# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2008 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Martin Jansen' _publ_contact_author_address ; Chemistry Max Planck Institute for Solid state research Heisenbergstrasse 1 D-70569 Stuttgart GERMANY ; _publ_contact_author_email M.Jansen@fkf.mpg.de loop_ _publ_author_name 'Lars Epple' 'Konstantin Amsharov' 'Kalin Simeonov' 'Ina Dix' 'Martin Jansen' data_ams118 _database_code_depnum_ccdc_archive 'CCDC 684824' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C84, C44 H28 Ag N4, C6H6' _chemical_formula_sum 'C134 H34 Ag N4' _chemical_formula_weight 1807.52 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag 0.1306 4.2820 '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 11.9115(11) _cell_length_b 14.4879(14) _cell_length_c 22.244(2) _cell_angle_alpha 81.668(6) _cell_angle_beta 80.692(5) _cell_angle_gamma 77.854(5) _cell_volume 3678.9(6) _cell_formula_units_Z 2 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9254 _cell_measurement_theta_min 3.93 _cell_measurement_theta_max 68.71 _exptl_crystal_description block _exptl_crystal_colour black _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.03 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.632 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1826 _exptl_absorpt_coefficient_mu 2.770 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6476 _exptl_absorpt_correction_T_max 0.7532 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type - _diffrn_measurement_method \wscans _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 54440 _diffrn_reflns_av_R_equivalents 0.0524 _diffrn_reflns_av_sigmaI/netI 0.0442 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 3.14 _diffrn_reflns_theta_max 68.93 _reflns_number_total 12983 _reflns_number_gt 10576 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Proteum (v 1.40, Bruker 2002)' _computing_cell_refinement 'Bruker AXS SAINT (v 7.34A, Bruker 2006)' _computing_data_reduction 'Bruker AXS SAINT (v 7.34A, Bruker 2006)' _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^)+(0.0563P)^2^+3.0104P] 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 none _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12983 _refine_ls_number_parameters 1225 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0547 _refine_ls_R_factor_gt 0.0404 _refine_ls_wR_factor_ref 0.1070 _refine_ls_wR_factor_gt 0.0966 _refine_ls_goodness_of_fit_ref 1.060 _refine_ls_restrained_S_all 1.060 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 1.0000 0.0000 0.0000 0.01517(8) Uani 1 2 d S . . Ag2 Ag 0.0000 0.5000 0.5000 0.01654(8) Uani 1 2 d S . . N1 N 0.8266(2) 0.00335(16) 0.03756(11) 0.0173(5) Uani 1 1 d . . . N2 N 0.9827(2) 0.14049(15) 0.02040(11) 0.0165(5) Uani 1 1 d . . . N3 N -0.1632(2) 0.53707(16) 0.47039(11) 0.0181(5) Uani 1 1 d . . . N4 N 0.0574(2) 0.41238(16) 0.42975(11) 0.0185(5) Uani 1 1 d . . . C5 C 0.7672(2) -0.06737(19) 0.03604(13) 0.0172(6) Uani 1 1 d . . . C6 C 0.7514(2) 0.0778(2) 0.06222(13) 0.0174(6) Uani 1 1 d . . . C7 C 0.9225(3) 0.2739(2) 0.06888(14) 0.0207(6) Uani 1 1 d . . . H7 H 0.8745 0.3213 0.0920 0.025 Uiso 1 1 calc R . . C8 C -0.1969(3) 0.5001(2) 0.42434(13) 0.0194(6) Uani 1 1 d . . . C9 C -0.0049(3) 0.4031(2) 0.38464(13) 0.0193(6) Uani 1 1 d . . . C10 C -0.2586(3) 0.5913(2) 0.49961(14) 0.0198(6) Uani 1 1 d . . . C11 C 0.7435(3) -0.3057(2) 0.06040(14) 0.0209(6) Uani 1 1 d . . . H11 H 