A 0.9800 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? C37 C38 1.357(9) . ? C37 H37A 0.9300 . ? C38 H38A 0.9300 . ? C39 C40 1.512(12) . ? C40 C42 1.326(16) . ? C40 C41 1.383(15) . ? C40 H40A 0.9800 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 C44 1.353(10) . ? C43 H43A 0.9300 . ? C44 H44A 0.9300 . ? C45 C46 1.500(13) . ? C46 C47 1.407(16) . ? C46 C48 1.446(15) . ? C46 H46A 0.9800 . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? C48 H48A 0.9600 . ? C48 H48B 0.9600 . ? C48 H48C 0.9600 . ? C49 C50 1.362(9) . ? C49 H49A 0.9300 . ? C50 H50A 0.9300 . ? C51 C52 1.487(11) . ? C52 C53 1.346(17) . ? C52 C54 1.467(15) . ? C52 H52A 0.9800 . ? C53 H53A 0.9600 . ? C53 H53B 0.9600 . ? C53 H53C 0.9600 . ? C54 H54A 0.9600 . ? C54 H54B 0.9600 . ? C54 H54C 0.9600 . ? C55 C56 1.344(9) . ? C55 H55A 0.9300 . ? C56 H56A 0.9300 . ? C57 C58 1.492(10) . ? C58 C60 1.336(15) . ? C58 C59 1.447(13) . ? C58 H58A 0.9800 . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C61 C62 1.335(9) . ? C61 H61A 0.9300 . ? C62 H62A 0.9300 . ? C63 C64 1.494(11) . ? C64 C66 1.391(16) . ? C64 C65 1.399(14) . ? C64 H64A 0.9800 . ? C65 H65A 0.9600 . ? C65 H65B 0.9600 . ? C65 H65C 0.9600 . ? C66 H66A 0.9600 . ? C66 H66B 0.9600 . ? C66 H66C 0.9600 . ? C67 C68 1.333(10) . ? C67 H67A 0.9300 . ? C68 H68A 0.9300 . ? C69 C70 1.551(15) . ? C70 C71 1.467(19) . ? C70 C72 1.473(19) . ? C70 H70A 0.9800 . ? C71 H71A 0.9600 . ? C71 H71B 0.9600 . ? C71 H71C 0.9600 . ? C72 H72A 0.9600 . ? C72 H72B 0.9600 . ? C72 H72C 0.9600 . ? 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 N24 Ag1 N1 177.0(3) 1_055 . ? N2 Ag2 N3 177.1(2) . . ? N2 Ag2 Ag4 103.74(17) . 1_455 ? N3 Ag2 Ag4 75.43(16) . 1_455 ? N4 Ag3 N5 172.3(3) . . ? N6 Ag4 N7 177.8(2) . . ? N6 Ag4 Ag2 81.02(16) . 1_655 ? N7 Ag4 Ag2 101.18(17) . 1_655 ? N9 Ag5 N8 175.9(3) . . ? N11 Ag6 N10 176.0(3) . . ? N11 Ag6 Ag8 78.43(19) . 1_455 ? N10 Ag6 Ag8 105.03(18) . 1_455 ? N12 Ag7 N13 173.9(3) . . ? N15 Ag8 N14 175.2(3) . . ? N15 Ag8 Ag6 107.12(18) . 1_655 ? N14 Ag8 Ag6 73.83(18) . 1_655 ? N17 Ag9 N16 178.1(3) . . ? N18 Ag10 N19 178.6(2) . . ? N18 Ag10 Ag12 104.53(17) . 1_455 ? N19 Ag10 Ag12 75.44(16) . 1_455 ? N21 Ag11 N20 178.0(2) . . ? N22 Ag12 N23 178.5(3) . . ? N22 Ag12 Ag10 74.82(17) . 1_655 ? N23 Ag12 Ag10 103.67(19) . 1_655 ? C3 N1 C1 105.6(6) . . ? C3 N1 Ag1 130.8(6) . . ? C1 N1 Ag1 122.3(5) . . ? C3 N2 C2 104.7(6) . . ? C3 N2 Ag2 133.8(6) . . ? C2 N2 Ag2 120.7(5) . . ? C7 N3 C9 106.2(6) . . ? C7 N3 Ag2 124.4(5) . . ? C9 N3 Ag2 129.1(5) . . ? C9 N4 C8 105.2(6) . . ? C9 N4 Ag3 132.6(5) . . ? C8 N4 Ag3 122.1(5) . . ? C15 N5 C13 105.9(6) . . ? C15 N5 Ag3 131.9(5) . . ? C13 N5 Ag3 121.9(5) . . ? C15 N6 C14 105.9(6) . . ? C15 N6 Ag4 128.6(5) . . ? C14 N6 Ag4 125.4(5) . . ? C21 N7 C19 104.9(6) . . ? C21 N7 Ag4 129.0(6) . . ? C19 N7 Ag4 125.9(6) . . ? C21 N8 C20 104.6(7) . . ? C21 N8 Ag5 128.8(6) . . ? C20 N8 Ag5 126.1(5) . . ? C27 N9 C25 104.8(7) . . ? C27 N9 Ag5 127.8(6) . . ? C25 N9 Ag5 126.6(6) . . ? C27 N10 C26 104.4(7) . . ? C27 N10 Ag6 134.2(6) . . ? C26 N10 Ag6 121.4(5) . . ? C33 N11 C31 104.1(7) . . ? C33 N11 Ag6 131.4(6) . . ? C31 N11 Ag6 124.4(5) . . ? C33 N12 C32 104.8(7) . . ? C33 N12 Ag7 131.0(6) . . ? C32 N12 Ag7 123.7(6) . . ? C39 N13 C37 105.6(6) . . ? C39 N13 Ag7 131.5(6) . . ? C37 N13 Ag7 122.1(5) . . ? C39 N14 C38 105.6(6) . . ? C39 N14 Ag8 131.2(5) . . ? C38 N14 Ag8 122.5(5) . . ? C45 N15 C43 105.3(7) . . ? C45 N15 Ag8 132.8(6) . . ? C43 N15 Ag8 121.4(5) . . ? C45 N16 C44 104.9(7) . . ? C45 N16 Ag9 130.1(6) . . ? C44 N16 Ag9 124.5(5) . . ? C51 N17 C49 105.0(6) . . ? C51 N17 Ag9 128.3(5) . . ? C49 N17 Ag9 126.7(5) . . ? C51 N18 C50 104.8(6) . . ? C51 N18 Ag10 130.9(5) . . ? C50 N18 Ag10 124.1(5) . . ? C57 N19 C55 105.3(5) . . ? C57 N19 Ag10 129.4(5) . . ? C55 N19 Ag10 124.7(4) . . ? C57 N20 C56 105.7(5) . . ? C57 N20 Ag11 130.9(5) . . ? C56 N20 Ag11 123.0(4) . . ? C63 N21 C61 105.5(5) . . ? C63 N21 Ag11 130.4(5) . . ? C61 N21 Ag11 124.1(5) . . ? C63 N22 C62 104.7(5) . . ? C63 N22 Ag12 128.8(5) . . ? C62 N22 Ag12 126.5(4) . . ? C69 N23 C67 105.4(6) . . ? C69 N23 Ag12 133.1(6) . . ? C67 N23 Ag12 121.4(5) . . ? C68 N24 C69 105.4(6) . . ? C68 N24 Ag1 124.2(5) . 1_:55 ? C69 N24 Ag1 130.3(6) . 1_:55 ? C2 C1 N1 108.3(7) . . ? C2 C1 H1A 125.8 . . ? N1 C1 H1A 125.8 . . ? C1 C2 N2 109.3(7) . . ? C1 C2 H2A 125.4 . . ? N2 C2 H2A 125.4 . . ? N2 C3 N1 112.1(7) . . ? N2 C3 C4 121.8(8) . . ? N1 C3 C4 125.9(8) . . ? C5 C4 C6 112.4(13) . . ? C5 C4 C3 110.0(12) . . ? C6 C4 C3 109.8(12) . . ? C5 C4 H4A 108.1 . . ? C6 C4 H4A 108.1 . . ? C3 C4 H4A 108.1 . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C4 C6 H6A 109.5 . . ? C4 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C4 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? N3 C7 C8 108.2(7) . . ? N3 C7 H7A 125.9 . . ? C8 C7 H7A 125.9 . . ? C7 C8 N4 108.6(7) . . ? C7 C8 H8A 125.7 . . ? N4 C8 H8A 125.7 . . ? N4 C9 N3 111.8(6) . . ? N4 C9 C10 125.3(7) . . ? N3 C9 C10 122.8(7) . . ? C12 C10 C11 117.8(10) . . ? C12 C10 C9 118.2(9) . . ? C11 C10 C9 113.8(9) . . ? C12 C10 H10A 100.7 . . ? C11 C10 H10A 100.7 . . ? C9 C10 H10A 100.7 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 N5 108.6(7) . . ? C14 C13 H13A 125.7 . . ? N5 C13 H13A 125.7 . . ? C13 C14 N6 107.7(7) . . ? C13 C14 H14A 126.2 . . ? N6 C14 H14A 126.2 . . ? N5 C15 N6 112.0(7) . . ? N5 C15 C16 125.2(7) . . ? N6 C15 C16 122.8(7) . . ? C17 C16 C18 121.9(12) . . ? C17 C16 C15 113.6(10) . . ? C18 C16 C15 114.9(10) . . ? C17 C16 H16A 100.4 . . ? C18 C16 H16A 100.4 . . ? C15 C16 H16A 100.4 . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C20 C19 N7 109.1(7) . . ? C20 C19 H19A 125.5 . . ? N7 C19 H19A 125.4 . . ? C19 C20 N8 108.6(7) . . ? C19 C20 H20A 125.7 . . ? N8 C20 H20A 125.7 . . ? N8 C21 N7 112.8(7) . . ? N8 C21 C22 123.5(9) . . ? N7 C21 C22 123.8(8) . . ? C23 C22 C24 127.5(14) . . ? C23 C22 C21 113.4(11) . . ? C24 C22 C21 116.6(12) . . ? C23 C22 H22A 95.2 . . ? C24 C22 H22A 95.2 . . ? C21 C22 H22A 95.2 . . ? C22 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C22 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C22 C24 H24A 109.5 . . ? C22 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C22 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C26 C25 N9 109.3(8) . . ? C26 C25 H25A 125.3 . . ? N9 C25 H25A 125.3 . . ? C25 C26 N10 108.8(8) . . ? C25 C26 H26A 125.6 . . ? N10 C26 H26A 125.6 . . ? N9 C27 N10 112.7(8) . . ? N9 C27 C28 122.6(9) . . ? N10 C27 C28 124.7(8) . . ? C29 C28 C30 113.9(12) . . ? C29 C28 C27 115.4(10) . . ? C30 C28 C27 111.8(10) . . ? C29 C28 H28A 104.8 . . ? C30 C28 H28A 104.8 . . ? C27 C28 H28A 104.8 . . ? C28 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C28 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C28 C30 H30A 109.5 . . ? C28 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C28 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 N11 110.2(8) . . ? C32 C31 H31A 124.9 . . ? N11 C31 H31A 124.9 . . ? C31 C32 N12 107.5(8) . . ? C31 C32 H32A 126.2 . . ? N12 C32 H32A 126.2 . . ? N12 C33 N11 113.2(8) . . ? N12 C33 C34 125.4(8) . . ? N11 C33 C34 121.1(8) . . ? C36 C34 C35 114.0(11) . . ? C36 C34 C33 114.0(10) . . ? C35 C34 C33 115.8(10) . . ? C36 C34 H34A 103.7 . . ? C35 C34 H34A 103.7 . . ? C33 C34 H34A 103.7 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? N13 C37 C38 108.4(7) . . ? N13 C37 H37A 125.8 . . ? C38 C37 H37A 125.8 . . ? N14 C38 C37 108.5(7) . . ? N14 C38 H38A 125.8 . . ? C37 C38 H38A 125.8 . . ? N14 C39 N13 111.9(7) . . ? N14 C39 C40 124.5(8) . . ? N13 C39 C40 123.6(8) . . ? C42 C40 C41 123.7(13) . . ? C42 C40 C39 116.5(11) . . ? C41 C40 C39 117.5(11) . . ? C42 C40 H40A 95.0 . . ? C41 C40 H40A 95.0 . . ? C39 C40 H40A 95.0 . . ? C40 C41 H41A 109.5 . . ? C40 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C40 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C40 C42 H42A 109.5 . . ? C40 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C40 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? N15 C43 C44 109.1(8) . . ? N15 C43 H43A 125.4 . . ? C44 C43 H43A 125.4 . . ? C43 C44 N16 107.6(8) . . ? C43 C44 H44A 126.2 . . ? N16 C44 H44A 126.2 . . ? N15 C45 N16 113.2(8) . . ? N15 C45 C46 125.0(8) . . ? N16 C45 C46 121.8(8) . . ? C47 C46 C48 117.1(13) . . ? C47 C46 C45 115.6(11) . . ? C48 C46 C45 115.0(11) . . ? C47 C46 H46A 101.9 . . ? C48 C46 H46A 101.9 . . ? C45 C46 H46A 101.9 . . ? C46 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C46 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C46 C48 H48A 109.5 . . ? C46 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C46 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? N17 C49 C50 108.7(6) . . ? N17 C49 H49A 125.6 . . ? C50 C49 H49A 125.6 . . ? C49 C50 N18 108.6(6) . . ? C49 C50 H50A 125.7 . . ? N18 C50 H50A 125.7 . . ? N17 C51 N18 112.8(6) . . ? N17 C51 C52 123.0(7) . . ? N18 C51 C52 124.0(7) . . ? C53 C52 C54 122.8(12) . . ? C53 C52 C51 113.8(12) . . ? C54 C52 C51 115.3(9) . . ? C53 C52 H52A 99.5 . . ? C54 C52 H52A 99.5 . . ? C51 C52 H52A 99.5 . . ? C52 C53 H53A 109.5 . . ? C52 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C52 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C52 C54 H54A 109.5 . . ? C52 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C52 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C56 C55 N19 108.3(6) . . ? C56 C55 H55A 125.9 . . ? N19 C55 H55A 125.9 . . ? C55 C56 N20 109.1(6) . . ? C55 C56 H56A 125.4 . . ? N20 C56 H56A 125.4 . . ? N20 C57 N19 111.6(6) . . ? N20 C57 C58 124.9(7) . . ? N19 C57 C58 123.5(7) . . ? C60 C58 C59 124.8(11) . . ? C60 C58 C57 119.6(11) . . ? C59 C58 C57 114.8(8) . . ? C60 C58 H58A 93.0 . . ? C59 C58 H58A 93.0 . . ? C57 C58 H58A 93.0 . . ? C58 C59 H59A 109.5 . . ? C58 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? C58 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C58 C60 H60A 109.5 . . ? C58 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C58 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C62 C61 N21 107.4(6) . . ? C62 C61 H61A 126.3 . . ? N21 C61 H61A 126.3 . . ? C61 C62 N22 110.0(6) . . ? C61 C62 H62A 125.0 . . ? N22 C62 H62A 125.0 . . ? N22 C63 N21 112.4(6) . . ? N22 C63 C64 123.1(7) . . ? N21 C63 C64 124.4(7) . . ? C66 C64 C65 121.7(11) . . ? C66 C64 C63 116.1(10) . . ? C65 C64 C63 117.1(9) . . ? C66 C64 H64A 97.5 . . ? C65 C64 H64A 97.5 . . ? C63 C64 H64A 97.5 . . ? C64 C65 H65A 109.5 . . ? C64 C65 H65B 109.5 . . ? H65A C65 H65B 109.5 . . ? C64 C65 H65C 109.5 . . ? H65A C65 H65C 109.5 . . ? H65B C65 H65C 109.5 . . ? C64 C66 H66A 109.5 . . ? C64 C66 H66B 109.5 . . ? H66A C66 H66B 109.5 . . ? C64 C66 H66C 109.5 . . ? H66A C66 H66C 109.5 . . ? H66B C66 H66C 109.5 . . ? C68 C67 N23 109.0(7) . . ? C68 C67 H67A 125.5 . . ? N23 C67 H67A 125.5 . . ? C67 C68 N24 108.7(7) . . ? C67 C68 H68A 125.6 . . ? N24 C68 H68A 125.6 . . ? N23 C69 N24 111.5(8) . . ? N23 C69 C70 123.7(9) . . ? N24 C69 C70 124.9(9) . . ? C71 C70 C72 135.6(14) . . ? C71 C70 C69 114.4(12) . . ? C72 C70 C69 110.0(13) . . ? C71 C70 H70A 90.5 . . ? C72 C70 H70A 90.5 . . ? C69 C70 H70A 90.5 . . ? C70 C71 H71A 109.5 . . ? C70 C71 H71B 109.5 . . ? H71A C71 H71B 109.5 . . ? C70 C71 H71C 109.5 . . ? H71A C71 H71C 109.5 . . ? H71B C71 H71C 109.5 . . ? C70 C72 H72A 109.5 . . ? C70 C72 H72B 109.5 . . ? H72A C72 H72B 109.5 . . ? C70 C72 H72C 109.5 . . ? H72A C72 H72C 109.5 . . ? H72B C72 H72C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.988 _refine_diff_density_max 0.996 _refine_diff_density_min -0.574 _refine_diff_density_rms 0.111 # Attachment '- 3.cif' data_3 _database_code_depnum_ccdc_archive 'CCDC 794206' #TrackingRef '- 3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C84 H126 Ag14 N28' _chemical_formula_weight 3038.31 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' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M Pna2(1) loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z+1/2' _cell_length_a 20.760(3) _cell_length_b 36.095(6) _cell_length_c 13.531(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 10139(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.990 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5936 _exptl_absorpt_coefficient_mu 2.692 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6151 _exptl_absorpt_correction_T_max 0.6882 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 _diffrn_measurement_method '/w scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 38308 _diffrn_reflns_av_R_equivalents 0.0966 _diffrn_reflns_av_sigmaI/netI 0.0785 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min -44 _diffrn_reflns_limit_k_max 37 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_theta_min 1.13 _diffrn_reflns_theta_max 26.00 _reflns_number_total 13601 _reflns_number_gt 9772 _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 _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1086P)^2^+8.2457P] 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 0.26(7) _refine_ls_number_reflns 13601 _refine_ls_number_parameters 1135 _refine_ls_number_restraints 61 _refine_ls_R_factor_all 0.0951 _refine_ls_R_factor_gt 0.0759 _refine_ls_wR_factor_ref 0.1962 _refine_ls_wR_factor_gt 0.1820 _refine_ls_goodness_of_fit_ref 1.074 _refine_ls_restrained_S_all 1.074 _refine_ls_shift/su_max 0.001 _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 Ag1 Ag -0.69683(7) 0.41139(4) -0.12494(15) 0.0565(4) Uani 1 1 d . . . Ag2 Ag -0.50843(7) 0.53504(5) -0.00672(13) 0.0565(4) Uani 1 1 d . . . Ag3 Ag -0.23836(7) 0.53218(5) 0.16229(14) 0.0606(5) Uani 1 1 d . . . Ag4 Ag -0.04749(7) 0.41250(4) 0.31199(12) 0.0493(4) Uani 1 1 d . . . Ag5 Ag 0.10570(7) 0.27124(4) 0.43554(12) 0.0552(4) Uani 1 1 d . . . Ag6 Ag 0.37256(8) 0.21429(4) 0.57810(16) 0.0721(4) Uani 1 1 d . . . Ag7 Ag 0.63956(7) 0.26989(3) 0.72143(12) 0.0512(3) Uani 1 1 d . . . Ag8 Ag 0.80023(7) 0.40988(4) 0.83737(13) 0.0502(4) Uani 1 1 d . . . Ag9 Ag 0.99210(7) 0.52925(4) 0.98706(13) 0.0516(4) Uani 1 1 d . . . Ag10 Ag 1.26094(6) 0.53372(4) 1.16714(12) 0.0512(4) Uani 1 1 d . . . Ag11 Ag 1.44664(7) 0.40849(4) 1.28952(14) 0.0531(4) Uani 1 1 d . . . Ag12 Ag 1.60442(7) 0.26646(4) 1.22978(13) 0.0535(4) Uani 1 1 d . . . Ag13 Ag 1.87827(8) 0.22400(4) 1.07802(17) 0.0674(4) Uani 1 1 d . . . Ag14 Ag 2.15181(7) 0.26707(3) 0.92681(12) 0.0517(3) Uani 1 1 d . . . N1 N -0.6590(7) 0.4632(4) -0.0969(12) 0.043(4) Uani 1 1 d . . . N2 N -0.5933(7) 0.5096(4) -0.0575(13) 0.043(4) Uani 1 1 d . . . N3 N -0.4226(7) 0.5562(4) 0.0449(11) 0.041(4) Uani 1 1 d . . . N4 N -0.3244(9) 0.5554(5) 0.1101(14) 0.059(5) Uani 1 1 d . . . N5 N -0.1554(7) 0.5047(5) 0.2032(11) 0.054(4) Uani 1 1 d . . . N6 N -0.0837(7) 0.4626(5) 0.2571(12) 0.050(4) Uani 1 1 d . . . N7 N -0.0193(7) 0.3590(4) 0.3561(12) 0.051(4) Uani 1 1 d . . . N8 N 0.0324(7) 0.3068(3) 0.3916(12) 0.050(4) Uani 1 1 d . . . N9 N 0.1821(8) 0.2369(4) 0.4783(12) 0.058(4) Uani 1 1 d . . . N10 N 0.2769(9) 0.2150(5) 0.5187(13) 0.066(5) Uani 1 1 d . . . N11 N 0.4635(8) 0.2168(4) 0.6352(12) 0.052(4) Uani 1 1 d . . . N12 N 0.5641(8) 0.2361(4) 0.6806(12) 0.056(4) Uani 1 1 d . . . N13 N 0.7142(7) 0.3051(3) 0.7618(10) 0.047(3) Uani 1 1 d . . . N14 N 0.7694(6) 0.3562(3) 0.7974(12) 0.042(3) Uani 1 1 d . . . N15 N 0.8404(7) 0.4596(4) 0.8872(13) 0.041(4) Uani 1 1 d . . . N16 N 0.9068(7) 0.5049(4) 0.9320(13) 0.047(4) Uani 1 1 d . . . N17 N 1.0780(6) 0.5523(4) 1.0395(10) 0.034(3) Uani 1 1 d . . . N18 N 1.1770(8) 0.5552(4) 1.1011(12) 0.047(4) Uani 1 1 d . . . N19 N 1.3417(7) 0.5052(4) 1.2171(13) 0.047(4) Uani 1 1 d . . . N20 N 1.4099(7) 0.4611(5) 1.2657(12) 0.049(4) Uani 1 1 d . . . N21 N 1.4764(7) 0.3541(4) 1.2903(14) 0.058(4) Uani 1 1 d . . . N22 N 1.5285(7) 0.3005(4) 1.2707(11) 0.049(4) Uani 1 1 d . . . N23 N 1.6843(9) 0.2372(4) 1.1818(13) 0.064(5) Uani 1 1 d . . . N24 N 1.7843(7) 0.2220(4) 1.1337(12) 0.047(3) Uani 1 1 d . . . N25 N 1.9743(9) 0.2228(4) 1.0224(14) 0.067(5) Uani 1 1 d . . . N26 N 2.0725(8) 0.2365(4) 0.9721(12) 0.056(4) Uani 1 1 d . . . N27 N 2.2261(7) 0.3017(4) 0.8835(12) 0.049(4) Uani 1 1 d . . . N28 N 2.2773(7) 0.3555(4) 0.8634(14) 0.054(4) Uani 1 1 d . . . C1 C -0.6948(8) 0.4957(5) -0.0828(17) 0.052(5) Uani 1 1 d . . . H1A H -0.7392 0.4984 -0.0890 0.062 Uiso 1 1 calc R . . C2 C -0.6507(10) 0.5232(5) -0.0576(15) 0.047(5) Uani 1 1 d . . . H2A H -0.6611 0.5477 -0.0431 0.056 Uiso 1 1 calc R . . C3 C -0.5979(8) 0.4718(5) -0.0849(16) 0.050(5) Uani 1 1 d D . . C4 C -0.5419(7) 0.4459(4) -0.0866(11) 0.038(4) Uani 1 1 d D . . H4A H -0.5021 0.4605 -0.0870 0.046 Uiso 1 1 calc R . . C5 C -0.5457(10) 0.4238(6) -0.1825(14) 0.071(7) Uani 1 1 d D . . H5A H -0.5464 0.4405 -0.2376 0.106 Uiso 1 1 calc R . . H5B H -0.5843 0.4091 -0.1826 0.106 Uiso 1 1 calc R . . H5C H -0.5089 0.4078 -0.1876 0.106 Uiso 1 1 calc R . . C6 C -0.5435(11) 0.4226(6) 0.0071(14) 0.069(6) Uani 1 1 d D . . H6A H -0.5416 0.4385 0.0638 0.104 Uiso 1 1 calc R . . H6B H -0.5073 0.4060 0.0076 0.104 Uiso 1 1 calc R . . H6C H -0.5827 0.4085 0.0089 0.104 Uiso 1 1 calc R . . C7 C -0.4027(9) 0.5918(5) 0.0584(17) 0.049(5) Uani 1 1 d . . . H7A H -0.4264 0.6127 0.0413 0.059 Uiso 1 1 calc R . . C8 C -0.3448(11) 0.5925(5) 0.0994(19) 0.062(6) Uani 1 1 d . . . H8A H -0.3218 0.6135 0.1177 0.074 Uiso 1 1 calc R . . C9 C -0.3771(12) 0.5355(3) 0.0828(17) 0.046(4) Uani 1 1 d D . . C10 C -0.371(2) 0.4944(3) 0.0785(16) 0.127(11) Uani 1 1 d D . . H10A H -0.3246 0.4956 0.0873 0.152 Uiso 1 1 calc R . . C11 C -0.3646(12) 0.4736(6) -0.0169(18) 0.111(13) Uani 1 1 d D . . H11A H -0.3572 0.4907 -0.0699 0.167 Uiso 1 1 calc R . . H11B H -0.4034 0.4599 -0.0296 0.167 Uiso 1 1 calc R . . H11C H -0.3289 0.4568 -0.0123 0.167 Uiso 1 1 calc R . . C12 C -0.3809(11) 0.4804(6) 0.1818(19) 0.095(10) Uani 1 1 d D . . H12A H -0.3854 0.5011 0.2261 0.143 Uiso 1 1 calc R . . H12B H -0.3443 0.4659 0.2011 0.143 Uiso 1 1 calc R . . H12C H -0.4190 0.4654 0.1845 0.143 Uiso 1 1 calc R . . C13 C -0.0899(9) 0.5197(6) 0.2044(15) 0.056(5) Uani 1 1 d . . . H13A H -0.0780 0.5432 0.1829 0.067 Uiso 1 1 calc R . . C14 C -0.0517(8) 0.4952(6) 0.2398(18) 0.059(6) Uani 1 1 d . . . H14A H -0.0081 0.4990 0.2521 0.071 Uiso 1 1 calc R . . C15 C -0.1465(7) 0.4711(4) 0.2328(13) 0.034(4) Uani 1 1 d D . . C16 C -0.1997(8) 0.4434(4) 0.2378(12) 0.053(5) Uani 1 1 d D . . H16A H -0.2393 0.4581 0.2352 0.063 Uiso 1 1 calc R . . C17 C -0.2070(11) 0.4193(7) 0.3290(14) 0.069(7) Uani 1 1 d D . . H17A H -0.2049 0.4345 0.3871 0.103 Uiso 1 1 calc R . . H17B H -0.1730 0.4013 0.3308 0.103 Uiso 1 1 calc R . . H17C H -0.2479 0.4068 0.3269 0.103 Uiso 1 1 calc R . . C18 C -0.2046(12) 0.4170(8) 0.1510(19) 0.107(11) Uani 1 1 d D . . H18A H -0.2016 0.4307 0.0904 0.161 Uiso 1 1 calc R . . H18B H -0.2453 0.4043 0.1534 0.161 Uiso 1 1 calc R . . H18C H -0.1703 0.3992 0.1543 0.161 Uiso 1 1 calc R . . C19 C -0.0656(9) 0.3312(5) 0.3693(17) 0.062(5) Uani 1 1 d . . . H19A H -0.1101 0.3338 0.3657 0.074 Uiso 1 1 calc R . . C20 C -0.0318(10) 0.2998(5) 0.3884(14) 0.056(5) Uani 1 1 d . . . H20A H -0.0501 0.2766 0.3980 0.067 Uiso 1 1 calc R . . C21 C 0.0379(6) 0.3435(4) 0.3727(13) 0.041(4) Uani 1 1 d D . . C22 C 0.1009(7) 0.3630(4) 0.3763(11) 0.050(5) Uani 1 1 d D . . H22A H 0.1346 0.3444 0.3653 0.060 Uiso 1 1 calc R . . C23 C 0.1088(10) 0.3926(5) 0.2971(17) 0.073(7) Uani 1 1 d D . . H23A H 0.1005 0.3820 0.2333 0.110 Uiso 1 1 calc R . . H23B H 0.1519 0.4021 0.2989 0.110 Uiso 1 1 calc R . . H23C H 0.0788 0.4124 0.3091 0.110 Uiso 1 1 calc R . . C24 C 0.1129(9) 0.3800(5) 0.4770(14) 0.065(5) Uani 1 1 d D . . H24A H 0.1073 0.3615 0.5272 0.098 Uiso 1 1 calc R . . H24B H 0.0830 0.3999 0.4879 0.098 Uiso 1 1 calc R . . H24C H 0.1561 0.3894 0.4799 0.098 Uiso 1 1 calc R . . C25 C 0.1798(9) 0.1992(4) 0.4740(16) 0.056(5) Uani 1 1 d . . . H25A H 0.1442 0.1849 0.4574 0.067 Uiso 1 1 calc R . . C26 C 0.2410(10) 0.1860(5) 0.4994(15) 0.058(5) Uani 1 1 d . . . H26A H 0.2538 0.1613 0.5021 0.069 Uiso 1 1 calc R . . C27 C 0.2408(11) 0.2466(4) 0.5038(19) 0.054(6) Uani 1 1 d D . . C28 C 0.2635(12) 0.2858(5) 0.5144(16) 0.078(7) Uani 1 1 d DU . . H28A H 0.3069 0.2777 0.5331 0.094 Uiso 1 1 calc R . . C29 C 0.2879(14) 0.3035(8) 0.4215(19) 0.121(10) Uani 1 1 d DU . . H29A H 0.3026 0.2847 0.3767 0.181 Uiso 1 1 calc R . . H29B H 0.3229 0.3199 0.4371 0.181 Uiso 1 1 calc R . . H29C H 0.2538 0.3174 0.3910 0.181 Uiso 1 1 calc R . . C30 C 0.2527(18) 0.3035(8) 0.6136(19) 0.161(18) Uani 1 