0.8050 -0.3201 0.0847 0.025 Uiso 1 1 calc R . . C12 C 0.1681(3) 0.36256(19) 0.41713(13) 0.0187(6) Uani 1 1 d . . . C13 C 0.7309(2) -0.2230(2) 0.01974(13) 0.0188(6) Uani 1 1 d . . . C14 C 0.6854(2) 0.2332(2) 0.10379(14) 0.0193(6) Uani 1 1 d . . . C15 C 0.6397(3) -0.2025(2) -0.01548(15) 0.0232(6) Uani 1 1 d . . . H15 H 0.6301 -0.1461 -0.0434 0.028 Uiso 1 1 calc R . . C16 C 0.7801(2) 0.16430(19) 0.07156(13) 0.0183(6) Uani 1 1 d . . . C17 C -0.3721(3) 0.7068(3) 0.56951(19) 0.0418(4) Uani 1 1 d . . . C18 C -0.3582(3) 0.5867(2) 0.47160(14) 0.0246(7) Uani 1 1 d . . . H18 H -0.4358 0.6175 0.4831 0.029 Uiso 1 1 calc R . . C19 C -0.2605(3) 0.6420(2) 0.54945(14) 0.0217(6) Uani 1 1 d . . . C20 C -0.2671(3) 0.4906(2) 0.23776(14) 0.0259(7) Uani 1 1 d . . . H20 H -0.3016 0.5440 0.2123 0.031 Uiso 1 1 calc R . . C21 C 0.8885(2) 0.19057(19) 0.05362(13) 0.0162(6) Uani 1 1 d . . . C22 C 1.0731(2) 0.18729(19) 0.01389(13) 0.0176(6) Uani 1 1 d . . . C23 C 0.5632(3) -0.2644(2) -0.00981(15) 0.0256(7) Uani 1 1 d . . . H23 H 0.5012 -0.2500 -0.0338 0.031 Uiso 1 1 calc R . . C24 C 0.6383(3) 0.0529(2) 0.07620(14) 0.0213(6) Uani 1 1 d . . . H24 H 0.5694 0.0917 0.0933 0.026 Uiso 1 1 calc R . . C25 C -0.1232(3) 0.4422(2) 0.38245(14) 0.0203(6) Uani 1 1 d . . . C26 C -0.2230(3) 0.5037(2) 0.28980(14) 0.0236(6) Uani 1 1 d . . . H26 H -0.2267 0.5662 0.2992 0.028 Uiso 1 1 calc R . . C27 C 0.0720(3) 0.3460(2) 0.34143(14) 0.0234(6) Uani 1 1 d . . . H27 H 0.0527 0.3296 0.3051 0.028 Uiso 1 1 calc R . . C28 C 0.6664(3) -0.3679(2) 0.06585(14) 0.0226(6) Uani 1 1 d . . . H28 H 0.6755 -0.4244 0.0937 0.027 Uiso 1 1 calc R . . C29 C -0.1738(3) 0.4260(2) 0.32815(14) 0.0211(6) Uani 1 1 d . . . C30 C 0.3612(3) 0.7940(3) 0.11621(16) 0.0371(9) Uani 1 1 d . . . C31 C -0.3210(3) 0.5307(2) 0.42617(14) 0.0235(6) Uani 1 1 d . . . H31 H -0.3677 0.5144 0.4001 0.028 Uiso 1 1 calc R . . C32 C 0.8131(2) -0.1561(2) 0.01430(13) 0.0178(6) Uani 1 1 d . . . C33 C 1.0340(3) 0.2723(2) 0.04453(13) 0.0195(6) Uani 1 1 d . . . H33 H 1.0787 0.3184 0.0470 0.023 Uiso 1 1 calc R . . C34 C 0.6480(3) -0.0355(2) 0.06057(13) 0.0205(6) Uani 1 1 d . . . H34 H 0.5873 -0.0703 0.0650 0.025 Uiso 1 1 calc R . . C35 C 0.6274(3) 0.2059(2) 0.16129(15) 0.0258(7) Uani 1 1 d . . . H35 H 0.6513 0.1441 0.1814 0.031 Uiso 1 1 calc R . . C36 C 0.5352(3) 0.2678(2) 0.18941(16) 0.0321(8) Uani 1 1 d . . . H36 H 0.4963 0.2479 0.2284 0.039 Uiso 1 1 calc R . . C37 C 0.6502(3) 0.3255(2) 0.07600(15) 0.0238(7) Uani 1 1 d . . . H37 H 0.6895 0.3461 0.0373 0.029 Uiso 1 1 calc R . . C38 C 0.0496(3) 0.5214(2) 0.07044(16) 0.0318(8) Uani 1 1 d . . . H38 H 0.0132 0.5686 0.0417 0.038 Uiso 1 1 calc R . . C39 C -0.1699(3) 0.3344(2) 0.31369(15) 0.0246(7) Uani 1 1 d . . . H39 H -0.1384 0.2806 0.3398 0.030 Uiso 1 1 calc R . . C40 C 0.1762(3) 0.3197(2) 0.36166(14) 0.0230(6) Uani 1 1 d . . . H40 H 0.2427 0.2803 0.3428 0.028 Uiso 1 1 calc R . . C41 C 0.5582(3) 0.3875(2) 0.10455(18) 0.0319(8) Uani 1 1 d . . . H41 H 0.5351 0.4501 0.0853 0.038 Uiso 1 1 calc R . . C42 C 0.5765(3) -0.3468(2) 0.03047(15) 0.0249(7) Uani 1 1 d . . . H42 H 0.5240 -0.3890 0.0339 0.030 Uiso 1 1 calc R . . C43 C -0.0154(3) 0.4871(2) 0.12345(15) 0.0286(7) Uani 1 1 d . . . H43 H -0.0965 0.5107 0.1309 0.034 Uiso 1 1 calc R . . C44 C 0.1563(3) 0.3839(2) 0.15450(17) 0.0338(8) Uani 1 1 d . . . H44 H 0.1928 0.3369 0.1833 0.041 Uiso 1 1 calc R . . C45 C -0.1273(3) 0.7499(3) 0.26118(19) 0.0388(9) Uani 1 1 d . . . C46 C -0.2602(3) 0.3998(2) 0.22352(15) 0.0278(7) Uani 1 1 d . . . H46 H -0.2885 0.3907 0.1877 0.033 Uiso 1 1 calc R . . C47 C 0.2800(3) 0.9666(3) 0.11816(15) 0.0363(8) Uani 1 1 d . . . C48 C -0.0177(3) 0.6561(2) 0.34338(17) 0.0338(8) Uani 1 1 d . . . C49 C -0.2120(3) 0.3218(2) 0.26138(15) 0.0271(7) Uani 1 1 d . . . H49 H -0.2077 0.2594 0.2515 0.033 Uiso 1 1 calc R . . C50 C 0.3355(3) 0.6345(3) 0.15808(17) 0.0390(9) Uani 1 1 d . . . C51 C 0.2239(3) 0.5841(2) 0.36324(17) 0.0353(8) Uani 1 1 d . . . C52 C 0.1637(4) 0.9226(3) 0.45675(15) 0.0381(9) Uani 1 1 d . . . C53 C 0.3329(3) 1.0965(2) 0.28351(17) 0.0343(8) Uani 1 1 d . . . C54 C -0.0502(3) 0.7054(3) 0.21707(18) 0.0398(9) Uani 1 1 d . . . C55 C 0.0399(3) 1.1077(2) 0.20331(18) 0.0375(9) Uani 1 1 d . . . C56 C -0.4006(3) 0.7958(3) 0.53829(19) 0.0418(4) Uani 1 1 d . . . H56 H -0.3499 0.8153 0.5034 0.050 Uiso 1 1 calc R . . C57 C 0.3863(3) 0.5740(2) 0.25366(18) 0.0382(9) Uani 1 1 d . . . C58 C 0.4209(3) 0.9794(3) 0.36172(18) 0.0386(9) Uani 1 1 d . . . C59 C -0.1374(3) 0.8099(3) 0.41103(18) 0.0403(9) Uani 1 1 d . . . C60 C -0.0170(3) 1.0468(3) 0.17888(18) 0.0401(9) Uani 1 1 d . . . C61 C 0.1182(3) 1.1236(2) 0.29808(17) 0.0339(8) Uani 1 1 d . . . C62 C -0.1172(3) 0.7195(3) 0.32518(18) 0.0377(9) Uani 1 1 d . . . C63 C 0.4145(3) 1.0491(2) 0.23671(18) 0.0354(8) Uani 1 1 d . . . C64 C 0.3427(3) 0.5834(2) 0.36231(18) 0.0384(9) Uani 1 1 d . . . C65 C 0.3828(3) 0.6374(3) 0.40105(18) 0.0396(9) Uani 1 1 d . . . C66 C 0.4421(3) 0.7949(2) 0.15538(17) 0.0353(8) Uani 1 1 d . . . C67 C 0.1688(4) 0.8508(3) 0.09851(16) 0.0412(9) Uani 1 1 d . . . C68 C -0.1044(3) 1.0033(3) 0.21454(19) 0.0405(9) Uani 1 1 d . . . C69 C 0.1199(3) 1.0824(2) 0.36202(17) 0.0347(8) Uani 1 1 d . . . C70 C 0.2434(3) 0.5885(2) 0.19274(17) 0.0373(9) Uani 1 1 d . . . C71 C 0.2758(4) 0.8789(3) 0.10071(15) 0.0388(9) Uani 1 1 d . . . C72 C 0.1228(4) 0.7584(3) 0.47766(15) 0.0376(9) Uani 1 1 d . . . C73 C 0.0659(4) 0.9984(3) 0.13258(17) 0.0398(9) Uani 1 1 d . . . C74 C 0.4737(3) 0.6835(3) 0.3657(2) 0.0425(9) Uani 1 1 d . . . C75 C -0.1277(3) 0.9039(3) 0.42339(18) 0.0414(9) Uani 1 1 d . . . C76 C 0.4215(3) 0.6306(2) 0.19639(18) 0.0388(9) Uani 1 1 d . . . C77 C -0.0309(3) 0.8594(3) 0.15547(17) 0.0401(9) Uani 1 1 d . . . C78 C 0.0613(4) 0.9063(3) 0.12105(16) 0.0404(9) Uani 1 1 d . . . C79 C 0.2282(3) 1.0544(2) 0.38346(17) 0.0352(8) Uani 1 1 d . . . C80 C 0.2210(3) 0.4181(3) 0.10148(17) 0.0355(8) Uani 1 1 d . . . H80 H 0.3021 0.3945 0.0938 0.043 Uiso 1 1 calc R . . C81 C 0.1719(4) 1.0301(3) 0.12829(16) 0.0374(9) Uani 1 1 d . . . C82 C -0.1402(3) 1.0310(2) 0.2742(2) 0.0393(9) Uani 1 1 d . . . C83 C 0.5135(3) 0.8880(3) 0.21962(18) 0.0356(8) Uani 1 1 d . . . C84 C 0.5414(3) 0.8040(3) 0.26313(19) 0.0378(9) Uani 1 1 d . . . C85 C 0.1308(4) 0.6228(3) 0.18326(17) 0.0373(9) Uani 1 1 d . . . C86 C 0.3072(4) 0.7139(3) 0.11719(16) 0.0391(9) Uani 1 1 d . . . C87 C 0.3148(4) 0.7759(3) 0.45772(17) 0.0410(9) Uani 1 1 d . . . C88 C -0.5764(3) 0.8294(3) 0.60724(18) 0.0418(4) Uani 1 1 d . . . H88 H -0.6485 0.8695 0.6187 0.050 Uiso 1 1 calc R . . C89 C 0.4989(3) 0.9342(3) 0.31757(19) 0.0384(9) Uani 1 1 d . . . C90 C 0.1849(3) 0.5713(2) 0.30601(17) 0.0333(8) Uani 1 1 d . . . C91 C 0.1672(3) 0.4867(2) 0.05977(16) 0.0347(8) Uani 1 1 d . . . H91 H 0.2116 0.5101 0.0235 0.042 Uiso 1 1 calc R . . C92 C 0.3061(4) 0.6813(3) 0.44528(17) 0.0391(9) Uani 1 1 d . . . C93 C -0.0739(3) 1.0825(2) 0.30097(19) 0.0392(9) Uani 