1 d D . . H30A H 0.2443 0.2847 0.6619 0.241 Uiso 1 1 calc R . . H30B H 0.2166 0.3200 0.6098 0.241 Uiso 1 1 calc R . . H30C H 0.2905 0.3172 0.6324 0.241 Uiso 1 1 calc R . . C31 C 0.5036(8) 0.1856(5) 0.6578(16) 0.055(5) Uani 1 1 d . . . H31A H 0.4903 0.1610 0.6572 0.066 Uiso 1 1 calc R . . C32 C 0.5652(8) 0.1978(4) 0.6807(13) 0.048(4) Uani 1 1 d . . . H32A H 0.6008 0.1829 0.6937 0.057 Uiso 1 1 calc R . . C33 C 0.5013(9) 0.2447(4) 0.6536(19) 0.048(5) Uani 1 1 d D . . C34 C 0.4722(12) 0.2822(5) 0.6409(14) 0.074(7) Uani 1 1 d D . . H34A H 0.4273 0.2770 0.6232 0.089 Uiso 1 1 calc R . . C35 C 0.4670(17) 0.3035(7) 0.7363(17) 0.151(16) Uani 1 1 d D . . H35A H 0.4545 0.2869 0.7884 0.227 Uiso 1 1 calc R . . H35B H 0.4353 0.3226 0.7295 0.227 Uiso 1 1 calc R . . H35C H 0.5080 0.3143 0.7518 0.227 Uiso 1 1 calc R . . C36 C 0.4987(16) 0.3013(7) 0.551(2) 0.121(12) Uani 1 1 d D . . H36A H 0.5066 0.2834 0.5002 0.182 Uiso 1 1 calc R . . H36B H 0.5384 0.3135 0.5679 0.182 Uiso 1 1 calc R . . H36C H 0.4682 0.3193 0.5278 0.182 Uiso 1 1 calc R . . C37 C 0.7788(9) 0.2966(5) 0.7688(14) 0.051(4) Uani 1 1 d . . . H37A H 0.7964 0.2731 0.7615 0.061 Uiso 1 1 calc R . . C38 C 0.8113(8) 0.3266(5) 0.7874(14) 0.051(4) Uani 1 1 d . . . H38A H 0.8559 0.3280 0.7930 0.061 Uiso 1 1 calc R . . C39 C 0.7116(6) 0.3417(4) 0.7817(12) 0.040(4) Uani 1 1 d D . . C40 C 0.6503(6) 0.3631(4) 0.7785(11) 0.044(4) Uani 1 1 d D . . H40A H 0.6167 0.3446 0.7911 0.053 Uiso 1 1 calc R . . C41 C 0.6349(11) 0.3781(5) 0.6767(12) 0.073(6) Uani 1 1 d D . . H41A H 0.6391 0.3586 0.6289 0.110 Uiso 1 1 calc R . . H41B H 0.6642 0.3977 0.6609 0.110 Uiso 1 1 calc R . . H41C H 0.5916 0.3874 0.6759 0.110 Uiso 1 1 calc R . . C42 C 0.6427(9) 0.3910(5) 0.8614(16) 0.070(7) Uani 1 1 d D . . H42A H 0.6522 0.3793 0.9234 0.105 Uiso 1 1 calc R . . H42B H 0.5993 0.4001 0.8622 0.105 Uiso 1 1 calc R . . H42C H 0.6719 0.4112 0.8511 0.105 Uiso 1 1 calc R . . C43 C 0.8051(8) 0.4920(4) 0.9018(13) 0.038(4) Uani 1 1 d . . . H43A H 0.7609 0.4949 0.8946 0.045 Uiso 1 1 calc R . . C44 C 0.8501(9) 0.5197(5) 0.9299(14) 0.044(4) Uani 1 1 d . . . H44A H 0.8404 0.5442 0.9444 0.053 Uiso 1 1 calc R . . C45 C 0.9014(7) 0.4674(5) 0.9032(13) 0.041(4) Uani 1 1 d D . . C46 C 0.9567(8) 0.4411(4) 0.9071(11) 0.047(5) Uani 1 1 d D . . H46A H 0.9965 0.4557 0.9092 0.056 Uiso 1 1 calc R . . C47 C 0.9571(10) 0.4184(6) 0.8127(15) 0.065(6) Uani 1 1 d D . . H47A H 0.9572 0.4348 0.7567 0.097 Uiso 1 1 calc R . . H47B H 0.9193 0.4031 0.8105 0.097 Uiso 1 1 calc R . . H47C H 0.9948 0.4031 0.8111 0.097 Uiso 1 1 calc R . . C48 C 0.9515(11) 0.4194(6) 1.0036(15) 0.074(7) Uani 1 1 d D . . H48A H 0.9499 0.4364 1.0582 0.111 Uiso 1 1 calc R . . H48B H 0.9883 0.4035 1.0105 0.111 Uiso 1 1 calc R . . H48C H 0.9130 0.4047 1.0028 0.111 Uiso 1 1 calc R . . C49 C 1.0924(8) 0.5896(5) 1.0554(13) 0.037(4) Uani 1 1 d . . . H49A H 1.0656 0.6096 1.0413 0.045 Uiso 1 1 calc R . . C50 C 1.1514(8) 0.5914(5) 1.0944(14) 0.041(4) Uani 1 1 d . . . H50A H 1.1723 0.6130 1.1140 0.050 Uiso 1 1 calc R . . C51 C 1.1262(11) 0.5331(3) 1.0731(17) 0.043(3) Uani 1 1 d D . . C52 C 1.1442(7) 0.4931(3) 1.0618(9) 0.043(4) Uani 1 1 d D . . H52A H 1.1909 0.4912 1.0713 0.052 Uiso 1 1 calc R . . C53 C 1.1287(8) 0.4758(4) 0.9623(11) 0.046(4) Uani 1 1 d D . . H53A H 1.1485 0.4901 0.9107 0.069 Uiso 1 1 calc R . . H53B H 1.0828 0.4755 0.9529 0.069 Uiso 1 1 calc R . . H53C H 1.1448 0.4509 0.9605 0.069 Uiso 1 1 calc R . . C54 C 1.1124(10) 0.4713(5) 1.1439(12) 0.070(6) Uani 1 1 d D . . H54A H 1.1210 0.4830 1.2062 0.106 Uiso 1 1 calc R . . H54B H 1.1293 0.4465 1.1447 0.106 Uiso 1 1 calc R . . H54C H 1.0668 0.4704 1.1329 0.106 Uiso 1 1 calc R . . C55 C 1.4062(8) 0.5187(6) 1.2228(19) 0.058(6) Uani 1 1 d . . . H55A H 1.4186 0.5429 1.2083 0.069 Uiso 1 1 calc R . . C56 C 1.4442(9) 0.4931(7) 1.2506(16) 0.069(7) Uani 1 1 d . . . H56A H 1.4884 0.4957 1.2593 0.083 Uiso 1 1 calc R . . C57 C 1.3480(7) 0.4709(4) 1.2411(14) 0.037(4) Uani 1 1 d D . . C58 C 1.2937(8) 0.4439(4) 1.2487(12) 0.056(6) Uani 1 1 d D . . H58A H 1.2542 0.4587 1.2473 0.068 Uiso 1 1 calc R . . C59 C 1.2885(11) 0.4172(6) 1.1627(17) 0.081(8) Uani 1 1 d D . . H59A H 1.2895 0.4308 1.1018 0.121 Uiso 1 1 calc R . . H59B H 1.2487 0.4038 1.1674 0.121 Uiso 1 1 calc R . . H59C H 1.3239 0.4001 1.1646 0.121 Uiso 1 1 calc R . . C60 C 1.2903(10) 0.4212(6) 1.3424(14) 0.067(7) Uani 1 1 d D . . H60A H 1.2933 0.4374 1.3986 0.100 Uiso 1 1 calc R . . H60B H 1.3252 0.4038 1.3436 0.100 Uiso 1 1 calc R . . H60C H 1.2501 0.4081 1.3444 0.100 Uiso 1 1 calc R . . C61 C 1.4315(8) 0.3247(5) 1.2869(16) 0.058(5) Uani 1 1 d . . . H61A H 1.3869 0.3268 1.2908 0.070 Uiso 1 1 calc R . . C62 C 1.4655(8) 0.2929(4) 1.2770(15) 0.047(4) Uani 1 1 d . . . H62A H 1.4476 0.2693 1.2748 0.057 Uiso 1 1 calc R . . C63 C 1.5319(6) 0.3379(4) 1.2829(13) 0.038(4) Uani 1 1 d D . . C64 C 1.5946(7) 0.3585(4) 1.2788(11) 0.047(4) Uani 1 1 d D . . H64A H 1.6288 0.3403 1.2910 0.056 Uiso 1 1 calc R . . C65 C 1.6006(10) 0.3879(5) 1.3583(18) 0.088(9) Uani 1 1 d D . . H65A H 1.5937 0.3769 1.4220 0.133 Uiso 1 1 calc R . . H65B H 1.5690 0.4069 1.3473 0.133 Uiso 1 1 calc R . . H65C H 1.6429 0.3986 1.3560 0.133 Uiso 1 1 calc R . . C66 C 1.6074(10) 0.3750(5) 1.1782(14) 0.084(8) Uani 1 1 d D . . H66A H 1.6034 0.3561 1.1287 0.126 Uiso 1 1 calc R . . H66B H 1.6502 0.3851 1.1765 0.126 Uiso 1 1 calc R . . H66C H 1.5767 0.3943 1.1653 0.126 Uiso 1 1 calc R . . C67 C 1.6888(8) 0.1983(4) 1.1772(15) 0.055(5) Uani 1 1 d . . . H67A H 1.6559 0.1817 1.1919 0.066 Uiso 1 1 calc R . . C68 C 1.7503(9) 0.1888(5) 1.1472(17) 0.060(5) Uani 1 1 d . . . H68A H 1.7662 0.1649 1.1377 0.072 Uiso 1 1 calc R . . C69 C 1.7459(11) 0.2480(4) 1.160(2) 0.060(7) Uani 1 1 d D . . C70 C 1.7668(13) 0.2873(5) 1.1447(16) 0.095(9) Uani 1 1 d DU . . H70A H 1.8097 0.2798 1.1223 0.114 Uiso 1 1 calc R . . C71 C 1.7925(16) 0.3037(7) 1.2383(18) 0.141(15) Uani 1 1 d D . . H71A H 1.7855 0.2868 1.2919 0.212 Uiso 1 1 calc R . . H71B H 1.7708 0.3266 1.2518 0.212 Uiso 1 1 calc R . . H71C H 1.8379 0.3083 1.2312 0.212 Uiso 1 1 calc R . . C72 C 1.7515(14) 0.3057(7) 1.0480(18) 0.111(10) Uani 1 1 d D . . H72A H 1.7231 0.2902 1.0103 0.166 Uiso 1 1 calc R . . H72B H 1.7906 0.3096 1.0116 0.166 Uiso 1 1 calc R . . H72C H 1.7310 0.3291 1.0602 0.166 Uiso 1 1 calc R . . C73 C 2.0073(10) 0.1917(5) 1.0076(16) 0.060(5) Uani 1 1 d . . . H73A H 1.9914 0.1679 1.0176 0.071 Uiso 1 1 calc R . . C74 C 2.0653(9) 0.1996(5) 0.9769(16) 0.057(5) Uani 1 1 d . . . H74A H 2.0968 0.1823 0.9609 0.069 Uiso 1 1 calc R . . C75 C 2.0155(9) 0.2495(3) 1.0029(16) 0.037(4) Uani 1 1 d D . . C76 C 2.0025(8) 0.2906(4) 1.0055(13) 0.056(5) Uani 1 1 d D . . H76A H 2.0431 0.3023 0.9858 0.067 Uiso 1 1 calc R . . C77 C 1.9546(12) 0.3019(6) 0.9276(18) 0.095(9) Uani 1 1 d D . . H77A H 1.9664 0.2910 