1 1 d . . . C94 C 0.2519(3) 0.9717(3) 0.42849(16) 0.0372(8) Uani 1 1 d . . . C95 C 0.3575(3) 1.0530(2) 0.18464(16) 0.0339(8) Uani 1 1 d . . . C96 C 0.0216(3) 1.1175(2) 0.26670(19) 0.0365(8) Uani 1 1 d . . . C97 C -0.0445(3) 0.7422(3) 0.43378(16) 0.0381(9) Uani 1 1 d . . . C98 C -0.4437(3) 0.6805(3) 0.62175(19) 0.0418(4) Uani 1 1 d . . . H98 H -0.4235 0.6202 0.6446 0.050 Uiso 1 1 calc R . . C99 C 0.0377(3) 0.4188(2) 0.16507(15) 0.0295(7) Uani 1 1 d . . . H99 H -0.0070 0.3955 0.2012 0.035 Uiso 1 1 calc R . . C100 C 0.4212(3) 0.5858(2) 0.3060(2) 0.0406(9) Uani 1 1 d . . . C101 C 0.4761(3) 0.7080(3) 0.19651(18) 0.0376(9) Uani 1 1 d . . . C102 C -0.0320(3) 0.8935(3) 0.45528(16) 0.0394(9) Uani 1 1 d . . . C103 C 0.0212(3) 0.6682(2) 0.40044(16) 0.0343(8) Uani 1 1 d . . . C104 C 0.2705(3) 0.5581(2) 0.25386(18) 0.0357(8) Uani 1 1 d . . . C105 C 0.5001(3) 0.3580(2) 0.16097(18) 0.0337(8) Uani 1 1 d . . . H105 H 0.4363 0.3999 0.1800 0.040 Uiso 1 1 calc R . . C106 C 0.4547(3) 0.8872(3) 0.16992(16) 0.0349(8) Uani 1 1 d . . . C107 C 0.3684(4) 0.9247(3) 0.41420(17) 0.0399(9) Uani 1 1 d . . . C108 C 0.0403(3) 0.6279(2) 0.23491(17) 0.0346(8) Uani 1 1 d . . . C109 C 0.4949(3) 0.6532(2) 0.30643(19) 0.0383(9) Uani 1 1 d . . . C110 C -0.1672(3) 0.8512(3) 0.2521(2) 0.0412(9) Uani 1 1 d . . . C111 C 0.3343(3) 1.0613(2) 0.34475(17) 0.0360(8) Uani 1 1 d . . . C112 C 0.5277(3) 0.8321(3) 0.32301(19) 0.0403(9) Uani 1 1 d . . . C113 C 0.0118(4) 0.7924(3) 0.46835(16) 0.0396(9) Uani 1 1 d . . . C114 C -0.1742(3) 0.7997(3) 0.35735(19) 0.0395(9) Uani 1 1 d . . . C115 C 0.3748(3) 0.9739(2) 0.15105(16) 0.0343(8) Uani 1 1 d . . . C116 C 0.2006(4) 0.8242(3) 0.47574(16) 0.0401(9) Uani 1 1 d . . . C117 C 0.2440(3) 1.1115(2) 0.19704(17) 0.0361(8) Uani 1 1 d . . . C118 C 0.0467(4) 0.9579(3) 0.44248(16) 0.0389(9) Uani 1 1 d . . . C119 C 0.4819(3) 0.7764(3) 0.37546(19) 0.0388(9) Uani 1 1 d . . . C120 C 0.4001(3) 0.8235(3) 0.42271(18) 0.0398(9) Uani 1 1 d . . . C121 C -0.1142(3) 0.9081(3) 0.2025(2) 0.0422(9) Uani 1 1 d . . . C122 C -0.5026(3) 0.8580(3) 0.55706(19) 0.0418(4) Uani 1 1 d . . . H122 H -0.5210 0.9195 0.5354 0.050 Uiso 1 1 calc R . . C123 C 0.1876(4) 0.6742(3) 0.45218(16) 0.0372(8) Uani 1 1 d . . . C124 C -0.2027(3) 0.8812(3) 0.3123(2) 0.0426(9) Uani 1 1 d . . . C125 C 0.0244(3) 1.0373(2) 0.39519(17) 0.0361(8) Uani 1 1 d . . . C126 C 0.1019(4) 0.7044(3) 0.13882(17) 0.0406(9) Uani 1 1 d . . . C127 C -0.1512(3) 0.9810(3) 0.37998(19) 0.0407(9) Uani 1 1 d . . . C128 C 0.0651(3) 0.6073(2) 0.29605(17) 0.0334(8) Uani 1 1 d . . . C129 C 0.5201(3) 0.7154(3) 0.25320(19) 0.0390(9) Uani 1 1 d . . . C130 C 0.4935(3) 0.9695(3) 0.25334(18) 0.0379(9) Uani 1 1 d . . . C131 C 0.1420(3) 0.6320(2) 0.40977(16) 0.0350(8) Uani 1 1 d . . . C132 C -0.0083(3) 0.7587(3) 0.16147(17) 0.0397(9) Uani 1 1 d . . . C133 C 0.1548(3) 1.1008(2) 0.16945(17) 0.0366(8) Uani 1 1 d . . . C134 C -0.5458(3) 0.7426(3) 0.64094(19) 0.0418(4) Uani 1 1 d . . . H134 H -0.5942 0.7250 0.6773 0.050 Uiso 1 1 calc R . . C135 C -0.1904(3) 0.9698(3) 0.3233(2) 0.0433(10) Uani 1 1 d . . . C136 C 0.1892(4) 0.7490(3) 0.10700(16) 0.0416(9) Uani 1 1 d . . . C137 C -0.0751(3) 1.0478(2) 0.36583(19) 0.0389(9) Uani 1 1 d . . . C138 C 0.2250(3) 1.1303(2) 0.26089(17) 0.0333(8) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.01760(15) 0.01473(14) 0.01575(15) -0.00325(12) -0.00393(10) -0.00651(10) Ag2 0.01817(15) 0.01675(14) 