0.8655 0.143 Uiso 1 1 calc R . . H77B H 1.9545 0.3284 0.9214 0.143 Uiso 1 1 calc R . . H77C H 1.9124 0.2935 0.9463 0.143 Uiso 1 1 calc R . . C78 C 1.9903(14) 0.3039(7) 1.1094(15) 0.114(11) Uani 1 1 d D . . H78A H 2.0246 0.2956 1.1516 0.171 Uiso 1 1 calc R . . H78B H 1.9501 0.2940 1.1326 0.171 Uiso 1 1 calc R . . H78C H 1.9884 0.3304 1.1101 0.171 Uiso 1 1 calc R . . C79 C 2.2928(10) 0.2953(5) 0.8850(17) 0.063(5) Uani 1 1 d . . . H79A H 2.3121 0.2722 0.8906 0.075 Uiso 1 1 calc R . . C80 C 2.3244(10) 0.3276(6) 0.8772(18) 0.067(6) Uani 1 1 d . . . H80A H 2.3688 0.3310 0.8803 0.081 Uiso 1 1 calc R . . C81 C 2.2205(6) 0.3389(4) 0.8763(15) 0.048(4) Uani 1 1 d D . . C82 C 2.1574(7) 0.3586(4) 0.8756(11) 0.048(4) Uani 1 1 d D . . H82A H 2.1248 0.3395 0.8635 0.057 Uiso 1 1 calc R . . C83 C 2.1432(9) 0.3737(5) 0.9772(13) 0.065(6) Uani 1 1 d D . . H83A H 2.1464 0.3541 1.0249 0.097 Uiso 1 1 calc R . . H83B H 2.1005 0.3839 0.9783 0.097 Uiso 1 1 calc R . . H83C H 2.1738 0.3928 0.9930 0.097 Uiso 1 1 calc R . . C84 C 2.1521(10) 0.3856(5) 0.7899(15) 0.070(6) Uani 1 1 d D . . H84A H 2.1619 0.3730 0.7292 0.105 Uiso 1 1 calc R . . H84B H 2.1820 0.4056 0.7993 0.105 Uiso 1 1 calc R . . H84C H 2.1091 0.3953 0.7869 0.105 Uiso 1 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 Ag1 0.0429(8) 0.0514(9) 0.0753(12) 0.0016(8) 0.0041(8) -0.0176(6) Ag2 0.0502(8) 0.0676(10) 0.0517(10) -0.0094(8) -0.0090(8) -0.0157(7) Ag3 0.0527(9) 0.0728(11) 0.0564(10) 0.0156(9) -0.0108(8) 0.0258(8) Ag4 0.0410(8) 0.0461(8) 0.0608(9) -0.0018(6) -0.0074(6) 0.0175(6) Ag5 0.0717(9) 0.0402(7) 0.0537(8) 0.0075(6) 0.0034(7) 0.0132(6) Ag6 0.0546(8) 0.1017(11) 0.0599(8) -0.0021(11) -0.0069(7) -0.0067(9) Ag7 0.0631(8) 0.0367(7) 0.0539(8) -0.0075(6) -0.0016(7) -0.0121(6) Ag8 0.0381(8) 0.0459(9) 0.0664(10) -0.0037(7) -0.0042(6) -0.0143(6) Ag9 0.0435(8) 0.0601(9) 0.0513(9) -0.0126(8) -0.0065(7) -0.0169(7) Ag10 0.0456(8) 0.0628(9) 0.0453(9) 0.0063(8) -0.0116(7) 0.0227(7) Ag11 0.0412(8) 0.0410(8) 0.0772(11) 0.0014(7) 0.0017(7) 0.0192(6) Ag12 0.0664(9) 0.0394(7) 0.0546(8) -0.0043(6) -0.0019(7) 0.0149(6) Ag13 0.0562(8) 0.0787(9) 0.0673(8) 0.0026(10) 0.0048(7) -0.0019(8) Ag14 0.0615(8) 0.0409(7) 0.0526(8) 0.0033(6) 0.0005(7) -0.0108(6) N1 0.031(7) 0.049(9) 0.048(9) -0.006(7) -0.003(7) -0.011(7) N2 0.044(9) 0.033(7) 0.052(9) -0.004(7) 0.003(7) -0.012(6) N3 0.042(8) 0.047(9) 0.034(8) 0.005(7) -0.008(7) -0.002(7) N4 0.082(13) 0.039(9) 0.055(11) 0.011(8) -0.017(10) 0.005(9) N5 0.053(9) 0.080(12) 0.027(8) -0.012(8) -0.001(7) -0.020(8) N6 0.023(7) 0.077(12) 0.051(10) -0.026(8) -0.011(7) 0.008(8) N7 0.045(9) 0.046(9) 0.062(10) -0.003(7) 0.008(7) 0.014(7) N8 0.064(10) 0.028(7) 0.059(9) 0.004(6) 0.024(8) -0.004(6) N9 0.071(11) 0.058(9) 0.044(9) 0.005(8) 0.006(8) 0.000(8) N10 0.067(11) 0.076(13) 0.056(11) 0.026(9) -0.032(9) -0.014(9) N11 0.057(9) 0.047(9) 0.050(9) 0.000(7) -0.007(8) 0.003(7) N12 0.077(11) 0.030(7) 0.061(10) 0.002(7) 0.015(9) 0.000(7) N13 0.071(10) 0.030(7) 0.040(8) 0.004(6) 0.001(7) 0.008(6) N14 0.030(7) 0.033(7) 0.062(9) -0.005(7) 0.002(7) -0.007(6) N15 0.033(7) 0.030(7) 0.059(10) -0.015(7) -0.005(7) -0.006(6) N16 0.041(8) 0.054(9) 0.046(9) -0.007(8) -0.012(7) -0.027(7) N17 0.025(7) 0.053(9) 0.023(6) 0.001(6) -0.005(5) -0.010(6) N18 0.055(10) 0.041(9) 0.045(9) 0.003(7) -0.014(7) 0.004(7) N19 0.037(8) 0.059(10) 0.044(9) -0.010(8) -0.005(7) -0.009(7) N20 0.035(8) 0.066(11) 0.045(9) -0.019(8) -0.007(7) 0.009(8) N21 0.037(8) 0.065(10) 0.073(11) 0.005(9) 0.006(8) 0.010(7) N22 0.074(10) 0.032(7) 0.043(8) 0.008(6) -0.012(7) -0.007(7) N23 0.086(12) 0.044(8) 0.061(11) -0.011(8) -0.019(9) 0.009(9) N24 0.056(9) 0.033(7) 0.051(9) -0.001(6) 0.007(7) 0.003(7) N25 0.095(13) 0.049(9) 0.058(11) 0.005(8) -0.001(10) -0.002(9) N26 0.079(12) 0.048(9) 0.042(8) -0.008(7) -0.009(8) 0.013(8) N27 0.059(9) 0.039(8) 0.050(9) -0.006(7) -0.005(8) 0.005(7) N28 0.039(8) 0.041(8) 0.082(12) -0.008(8) 0.021(8) -0.009(7) C1 0.036(9) 0.048(11) 0.072(14) 0.017(10) 0.013(9) 0.003(8) C2 0.059(12) 0.036(9) 0.045(10) 0.019(8) -0.008(9) -0.008(8) C3 0.038(10) 0.060(12) 0.052(12) 0.011(10) 0.006(9) -0.003(9) C4 0.038(9) 0.035(9) 0.041(9) 0.017(7) -0.002(7) -0.013(7) C5 0.058(14) 0.071(15) 0.083(18) 0.017(13) 0.018(12) 0.027(11) C6 0.096(17) 0.049(11) 0.064(14) 0.018(10) 0.019(13) -0.009(11) C7 0.040(10) 0.046(13) 0.061(13) 0.009(10) -0.018(10) 0.002(8) C8 0.074(14) 0.039(12) 0.072(16) 0.006(10) -0.002(13) -0.018(10) C9 0.067(10) 0.038(7) 0.033(8) -0.014(9) 0.000(7) 0.001(11) C10 0.28(4) 0.033(9) 0.072(14) -0.024(13) -0.052(19) 0.02(2) C11 0.101(19) 0.034(10) 0.20(4) -0.018(16) 0.08(2) -0.009(11) C12 0.084(17) 0.060(14) 0.14(3) 0.056(15) 0.040(17) -0.002(11) C13 0.049(11) 0.079(14) 0.040(10) 0.007(10) 0.011(9) 0.002(10) C14 0.035(10) 0.070(14) 0.074(15) -0.017(12) -0.011(10) 0.028(10) C15 0.039(9) 0.031(8) 0.033(8) 0.002(7) -0.012(7) 0.025(7) C16 0.033(9) 0.065(13) 0.060(12) 0.020(10) -0.022(9) 0.005(8) C17 0.062(15) 0.091(18) 0.054(14) 0.021(12) -0.002(11) 0.015(13) C18 0.076(17) 0.15(3) 0.09(2) -0.06(2) -0.035(16) -0.037(17) C19 0.053(11) 0.049(11) 0.084(15) -0.012(11) 0.004(11) -0.013(9) C20 0.086(14) 0.034(9) 0.048(10) -0.006(8) 0.006(10) -0.015(9) C21 0.036(9) 0.045(9) 0.043(9) 0.006(7) 0.003(7) 0.018(7) C22 0.040(10) 0.045(10) 0.066(12) 0.029(10) 0.011(9) 0.000(8) C23 0.076(14) 0.041(11) 0.103(18) 0.037(12) 0.020(13) 0.015(10) C24 0.059(12) 0.052(11) 0.084(15) -0.015(11) -0.007(11) -0.015(9) C25 0.062(11) 0.029(8) 0.077(13) -0.005(9) 0.009(10) -0.003(8) C26 0.078(14) 0.035(9) 0.060(13) 0.001(9) 0.004(11) -0.002(9) C27 0.062(14) 0.060(13) 0.041(12) -0.001(8) 0.014(11) -0.017(9) C28 0.089(10) 0.072(10) 0.075(10) 0.007(8) 0.009(8) -0.026(8) C29 0.131(13) 0.111(13) 0.121(14) 0.002(9) 0.010(9) -0.021(9) C30 0.27(4) 0.09(2) 0.12(3) -0.027(19) 0.11(3) -0.09(2) C31 0.046(10) 0.036(9) 0.083(15) 0.000(9) -0.006(10) -0.010(7) C32 0.062(10) 0.035(8) 0.047(9) -0.001(7) -0.021(8) -0.008(8) C33 0.035(10) 0.055(11) 0.054(13) 0.005(9) -0.007(9) -0.012(8) C34 0.097(17) 0.044(11) 0.081(17) -0.013(11) 0.020(14) 0.028(11) C35 0.27(4) 0.074(17) 0.11(2) -0.008(16) 0.10(3) 0.06(2) C36 0.19(3) 0.062(15) 0.11(3) 0.001(16) 0.03(2) 0.045(18) C37 0.053(10) 0.048(10) 0.051(10) 0.007(8) 0.002(9) 0.023(8) C38 0.039(9) 0.060(11) 0.052(11) 0.005(9) -0.010(8) 0.000(8) C39 0.046(9) 0.033(8) 0.041(9) -0.011(7) -0.003(7) -0.012(7) C40 0.035(9) 0.040(9) 0.058(11) -0.010(9) 0.005(8) -0.006(7) C41 0.096(16) 0.045(11) 0.078(15) -0.027(11) -0.034(13) 0.015(10) C42 0.055(12) 0.068(14) 0.088(17) -0.034(13) 0.007(12) 0.003(10) C43 0.032(8) 0.041(9) 0.041(10) 0.007(7) 0.000(7) 0.015(7) C44 0.057(11) 0.035(9) 0.040(9) 0.005(8) 0.010(9) -0.009(8) C45 0.039(10) 0.055(11) 0.028(8) -0.016(7) -0.011(7) -0.015(8) C46 0.049(11) 0.041(10) 0.050(11) -0.003(8) 