0.01533(16) -0.00317(12) -0.00437(11) -0.00224(10) N1 0.0182(12) 0.0175(11) 0.0183(13) -0.0020(10) -0.0046(9) -0.0063(9) N2 0.0210(12) 0.0138(11) 0.0176(12) -0.0031(10) -0.0054(9) -0.0066(9) N3 0.0156(12) 0.0197(12) 0.0187(13) -0.0016(11) -0.0059(9) -0.0010(9) N4 0.0226(13) 0.0163(11) 0.0170(13) -0.0074(10) -0.0029(10) -0.0005(9) C5 0.0213(15) 0.0173(13) 0.0153(14) -0.0009(12) -0.0059(11) -0.0066(11) C6 0.0197(14) 0.0175(13) 0.0160(15) -0.0049(12) -0.0031(11) -0.0036(11) C7 0.0242(16) 0.0202(14) 0.0203(16) -0.0044(13) -0.0051(12) -0.0072(12) C8 0.0263(16) 0.0171(13) 0.0160(15) -0.0015(12) -0.0055(11) -0.0052(11) C9 0.0257(15) 0.0161(13) 0.0180(15) -0.0032(12) -0.0057(12) -0.0050(11) C10 0.0230(15) 0.0184(13) 0.0178(15) -0.0012(13) -0.0039(11) -0.0033(11) C11 0.0232(15) 0.0207(14) 0.0201(16) -0.0049(13) -0.0029(12) -0.0057(12) C12 0.0254(15) 0.0130(13) 0.0176(15) -0.0042(12) -0.0009(11) -0.0030(11) C13 0.0221(15) 0.0180(14) 0.0187(15) -0.0073(12) -0.0013(11) -0.0068(11) C14 0.0191(15) 0.0197(14) 0.0239(16) -0.0060(13) -0.0083(12) -0.0081(11) C15 0.0269(16) 0.0194(14) 0.0259(17) -0.0011(13) -0.0066(13) -0.0091(12) C16 0.0241(15) 0.0156(13) 0.0160(15) -0.0014(12) -0.0066(11) -0.0030(11) C17 0.0357(8) 0.0418(8) 0.0446(10) -0.0134(8) -0.0015(6) 0.0025(6) C18 0.0221(16) 0.0274(15) 0.0239(17) -0.0040(14) -0.0051(12) -0.0018(12) C19 0.0233(15) 0.0202(14) 0.0207(16) 0.0001(13) -0.0028(12) -0.0040(11) C20 0.0247(16) 0.0329(17) 0.0194(16) -0.0035(14) -0.0066(12) -0.0009(13) C21 0.0221(15) 0.0137(13) 0.0154(14) -0.0070(12) -0.0053(11) -0.0032(11) C22 0.0254(15) 0.0149(13) 0.0150(14) -0.0012(12) -0.0073(11) -0.0061(11) C23 0.0262(16) 0.0239(15) 0.0315(18) -0.0091(14) -0.0097(13) -0.0070(12) C24 0.0198(15) 0.0217(14) 0.0235(16) -0.0054(13) -0.0024(12) -0.0051(11) C25 0.0265(16) 0.0179(13) 0.0180(15) 0.0004(12) -0.0054(12) -0.0074(11) C26 0.0252(16) 0.0249(15) 0.0215(16) -0.0058(13) -0.0042(12) -0.0036(12) C27 0.0280(17) 0.0206(14) 0.0223(16) -0.0048(13) -0.0051(12) -0.0037(12) C28 0.0298(17) 0.0152(13) 0.0228(16) -0.0036(13) 0.0006(12) -0.0061(12) C29 0.0217(15) 0.0257(15) 0.0169(15) -0.0046(13) -0.0030(11) -0.0052(12) C30 0.051(2) 0.0370(19) 0.0215(18) -0.0119(16) 0.0134(15) -0.0114(16) C31 0.0228(16) 0.0271(15) 0.0217(16) -0.0037(14) -0.0074(12) -0.0032(12) C32 0.0235(15) 0.0190(14) 0.0127(14) 0.0007(12) -0.0065(11) -0.0066(11) C33 0.0247(15) 0.0163(13) 0.0206(16) -0.0026(12) -0.0066(12) -0.0080(11) C34 0.0231(15) 0.0204(14) 0.0203(16) -0.0022(13) -0.0022(12) -0.0101(11) C35 0.0279(17) 0.0234(15) 0.0299(18) -0.0082(14) -0.0033(13) -0.0099(13) C36 0.0316(18) 0.0337(18) 0.0350(19) -0.0196(16) 0.0049(14) -0.0115(14) C37 0.0256(16) 0.0197(14) 0.0318(18) -0.0066(14) -0.0112(13) -0.0088(12) C38 0.049(2) 0.0235(16) 0.0269(18) -0.0062(15) -0.0102(15) -0.0102(15) C39 0.0256(16) 0.0245(15) 0.0255(17) -0.0066(14) -0.0065(12) -0.0040(12) C40 0.0247(16) 0.0199(14) 0.0248(17) -0.0056(13) -0.0031(12) -0.0032(12) C41 0.0299(18) 0.0182(15) 0.053(2) -0.0102(16) -0.0194(16) -0.0025(13) C42 0.0264(16) 0.0211(15) 0.0305(18) -0.0096(14) 0.0015(13) -0.0113(12) C43 0.0298(17) 0.0310(17) 0.0270(18) -0.0085(15) -0.0039(13) -0.0068(13) C44 0.044(2) 0.0249(16) 0.037(2) -0.0095(16) -0.0174(16) -0.0044(14) C45 0.0306(19) 0.044(2) 0.051(2) -0.0103(19) -0.0122(16) -0.0198(16) C46 0.0227(16) 0.0377(18) 0.0259(17) -0.0147(15) -0.0038(13) -0.0045(13) C47 0.056(2) 0.0356(19) 0.0160(17) 0.0049(16) 0.0007(15) -0.0156(17) C48 0.041(2) 0.0273(16) 0.037(2) -0.0043(16) 0.0023(15) -0.0196(15) C49 0.0265(17) 0.0277(16) 0.0312(18) -0.0105(15) -0.0047(13) -0.0090(13) C50 0.051(2) 0.0308(18) 0.034(2) -0.0223(17) 0.0132(17) -0.0068(16) C51 0.049(2) 0.0189(15) 0.036(2) 0.0067(15) -0.0056(16) -0.0082(14) C52 0.059(2) 0.043(2) 0.0192(17) -0.0157(17) -0.0038(16) -0.0177(18) C53 0.044(2) 0.0217(15) 0.043(2) -0.0121(16) -0.0017(16) -0.0170(14) C54 0.044(2) 0.044(2) 0.043(2) -0.0133(19) -0.0141(17) -0.0222(17) C55 0.043(2) 0.0199(15) 0.046(2) 0.0054(16) -0.0144(17) 0.0021(14) C56 0.0357(8) 0.0418(8) 0.0446(10) -0.0134(8) -0.0015(6) 0.0025(6) C57 0.044(2) 0.0175(15) 0.049(2) -0.0138(16) 0.0017(17) 0.0047(14) C58 0.042(2) 0.042(2) 0.042(2) -0.0089(18) -0.0165(17) -0.0211(17) C59 0.035(2) 0.044(2) 0.041(2) -0.0117(18) 0.0176(16) -0.0179(16) C60 0.043(2) 0.0322(18) 0.043(2) 0.0121(18) -0.0243(17) 0.0007(16) C61 0.043(2) 0.0145(14) 0.044(2) -0.0111(15) -0.0017(16) -0.0028(13) C62 0.0330(19) 0.0386(19) 0.048(2) -0.0123(18) 0.0033(16) -0.0232(16) C63 0.037(2) 0.0304(17) 0.043(2) -0.0023(17) 0.0004(16) -0.0202(15) C64 0.047(2) 0.0198(15) 0.044(2) 0.0067(16) -0.0126(17) 0.0011(14) C65 0.043(2) 0.0317(18) 0.042(2) 0.0094(18) -0.0220(17) 0.0001(16) C66 0.0356(19) 0.0328(18) 0.033(2) -0.0117(16) 0.0151(15) -0.0067(15) C67 0.063(3) 0.051(2) 0.0134(17) -0.0006(17) -0.0101(16) -0.020(2) C68 0.0322(19) 0.0372(19) 0.051(2) 0.0035(19) -0.0225(17) 0.0039(15) C69 0.046(2) 0.0204(15) 0.039(2) -0.0148(16) 0.0010(16) -0.0074(14) C70 0.055(2) 0.0231(16) 0.036(2) -0.0180(16) 0.0038(17) -0.0094(15) C71 0.062(3) 0.042(2) 0.0126(16) -0.0029(16) 0.0033(15) -0.0162(18) C72 0.063(3) 0.039(2) 0.0109(16) -0.0023(15) 0.0005(15) -0.0153(18) C73 0.057(2) 0.038(2) 0.0262(19) 0.0093(17) -0.0239(17) -0.0064(17) C74 0.033(2) 0.038(2) 0.054(3) 0.0086(19) -0.0212(17) -0.0007(16) C75 0.037(2) 0.044(2) 0.041(2) -0.0200(19) 0.0189(16) -0.0091(16) C76 0.039(2) 0.0250(17) 0.046(2) -0.0139(17) 0.0098(17) 0.0020(14) C77 0.047(2) 0.050(2) 0.031(2) -0.0031(18) -0.0233(17) -0.0126(18) C78 0.057(2) 0.047(2) 0.0225(19) 0.0045(17) -0.0235(17) -0.0149(19) C79 0.051(2) 0.0285(17) 0.033(2) -0.0145(16) -0.0051(16) -0.0157(16) C80 0.0278(18) 0.0391(19) 0.046(2) -0.0245(18) -0.0035(15) -0.0088(15) C81 0.060(2) 0.0322(18) 0.0197(18) 0.0117(16) -0.0136(16) -0.0123(17) C82 0.0245(18) 0.0299(18) 0.059(3) -0.0029(18) -0.0107(16) 0.0066(14) C83 0.0236(17) 0.0370(19) 0.046(2) -0.0108(17) 0.0078(15) -0.0102(14) C84 0.0166(16) 0.041(2) 0.054(2) -0.0061(19) -0.0021(15) -0.0034(14) C85 0.055(2) 0.0307(18) 0.033(2) -0.0184(17) -0.0019(16) -0.0173(17) C86 0.057(2) 0.041(2) 0.0217(18) -0.0203(17) 0.0102(16) -0.0152(18) C87 0.057(2) 0.048(2) 0.0238(19) 0.0034(18) -0.0210(17) -0.0156(19) C88 0.0357(8) 0.0418(8) 0.0446(10) -0.0134(8) -0.0015(6) 0.0025(6) C89 0.0306(19) 0.042(2) 0.049(2) -0.0075(19) -0.0110(16) -0.0171(16) C90 0.051(2) 0.0140(14) 0.035(2) -0.0024(15) -0.0035(16) -0.0087(14) C91 0.046(2) 0.0346(18) 0.0284(19) -0.0135(16) 0.0053(15) -0.0195(16) C92 0.056(2) 0.0346(19) 0.0276(19) 0.0108(17) -0.0209(17) -0.0075(17) C93 0.034(2) 0.0233(16) 0.056(3) -0.0093(17) -0.0049(17) 0.0068(14) C94 0.056(2) 0.041(2) 0.0232(18) -0.0138(17) -0.0101(16) -0.0174(17) C95 0.045(2) 0.0268(17) 0.0296(19) 0.0025(15) 0.0051(15) -0.0180(15) C96 0.038(2) 0.0147(14) 0.053(2) -0.0068(16) -0.0081(17) 0.0056(13) C97 0.048(2) 0.039(2) 0.0268(19) -0.0028(17) 0.0123(16) -0.0209(17) C98 0.0357(8) 0.0418(8) 