0.008(9) -0.006(8) C47 0.053(13) 0.069(15) 0.073(15) -0.015(12) 0.010(11) 0.005(11) C48 0.079(16) 0.069(14) 0.075(16) 0.023(12) -0.004(13) -0.019(12) C49 0.034(9) 0.038(10) 0.040(10) -0.006(8) -0.016(8) -0.009(7) C50 0.042(10) 0.042(11) 0.040(10) -0.004(8) -0.009(8) -0.012(8) C51 0.064(9) 0.036(7) 0.028(7) -0.003(9) -0.018(7) 0.006(11) C52 0.051(10) 0.042(8) 0.037(9) -0.002(7) 0.009(7) 0.004(7) C53 0.061(11) 0.031(8) 0.047(10) -0.012(7) -0.007(8) -0.001(7) C54 0.107(17) 0.070(14) 0.034(9) 0.008(9) 0.022(10) -0.006(12) C55 0.030(9) 0.061(12) 0.083(15) 0.024(12) -0.016(10) -0.002(8) C56 0.038(11) 0.12(2) 0.054(13) -0.023(13) -0.013(10) 0.040(12) C57 0.034(9) 0.035(9) 0.042(10) -0.011(7) -0.014(8) 0.022(7) C58 0.048(11) 0.057(12) 0.064(14) -0.010(10) -0.030(10) 0.009(9) C59 0.062(13) 0.104(18) 0.076(16) -0.060(15) -0.002(12) -0.031(12) C60 0.048(12) 0.096(18) 0.057(13) 0.013(12) 0.005(10) 0.036(12) C61 0.035(9) 0.075(13) 0.065(12) 0.021(11) 0.007(9) -0.009(9) C62 0.040(9) 0.034(8) 0.067(12) 0.013(8) -0.014(9) -0.004(7) C63 0.031(8) 0.036(8) 0.047(9) -0.004(7) -0.003(7) -0.001(6) C64 0.051(10) 0.036(9) 0.055(11) -0.007(8) -0.013(9) -0.001(7) C65 0.078(15) 0.032(11) 0.15(3) -0.045(14) -0.051(16) 0.020(10) C66 0.106(18) 0.045(11) 0.101(19) 0.007(12) 0.034(15) -0.034(11) C67 0.063(11) 0.031(9) 0.072(13) -0.006(9) 0.010(10) 0.001(8) C68 0.068(12) 0.036(10) 0.076(14) -0.010(9) 0.016(11) 0.015(8) C69 0.061(14) 0.046(13) 0.072(17) 0.014(9) -0.027(13) -0.020(9) C70 0.108(12) 0.082(11) 0.094(12) -0.002(9) -0.012(9) -0.028(9) C71 0.23(4) 0.086(18) 0.11(2) 0.030(17) -0.10(3) -0.06(2) C72 0.16(3) 0.071(17) 0.10(2) 0.028(16) 0.00(2) -0.044(18) C73 0.068(13) 0.045(11) 0.066(13) 0.000(10) -0.012(11) 0.000(9) C74 0.063(12) 0.040(9) 0.069(12) -0.004(9) 0.014(10) -0.010(8) C75 0.039(10) 0.040(11) 0.033(9) 0.001(6) 0.002(8) -0.009(6) C76 0.045(10) 0.038(9) 0.085(15) 0.014(10) -0.013(10) 0.003(7) C77 0.14(2) 0.055(12) 0.091(18) 0.010(13) -0.052(17) 0.030(14) C78 0.14(2) 0.080(18) 0.12(3) -0.022(18) -0.06(2) 0.036(17) C79 0.074(14) 0.051(11) 0.063(13) -0.016(10) 0.010(11) 0.013(10) C80 0.059(12) 0.066(13) 0.076(14) -0.022(11) 0.014(12) -0.008(10) C81 0.049(10) 0.035(9) 0.059(11) -0.002(8) -0.007(9) -0.012(8) C82 0.046(10) 0.029(8) 0.068(12) 0.012(8) -0.009(9) -0.001(7) C83 0.059(12) 0.047(10) 0.088(16) -0.020(11) 0.009(11) 0.009(9) C84 0.070(13) 0.059(13) 0.081(16) 0.029(12) -0.011(12) 0.005(11) _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 N1 2.062(14) . ? Ag1 N28 2.094(14) 1_254 ? Ag2 N3 2.060(15) . ? Ag2 N2 2.102(14) . ? Ag3 N5 2.063(17) . ? Ag3 N4 2.095(17) . ? Ag4 N6 2.095(17) . ? Ag4 N7 2.104(15) . ? Ag4 Ag9 3.370(2) 2_664 ? Ag5 N8 2.078(15) . ? Ag5 N9 2.094(17) . ? Ag5 Ag12 3.099(2) 3_354 ? Ag6 N11 2.042(16) . ? Ag6 N10 2.143(17) . ? Ag7 N12 2.061(16) . ? Ag7 N13 2.076(14) . ? Ag7 Ag14 3.093(2) 3_355 ? Ag8 N15 2.089(13) . ? Ag8 N14 2.109(12) . ? Ag8 Ag10 3.326(2) 2_764 ? Ag9 N17 2.092(13) . ? Ag9 N16 2.112(13) . ? Ag9 Ag4 3.370(2) 2_665 ? Ag10 N19 2.080(15) . ? Ag10 N18 2.106(15) . ? Ag10 Ag8 3.326(2) 2_765 ? Ag11 N21 2.058(15) . ? Ag11 N20 2.072(16) . ? Ag12 N23 2.072(17) . ? Ag12 N22 2.073(15) . ? Ag12 Ag5 3.099(2) 3_656 ? Ag13 N24 2.092(15) . ? Ag13 N25 2.13(2) . ? Ag14 N27 2.071(15) . ? Ag14 N26 2.076(18) . ? Ag14 Ag7 3.093(2) 3_655 ? N1 C3 1.32(2) . ? N1 C1 1.40(2) . ? N2 C2 1.29(2) . ? N2 C3 1.42(2) . ? N3 C9 1.31(2) . ? N3 C7 1.36(2) . ? N4 C9 1.36(3) . ? N4 C8 1.41(2) . ? N5 C15 1.29(2) . ? N5 C13 1.46(2) . ? N6 C14 1.37(3) . ? N6 C15 1.38(2) . ? N7 C21 1.334(18) . ? N7 C19 1.40(2) . ? N8 C21 1.351(19) . ? N8 C20 1.36(2) . ? N9 C27 1.31(3) . ? N9 C25 1.36(2) . ? N10 C26 1.31(2) . ? N10 C27 1.38(3) . ? N11 C33 1.30(2) . ? N11 C31 1.43(2) . ? N12 C32 1.384(19) . ? N12 C33 1.39(2) . ? N13 C39 1.350(18) . ? N13 C37 1.38(2) . ? N14 C39 1.328(17) . ? N14 C38 1.38(2) . ? N15 C45 1.32(2) . ? N15 C43 1.395(19) . ? N16 C44 1.29(2) . ? N16 C45 1.42(2) . ? N17 C51 1.30(2) . ? N17 C49 1.40(2) . ? N18 C51 1.37(2) . ? N18 C50 1.41(2) . ? N19 C57 1.28(2) . ? N19 C55 1.43(2) . ? N20 C56 1.37(3) . ? N20 C57 1.37(2) . ? N21 C63 1.295(18) . ? N21 C61 1.41(2) . ? N22 C62 1.34(2) . ? N22 C63 1.363(18) . ? N23 C69 1.37(3) . ? N23 C67 1.41(2) . ? N24 C69 1.28(3) . ? N24 C68 1.40(2) . ? N25 C75 1.32(2) . ? N25 C73 1.33(2) . ? N26 C75 1.34(2) . ? N26 C74 1.34(2) . ? N27 C81 1.350(19) . ? N27 C79 1.40(2) . ? N28 C81 1.333(19) . ? N28 C80 1.42(2) . ? N28 Ag1 2.094(14) 1_856 ? C1 C2 1.39(3) . ? C1 H1A 0.9300 . ? C2 H2A 0.9300 . ? C3 C4 1.493(9) . ? C4 C6 1.521(9) . ? C4 C5 1.525(10) . ? C4 H4A 0.9800 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? C7 C8 1.32(2) . ? C7 H7A 0.9300 . ? C8 H8A 0.9300 . ? C9 C10 1.490(9) . ? C10 C12 1.499(10) . ? C10 C11 1.502(10) . ? C10 H10A 0.9800 . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 C14 1.28(3) . ? C13 H13A 0.9300 . ? C14 H14A 0.9300 . ? C15 C16 1.492(9) . ? C16 C18 1.516(10) . ? C16 C17 1.517(10) . ? C16 H16A 0.9800 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 C20 1.36(3) . ? C19 H19A 0.9300 . ? C20 H20A 0.9300 . ? C21 C22 1.487(9) . ? C22 C24 1.515(10) . ? C22 C23 1.522(9) . ? C22 H22A 0.9800 . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? C25 C26 1.40(3) . ? C25 H25A 0.9300 . ? C26 H26A 0.9300 . ? C27 C28 1.497(10) . ? C28 C29 1.499(10) . ? C28 C30 1.504(10) . ? C28 H28A 0.9800 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? C30 H30A 0.9600 . ? C30 H30B 0.9600 . ? C30 H30C 0.9600 . ? C31 C32 1.39(2) . ? C31 H31A 0.9300 . ? C32 H32A 0.9300 . ? C33 C34 1.492(10) . ? C34 C36 1.501(10) . ? C34 C35 1.505(10) . ? C34 H34A 0.9800 . ? C35 H35A 0.9600 . ? C35 H35B 0.9600 . ? C35 H35C 0.9600 . ? C36 H36A 0.9600 . ? C36 H36B 0.9600 . ? C36 H36C 0.9600 . ? C37 C38 1.30(2) . ? C37 H37A 0.9300 . ? C38 H38A 0.9300 . ? C39 C40 1.490(9) . ? C40 C41 1.514(10) . ? C40 C42 1.514(10) . ? C40 H40A 0.9800 . ? C41 H41A 0.9600 . ? C41 H41B 0.9600 . ? C41 H41C 0.9600 . ? C42 H42A 0.9600 . ? C42 H42B 0.9600 . ? C42 H42C 0.9600 . ? C43 C44 1.42(2) . ? C43 H43A 0.9300 . ? C44 H44A 0.9300 . ? C45 C46 1.490(9) . ? C46 C47 1.518(10) . ? C46 C48 1.526(10) . ? C46 H46A 0.9800 . ? C47 H47A 0.9600 . ? C47 H47B 0.9600 . ? C47 H47C 0.9600 . ? C48 H48A 0.9600 . ? C48 H48B 0.9600 . ? C48 H48C 0.9600 . ? C49 C50 1.336(18) . ? C49 H49A 0.9300 . ? C50 H50A 0.9300 . ? C51 C52 1.501(9) . ? C52 C54 1.513(9) . ? C52 C53 1.518(9) . ? C52 H52A 0.9800 . ? C53 H53A 0.9600 . ? C53 H53B 0.9600 . ? C53 H53C 0.9600 . ? C54 H54A 0.9600 . ? C54 H54B 0.9600 . ? C54 H54C 0.9600 . ? C55 C56 1.27(3) . ? C55 H55A 0.9300 . ? C56 H56A 0.9300 . ? C57 C58 1.493(9) . ? C58 C60 1.510(10) . ? C58 C59 1.514(10) . ? C58 H58A 0.9800 . ? C59 H59A 0.9600 . ? C59 H59B 0.9600 . ? C59 H59C 0.9600 . ? C60 H60A 0.9600 . ? C60 H60B 0.9600 . ? C60 H60C 0.9600 . ? C61 C62 1.35(2) . ? C61 H61A 0.9300 . ? C62 H62A 0.9300 . ? C63 C64 1.500(9) . ? C64 C66 1.510(10) . ? C64 C65 1.518(10) . ? C64 H64A 0.9800 . ? C65 H65A 0.9600 . ? C65 H65B 0.9600 . ? C65 H65C 0.9600 . ? C66 H66A 0.9600 . ? C66 H66B 0.9600 . ? C66 H66C 0.9600 . ? C67 C68 1.38(2) . ? C67 H67A 0.9300 . ? C68 H68A 0.9300 . ? C69 C70 1.498(10) . ? C70 C71 1.497(10) . ? C70 C72 1.502(10) . ? C70 H70A 0.9800 . ? C71 H71A 0.9600 . ? C71 H71B 0.9600 . ? C71 H71C 0.9600 . ? C72 H72A 0.9600 . ? C72 H72B 0.9600 . ? C72 H72C 0.9600 . ? C73 C74 1.30(3) . ? C73 H73A 0.9300 . ? C74 H74A 0.9300 . ? C75 C76 1.507(9) . ? C76 C77 1.504(10) . ? C76 C78 1.506(10) . ? C76 H76A 0.9800 . ? C77 H77A 0.9600 . ? C77 H77B 0.9600 . ? C77 H77C 0.9600 . ? C78 H78A 0.9600 . ? C78 H78B 0.9600 . ? C78 H78C 0.9600 . ? C79 C80 1.34(3) . ? C79 H79A 0.9300 . ? C80 H80A 0.9300 . ? C81 C82 1.490(9) . ? C82 C83 1.508(10) . ? C82 C84 1.519(10) . ? C82 H82A 0.9800 . ? C83 H83A 0.9600 . ? C83 H83B 0.9600 . ? C83 H83C 0.9600 . ? C84 H84A 0.9600 . ? C84 H84B 0.9600 . ? C84 H84C 0.9600 . ? 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 N1 Ag1 N28 170.0(7) . 1_254 ? N3 Ag2 N2 175.8(6) . . ? N5 Ag3 N4 173.8(7) . . ? N6 Ag4 N7 173.1(6) . . ? N6 Ag4 Ag9 80.4(4) . 2_664 ? N7 Ag4 Ag9 106.2(5) . 2_664 ? N8 Ag5 N9 177.8(6) . . ? N8 Ag5 Ag12 90.5(4) . 3_354 ? N9 Ag5 Ag12 89.7(5) . 3_354 ? N11 Ag6 N10 176.8(6) . . ? N12 Ag7 N13 178.6(6) . . ? N12 Ag7 Ag14 92.8(5) . 3_355 ? N13 Ag7 Ag14 88.1(4) . 3_355 ? N15 Ag8 N14 172.5(6) . . ? N15 Ag8 Ag10 81.4(5) . 2_764 ? N14 Ag8 Ag10 105.6(4) . 2_764 ? N17 Ag9 N16 178.5(6) . . ? N17 Ag9 Ag4 72.5(4) . 2_665 ? N16 Ag9 Ag4 107.3(5) . 2_665 ? N19 Ag10 N18 170.6(6) . . ? N19 Ag10 Ag8 112.7(5) . 2_765 ? N18 Ag10 Ag8 75.7(5) . 2_765 ? N21 Ag11 N20 170.3(7) . . ? N23 Ag12 N22 174.1(6) . . ? N23 Ag12 Ag5 92.9(5) . 3_656 ? N22 Ag12 Ag5 91.5(4) . 3_656 ? N24 Ag13 N25 176.8(5) . . ? N27 Ag14 N26 175.0(6) . . ? N27 Ag14 Ag7 93.9(4) . 3_655 ? N26 Ag14 Ag7 88.3(4) . 3_655 ? C3 N1 C1 107.2(15) . . ? C3 N1 Ag1 127.2(12) . . ? C1 N1 Ag1 125.6(12) . . ? C2 N2 C3 107.7(15) . . ? C2 N2 Ag2 127.5(13) . . ? C3 N2 Ag2 124.3(12) . . ? C9 N3 C7 105.3(15) . . ? C9 N3 Ag2 123.2(13) . . ? C7 N3 Ag2 131.1(13) . . ? C9 N4 C8 103.3(16) . . ? C9 N4 Ag3 124.5(13) . . ? C8 N4 Ag3 132.1(15) . . ? C15 N5 C13 102.2(16) . . ? C15 N5 Ag3 130.9(12) . . ? C13 N5 Ag3 126.9(14) . . ? C14 N6 C15 103.1(15) . . ? C14 N6 Ag4 128.8(12) . . ? C15 N6 Ag4 128.0(12) . . ? C21 N7 C19 106.8(14) . . ? C21 N7 Ag4 133.0(12) . . ? C19 N7 Ag4 120.2(12) . . ? C21 N8 C20 105.2(14) . . ? C21 N8 Ag5 126.6(11) . . ? C20 N8 Ag5 127.7(11) . . ? C27 N9 C25 108.0(17) . . ? C27 N9 Ag5 128.2(14) . . ? C25 N9 Ag5 123.5(14) . . ? C26 N10 C27 108.9(17) . . ? C26 N10 Ag6 126.3(15) . . ? C27 N10 Ag6 124.6(15) . . ? C33 N11 C31 102.6(14) . . ? C33 N11 Ag6 131.6(13) . . ? C31 N11 Ag6 125.6(11) . . ? C32 N12 C33 103.9(14) . . ? C32 N12 Ag7 125.3(13) . . ? C33 N12 Ag7 130.7(11) . . ? C39 N13 C37 104.0(14) . . ? C39 N13 Ag7 128.5(11) . . ? C37 N13 Ag7 127.5(11) . . ? C39 N14 C38 104.2(12) . . ? C39 N14 Ag8 132.7(10) . . ? C38 N14 Ag8 122.9(11) . . ? C45 N15 C43 107.5(14) . . ? C45 N15 Ag8 128.4(11) . . ? C43 N15 Ag8 123.9(11) . . ? C44 N16 C45 108.4(13) . . ? C44 N16 Ag9 126.9(13) . . ? C45 N16 Ag9 124.2(12) . . ? C51 N17 C49 107.2(13) . . ? C51 N17 Ag9 124.4(12) . . ? C49 N17 Ag9 128.1(11) . . ? C51 N18 C50 103.3(14) . . ? C51 N18 Ag10 122.6(12) . . ? C50 N18 Ag10 132.7(12) . . ? C57 N19 C55 102.8(15) . . ? C57 N19 Ag10 129.8(11) . . ? C55 N19 Ag10 127.1(13) . . ? C56 N20 C57 103.4(16) . . ? C56 N20 Ag11 127.1(12) . . ? C57 N20 Ag11 128.2(13) . . ? C63 N21 C61 104.2(14) . . ? C63 N21 Ag11 134.1(12) . . ? C61 N21 Ag11 121.3(11) . . ? C62 N22 C63 104.1(14) . . ? C62 N22 Ag12 129.7(11) . . ? C63 N22 Ag12 125.6(11) . . ? C69 N23 C67 102.3(15) . . ? C69 N23 Ag12 132.0(14) . . ? C67 N23 Ag12 125.1(14) . . ? C69 N24 C68 106.0(15) . . ? C69 N24 Ag13 130.9(13) . . ? C68 N24 Ag13 123.1(11) . . ? C75 N25 C73 104.7(17) . . ? C75 N25 Ag13 131.6(13) . . ? C73 N25 Ag13 123.5(14) . . ? C75 N26 C74 103.7(16) . . ? C75 N26 Ag14 127.2(11) . . ? C74 N26 Ag14 129.1(13) . . ? C81 N27 C79 104.4(14) . . ? C81 N27 Ag14 123.8(11) . . ? C79 N27 Ag14 129.2(12) . . ? C81 N28 C80 106.0(14) . . ? C81 N28 Ag1 130.5(11) . 1_856 ? C80 N28 Ag1 119.8(12) . 1_856 ? C2 C1 N1 106.4(15) . . ? C2 C1 H1A 126.8 . . ? N1 C1 H1A 126.8 . . ? N2 C2 C1 109.6(16) . . ? N2 C2 H2A 125.2 . . ? C1 C2 H2A 125.2 . . ? N1 C3 N2 109.0(14) . . ? N1 C3 C4 126.9(17) . . ? N2 C3 C4 123.7(16) . . ? C3 C4 C6 108.5(15) . . ? C3 C4 C5 107.4(15) . . ? C6 C4 C5 114.8(15) . . ? C3 C4 H4A 108.7 . . ? C6 C4 H4A 108.7 . . ? C5 C4 H4A 108.7 . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C4 C6 H6A 109.5 . . ? C4 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C4 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C8 C7 N3 110.5(19) . . ? C8 C7 H7A 124.8 . . ? N3 C7 H7A 124.8 . . ? C7 C8 N4 107(2) . . ? C7 C8 H8A 126.3 . . ? N4 C8 H8A 126.3 . . ? N3 C9 N4 112.8(11) . . ? N3 C9 C10 127(2) . . ? N4 C9 C10 118(2) . . ? C9 C10 C12 106.8(17) . . ? C9 C10 C11 122.7(17) . . ? C12 C10 C11 130.2(15) . . ? C9 C10 H10A 91.8 . . ? C12 C10 H10A 91.8 . . ? C11 C10 H10A 91.8 . . ? C10 C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C14 C13 N5 108.9(19) . . ? C14 C13 H13A 125.5 . . ? N5 C13 H13A 125.5 . . ? C13 C14 N6 110.8(18) . . ? C13 C14 H14A 124.6 . . ? N6 C14 H14A 124.6 . . ? N5 C15 N6 114.8(15) . . ? N5 C15 C16 122.6(14) . . ? N6 C15 C16 122.6(14) . . ? C15 C16 C18 115.9(16) . . ? C15 C16 C17 119.8(16) . . ? C18 C16 C17 105.3(18) . . ? C15 C16 H16A 104.8 . . ? C18 C16 H16A 104.8 . . ? C17 C16 H16A 104.8 . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C20 C19 N7 105.5(16) . . ? C20 C19 H19A 127.2 . . ? N7 C19 H19A 127.2 . . ? N8 C20 C19 110.9(15) . . ? N8 C20 H20A 124.6 . . ? C19 C20 H20A 124.6 . . ? N7 C21 N8 111.6(13) . . ? N7 C21 C22 126.2(14) . . ? N8 C21 C22 122.2(13) . . ? C21 C22 C24 111.5(13) . . ? C21 C22 C23 113.8(14) . . ? C24 C22 C23 109.4(16) . . ? C21 C22 H22A 107.3 . . ? C24 C22 H22A 107.3 . . ? C23 C22 H22A 107.3 . . ? C22 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? C22 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? C22 C24 H24A 109.5 . . ? C22 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? C22 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? N9 C25 C26 107.3(16) . . ? N9 C25 H25A 126.3 . . ? C26 C25 H25A 126.3 . . ? N10 C26 C25 107.0(16) . . ? N10 C26 H26A 126.5 . . ? C25 C26 H26A 126.5 . . ? N9 C27 N10 108.8(16) . . ? N9 C27 C28 125(2) . . ? N10 C27 C28 127(2) . . ? C27 C28 C29 115.5(19) . . ? C27 C28 C30 116.1(19) . . ? C29 C28 C30 128.1(19) . . ? C27 C28 H28A 91.9 . . ? C29 C28 H28A 