0.0446(10) -0.0134(8) -0.0015(6) 0.0025(6) C99 0.0379(19) 0.0301(17) 0.0236(17) -0.0069(15) -0.0024(14) -0.0120(14) C100 0.041(2) 0.0202(16) 0.054(3) -0.0023(17) -0.0076(18) 0.0088(14) C101 0.0280(18) 0.0352(19) 0.043(2) -0.0119(17) 0.0110(15) 0.0021(14) C102 0.050(2) 0.043(2) 0.0246(19) -0.0165(17) 0.0143(16) -0.0145(17) C103 0.046(2) 0.0307(17) 0.0279(19) 0.0006(16) 0.0049(15) -0.0209(15) C104 0.047(2) 0.0149(14) 0.045(2) -0.0108(16) 0.0013(16) -0.0058(14) C105 0.0238(17) 0.0299(17) 0.052(2) -0.0247(17) -0.0035(15) -0.0038(13) C106 0.0344(19) 0.0368(18) 0.0319(19) -0.0071(16) 0.0121(15) -0.0140(15) C107 0.053(2) 0.046(2) 0.031(2) -0.0054(18) -0.0213(17) -0.0211(18) C108 0.044(2) 0.0312(17) 0.037(2) -0.0113(16) -0.0059(16) -0.0224(16) C109 0.0289(19) 0.0289(17) 0.052(2) -0.0026(18) -0.0098(16) 0.0085(14) C110 0.0239(18) 0.048(2) 0.057(3) -0.009(2) -0.0147(16) -0.0103(16) C111 0.048(2) 0.0296(17) 0.039(2) -0.0107(17) -0.0082(16) -0.0193(16) C112 0.0246(18) 0.046(2) 0.055(3) -0.004(2) -0.0184(16) -0.0082(15) C113 0.059(3) 0.042(2) 0.0181(17) -0.0058(16) 0.0105(16) -0.0206(18) C114 0.0235(18) 0.043(2) 0.053(2) -0.0097(19) 0.0056(16) -0.0154(15) C115 0.045(2) 0.0321(18) 0.0245(18) -0.0006(15) 0.0101(15) -0.0174(15) C116 0.063(3) 0.046(2) 0.0153(17) -0.0049(17) -0.0089(16) -0.0174(19) C117 0.053(2) 0.0201(15) 0.034(2) 0.0077(16) -0.0024(16) -0.0148(15) C118 0.054(2) 0.039(2) 0.0261(19) -0.0232(17) 0.0093(16) -0.0135(17) C119 0.0330(19) 0.040(2) 0.047(2) -0.0006(18) -0.0244(17) -0.0042(15) C120 0.048(2) 0.044(2) 0.035(2) 0.0011(18) -0.0274(17) -0.0128(17) C121 0.034(2) 0.046(2) 0.053(2) 0.001(2) -0.0295(18) -0.0074(16) C122 0.0357(8) 0.0418(8) 0.0446(10) -0.0134(8) -0.0015(6) 0.0025(6) C123 0.060(2) 0.0332(18) 0.0180(17) 0.0112(16) -0.0071(16) -0.0158(17) C124 0.0185(17) 0.045(2) 0.065(3) -0.010(2) -0.0044(16) -0.0064(15) C125 0.044(2) 0.0268(17) 0.038(2) -0.0229(16) 0.0093(16) -0.0052(15) C126 0.059(3) 0.048(2) 0.0255(19) -0.0154(18) -0.0108(17) -0.0220(19) C127 0.0270(19) 0.0366(19) 0.055(3) -0.0207(19) 0.0112(16) -0.0001(15) C128 0.045(2) 0.0219(16) 0.037(2) -0.0073(15) 0.0015(16) -0.0178(14) C129 0.0222(18) 0.0328(18) 0.056(3) -0.0090(18) 0.0004(16) 0.0060(13) C130 0.0303(19) 0.0395(19) 0.048(2) -0.0060(18) 0.0003(16) -0.0194(15) C131 0.056(2) 0.0232(16) 0.0255(19) 0.0059(15) -0.0034(16) -0.0152(15) C132 0.048(2) 0.049(2) 0.033(2) -0.0092(18) -0.0212(17) -0.0185(18) C133 0.052(2) 0.0203(16) 0.036(2) 0.0101(16) -0.0120(17) -0.0066(15) C134 0.0357(8) 0.0418(8) 0.0446(10) -0.0134(8) -0.0015(6) 0.0025(6) C135 0.0211(18) 0.039(2) 0.067(3) -0.015(2) 0.0001(17) 0.0022(15) C136 0.066(3) 0.049(2) 0.0168(17) -0.0131(17) -0.0051(16) -0.021(2) C137 0.034(2) 0.0278(17) 0.051(2) -0.0202(18) 0.0091(16) 0.0017(14) C138 0.046(2) 0.0139(14) 0.040(2) -0.0031(15) -0.0035(16) -0.0092(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 N1 2.093(2) . ? Ag1 N1 2.093(2) 2_755 ? Ag1 N2 2.110(2) 2_755 ? Ag1 N2 2.110(2) . ? Ag2 N4 2.094(2) . ? Ag2 N4 2.094(2) 2_566 ? Ag2 N3 2.091(2) . ? Ag2 N3 2.091(2) 2_566 ? N1 C6 1.368(4) . ? N1 C5 1.369(3) . ? N2 C22 1.367(4) . ? N2 C21 1.369(4) . ? N3 C10 1.366(4) . ? N3 C8 1.371(4) . ? N4 C12 1.370(4) . ? N4 C9 1.377(4) . ? C5 C32 1.409(4) . ? C5 C34 1.440(4) . ? C6 C16 1.418(4) . ? C6 C24 1.441(4) . ? C7 C33 1.347(4) . ? C7 C21 1.451(4) . ? C7 H7 0.9500 . ? C8 C25 1.412(4) . ? C8 C31 1.447(4) . ? C9 C25 1.410(4) . ? C9 C27 1.440(4) . ? C10 