91.9 . . ? C30 C28 H28A 91.9 . . ? C28 C29 H29A 109.5 . . ? C28 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C28 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? C28 C30 H30A 109.5 . . ? C28 C30 H30B 109.5 . . ? H30A C30 H30B 109.5 . . ? C28 C30 H30C 109.5 . . ? H30A C30 H30C 109.5 . . ? H30B C30 H30C 109.5 . . ? C32 C31 N11 109.5(14) . . ? C32 C31 H31A 125.3 . . ? N11 C31 H31A 125.3 . . ? N12 C32 C31 107.5(15) . . ? N12 C32 H32A 126.3 . . ? C31 C32 H32A 126.3 . . ? N11 C33 N12 116.3(15) . . ? N11 C33 C34 115.9(18) . . ? N12 C33 C34 127.8(18) . . ? C33 C34 C36 111.1(17) . . ? C33 C34 C35 113.1(18) . . ? C36 C34 C35 119(2) . . ? C33 C34 H34A 103.8 . . ? C36 C34 H34A 103.8 . . ? C35 C34 H34A 103.8 . . ? C34 C35 H35A 109.5 . . ? C34 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C34 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C34 C36 H36A 109.5 . . ? C34 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C34 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C38 C37 N13 109.4(15) . . ? C38 C37 H37A 125.3 . . ? N13 C37 H37A 125.3 . . ? C37 C38 N14 109.7(15) . . ? C37 C38 H38A 125.2 . . ? N14 C38 H38A 125.2 . . ? N14 C39 N13 112.6(12) . . ? N14 C39 C40 124.8(12) . . ? N13 C39 C40 122.4(13) . . ? C39 C40 C41 113.1(14) . . ? C39 C40 C42 114.3(13) . . ? C41 C40 C42 114.5(15) . . ? C39 C40 H40A 104.5 . . ? C41 C40 H40A 104.5 . . ? C42 C40 H40A 104.5 . . ? C40 C41 H41A 109.5 . . ? C40 C41 H41B 109.5 . . ? H41A C41 H41B 109.5 . . ? C40 C41 H41C 109.5 . . ? H41A C41 H41C 109.5 . . ? H41B C41 H41C 109.5 . . ? C40 C42 H42A 109.5 . . ? C40 C42 H42B 109.5 . . ? H42A C42 H42B 109.5 . . ? C40 C42 H42C 109.5 . . ? H42A C42 H42C 109.5 . . ? H42B C42 H42C 109.5 . . ? N15 C43 C44 106.5(14) . . ? N15 C43 H43A 126.7 . . ? C44 C43 H43A 126.7 . . ? N16 C44 C43 108.4(15) . . ? N16 C44 H44A 125.8 . . ? C43 C44 H44A 125.8 . . ? N15 C45 N16 109.1(14) . . ? N15 C45 C46 127.7(16) . . ? N16 C45 C46 122.6(14) . . ? C45 C46 C47 108.5(15) . . ? C45 C46 C48 107.6(16) . . ? C47 C46 C48 116.4(16) . . ? C45 C46 H46A 108.0 . . ? C47 C46 H46A 108.0 . . ? C48 C46 H46A 108.0 . . ? C46 C47 H47A 109.5 . . ? C46 C47 H47B 109.5 . . ? H47A C47 H47B 109.5 . . ? C46 C47 H47C 109.5 . . ? H47A C47 H47C 109.5 . . ? H47B C47 H47C 109.5 . . ? C46 C48 H48A 109.5 . . ? C46 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C46 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? C50 C49 N17 107.7(17) . . ? C50 C49 H49A 126.1 . . ? N17 C49 H49A 126.1 . . ? C49 C50 N18 108.9(17) . . ? C49 C50 H50A 125.5 . . ? N18 C50 H50A 125.5 . . ? N17 C51 N18 112.3(11) . . ? N17 C51 C52 131.9(17) . . ? N18 C51 C52 113.3(17) . . ? C51 C52 C54 108.5(14) . . ? C51 C52 C53 115.7(14) . . ? C54 C52 C53 110.1(14) . . ? C51 C52 H52A 107.4 . . ? C54 C52 H52A 107.4 . . ? C53 C52 H52A 107.4 . . ? C52 C53 H53A 109.5 . . ? C52 C53 H53B 109.5 . . ? H53A C53 H53B 109.5 . . ? C52 C53 H53C 109.5 . . ? H53A C53 H53C 109.5 . . ? H53B C53 H53C 109.5 . . ? C52 C54 H54A 109.5 . . ? C52 C54 H54B 109.5 . . ? H54A C54 H54B 109.5 . . ? C52 C54 H54C 109.5 . . ? H54A C54 H54C 109.5 . . ? H54B C54 H54C 109.5 . . ? C56 C55 N19 110.4(19) . . ? C56 C55 H55A 124.8 . . ? N19 C55 H55A 124.8 . . ? C55 C56 N20 109.5(18) . . ? C55 C56 H56A 125.3 . . ? N20 C56 H56A 125.3 . . ? N19 C57 N20 113.8(15) . . ? N19 C57 C58 124.8(14) . . ? N20 C57 C58 121.3(15) . . ? C57 C58 C60 116.6(16) . . ? C57 C58 C59 114.7(15) . . ? C60 C58 C59 107.2(17) . . ? C57 C58 H58A 105.8 . . ? C60 C58 H58A 105.8 . . ? C59 C58 H58A 105.8 . . ? C58 C59 H59A 109.5 . . ? C58 C59 H59B 109.5 . . ? H59A C59 H59B 109.5 . . ? C58 C59 H59C 109.5 . . ? H59A C59 H59C 109.5 . . ? H59B C59 H59C 109.5 . . ? C58 C60 H60A 109.5 . . ? C58 C60 H60B 109.5 . . ? H60A C60 H60B 109.5 . . ? C58 C60 H60C 109.5 . . ? H60A C60 H60C 109.5 . . ? H60B C60 H60C 109.5 . . ? C62 C61 N21 107.3(15) . . ? C62 C61 H61A 126.4 . . ? N21 C61 H61A 126.4 . . ? N22 C62 C61 110.0(15) . . ? N22 C62 H62A 125.0 . . ? C61 C62 H62A 125.0 . . ? N21 C63 N22 114.3(13) . . ? N21 C63 C64 123.6(14) . . ? N22 C63 C64 121.9(13) . . ? C63 C64 C66 112.4(13) . . ? C63 C64 C65 113.0(14) . . ? C66 C64 C65 110.4(16) . . ? C63 C64 H64A 106.9 . . ? C66 C64 H64A 106.9 . . ? C65 C64 H64A 106.9 . . ? C64 C65 H65A 109.5 . . ? C64 C65 H65B 109.5 . . ? H65A C65 H65B 109.5 . . ? C64 C65 H65C 109.5 . . ? H65A C65 H65C 109.5 . . ? H65B C65 H65C 109.5 . . ? C64 C66 H66A 109.5 . . ? C64 C66 H66B 109.5 . . ? H66A C66 H66B 109.5 . . ? C64 C66 H66C 109.5 . . ? H66A C66 H66C 109.5 . . ? H66B C66 H66C 109.5 . . ? C68 C67 N23 108.7(16) . . ? C68 C67 H67A 125.6 . . ? N23 C67 H67A 125.6 . . ? C67 C68 N24 106.9(15) . . ? C67 C68 H68A 126.5 . . ? N24 C68 H68A 126.5 . . ? N24 C69 N23 115.6(15) . . ? N24 C69 C70 118(2) . . ? N23 C69 C70 125(2) . . ? C71 C70 C69 111.0(18) . . ? C71 C70 C72 129.6(18) . . ? C69 C70 C72 118.7(19) . . ? C71 C70 H70A 92.6 . . ? C69 C70 H70A 92.6 . . ? C72 C70 H70A 92.6 . . ? C70 C71 H71A 109.5 . . ? C70 C71 H71B 109.5 . . ? H71A C71 H71B 109.5 . . ? C70 C71 H71C 109.5 . . ? H71A C71 H71C 109.5 . . ? H71B C71 H71C 109.5 . . ? C70 C72 H72A 109.5 . . ? C70 C72 H72B 109.5 . . ? H72A C72 H72B 109.5 . . ? C70 C72 H72C 109.5 . . ? H72A C72 H72C 109.5 . . ? H72B C72 H72C 109.5 . . ? C74 C73 N25 109.8(18) . . ? C74 C73 H73A 125.1 . . ? N25 C73 H73A 125.1 . . ? C73 C74 N26 109.5(18) . . ? C73 C74 H74A 125.2 . . ? N26 C74 H74A 125.2 . . ? N25 C75 N26 112.2(13) . . ? N25 C75 C76 126.9(16) . . ? N26 C75 C76 120.8(15) . . ? C77 C76 C78 117.2(17) . . ? C77 C76 C75 111.6(15) . . ? C78 C76 C75 111.4(16) . . ? C77 C76 H76A 105.2 . . ? C78 C76 H76A 105.2 . . ? C75 C76 H76A 105.2 . . ? C76 C77 H77A 109.5 . . ? C76 C77 H77B 109.5 . . ? H77A C77 H77B 109.5 . . ? C76 C77 H77C 109.5 . . ? H77A C77 H77C 109.5 . . ? H77B C77 H77C 109.5 . . ? C76 C78 H78A 109.5 . . ? C76 C78 H78B 109.5 . . ? H78A C78 H78B 109.5 . . ? C76 C78 H78C 109.5 . . ? H78A C78 H78C 109.5 . . ? H78B C78 H78C 109.5 . . ? C80 C79 N27 109.8(17) . . ? C80 C79 H79A 125.1 . . ? N27 C79 H79A 125.1 . . ? C79 C80 N28 106.8(17) . . ? C79 C80 H80A 126.6 . . ? N28 C80 H80A 126.6 . . ? N28 C81 N27 112.3(13) . . ? N28 C81 C82 124.2(14) . . ? N27 C81 C82 123.4(13) . . ? C81 C82 C83 109.8(13) . . ? C81 C82 C84 112.0(14) . . ? C83 C82 C84 116.7(15) . . ? C81 C82 H82A 105.8 . . ? C83 C82 H82A 105.8 . . ? C84 C82 H82A 105.8 . . ? C82 C83 H83A 109.5 . . ? C82 C83 H83B 109.5 . . ? H83A C83 H83B 109.5 . . ? C82 C83 H83C 109.5 . . ? H83A C83 H83C 109.5 . . ? H83B C83 H83C 109.5 . . ? C82 C84 H84A 109.5 . . ? C82 C84 H84B 109.5 . . ? H84A C84 H84B 109.5 . . ? C82 C84 H84C 109.5 . . ? H84A C84 H84C 109.5 . . ? H84B C84 H84C 109.5 . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 5.283 _refine_diff_density_min -1.531 _refine_diff_density_rms 0.302