C19 1.410(4) . ? C10 C18 1.444(4) . ? C11 C13 1.390(4) . ? C11 C28 1.396(4) . ? C11 H11 0.9500 . ? C12 C19 1.410(4) 2_566 ? C12 C40 1.440(4) . ? C13 C15 1.399(4) . ? C13 C32 1.496(4) . ? C14 C35 1.398(4) . ? C14 C37 1.398(4) . ? C14 C16 1.501(4) . ? C15 C23 1.386(4) . ? C15 H15 0.9500 . ? C16 C21 1.403(4) . ? C17 C56 1.376(6) . ? C17 C98 1.382(6) . ? C17 C19 1.501(5) . ? C18 C31 1.348(4) . ? C18 H18 0.9500 . ? C19 C12 1.410(4) 2_566 ? C20 C46 1.380(5) . ? C20 C26 1.397(4) . ? C20 H20 0.9500 . ? C22 C32 1.409(4) 2_755 ? C22 C33 1.449(4) . ? C23 C42 1.382(5) . ? C23 H23 0.9500 . ? C24 C34 1.352(4) . ? C24 H24 0.9500 . ? C25 C29 1.501(4) . ? C26 C29 1.394(4) . ? C26 H26 0.9500 . ? C27 C40 1.349(4) . ? C27 H27 0.9500 . ? C28 C42 1.388(5) . ? C28 H28 0.9500 . ? C29 C39 1.400(4) . ? C30 C66 1.404(6) . ? C30 C86 1.435(5) . ? C30 C71 1.460(6) . ? C31 H31 0.9500 . ? C32 C22 1.409(4) 2_755 ? C33 H33 0.9500 . ? C34 H34 0.9500 . ? C35 C36 1.387(5) . ? C35 H35 0.9500 . ? C36 C105 1.378(5) . ? C36 H36 0.9500 . ? C37 C41 1.392(5) . ? C37 H37 0.9500 . ? C38 C91 1.378(5) . ? C38 C43 1.391(5) . ? C38 H38 0.9500 . ? C39 C49 1.388(5) . ? C39 H39 0.9500 . ? C40 H40 0.9500 . ? C41 C105 1.387(5) . ? C41 H41 0.9500 . ? C42 H42 0.9500 . ? C43 C99 1.377(5) . ? C43 H43 0.9500 . ? C44 C80 1.389(5) . ? C44 C99 1.391(5) . ? C44 H44 0.9500 . ? C45 C54 1.365(6) . ? C45 C110 1.439(5) . ? C45 C62 1.445(6) . ? C46 C49 1.387(5) . ? C46 H46 0.9500 . ? C47 C71 1.395(5) . ? C47 C81 1.422(6) . ? C47 C115 1.471(5) . ? C48 C62 1.414(5) . ? C48 C103 1.465(5) . ? C48 C128 1.472(5) . ? C49 H49 0.9500 . ? C50 C86 1.377(6) . ? C50 C76 1.421(6) . ? C50 C70 1.459(5) . ? C51 C64 1.410(5) . ? C51 C131 1.450(5) . ? C51 C90 1.472(5) . ? C52 C94 1.407(5) . ? C52 C116 1.424(5) . ? C52 C118 1.449(6) . ? C53 C111 1.385(5) . ? C53 C138 1.420(5) . ? C53 C63 1.449(5) . ? C54 C132 1.436(6) . ? C54 C108 1.442(6) . ? C55 C96 1.415(6) . ? C55 C60 1.430(5) . ? C55 C133 1.443(6) . ? C56 C122 1.395(5) . ? C56 H56 0.9500 . ? C57 C100 1.341(6) . ? C57 C104 1.445(5) . ? C57 C76 1.463(6) . ? C58 C89 1.375(6) . ? C58 C107 1.445(6) . ? C58 C111 1.447(5) . ? C59 C114 1.374(6) . ? C59 C97 1.422(6) . ? C59 C75 1.459(5) . ? C60 C68 1.405(6) . ? C60 C73 1.455(6) . ? C61 C138 1.415(5) . ? C61 C96 1.463(5) . ? C61 C69 1.462(5) . ? C62 C114 1.440(5) . ? C63 C130 1.373(5) . ? C63 C95 1.423(5) . ? C64 C65 1.439(6) . ? C64 C100 1.438(6) . ? C65 C92 1.361(6) . ? C65 C74 1.454(6) . ? C66 C101 1.469(5) . ? C66 C106 1.463(5) . ? C67 C78 1.420(6) . ? C67 C71 1.426(6) . ? C67 C136 1.433(6) . ? C68 C82 1.416(6) . ? C68 C121 1.474(6) . ? C69 C79 1.407(5) . ? C69 C125 1.472(5) . ? C70 C85 1.368(6) . ? C70 C104 1.433(6) . ? C72 C113 1.349(6) . ? C72 C123 1.438(5) . ? C72 C116 1.454(5) . ? C73 C78 1.408(5) . ? C73 C81 1.417(6) . ? C74 C109 1.416(6) . ? C74 C119 1.421(5) . ? C75 C127 1.379(6) . ? C75 C102 1.408(6) . ? C76 C101 1.411(5) . ? C77 C132 1.417(6) . ? C77 C78 1.464(6) . ? C77 C121 1.470(6) . ? C79 C111 1.423(5) . ? C79 C94 1.455(5) . ? C80 C91 1.385(5) . ? C80 H80 0.9500 . ? C81 C133 1.432(5) . ? C82 C93 1.437(5) . ? C82 C135 1.437(6) . ? C83 C106 1.404(5) . ? C83 C130 1.447(5) . ? C83 C84 1.456(5) . ? C84 C129 1.414(5) . ? C84 C112 1.423(6) . ? C85 C108 1.442(5) . ? C85 C126 1.447(6) . ? C86 C136 1.433(6) . ? C87 C116 1.416(6) . ? C87 C120 1.413(6) . ? C87 C92 1.465(5) . ? C88 C134 1.377(6) . ? C88 C122 1.375(6) . ? C88 H88 0.9500 . ? C89 C112 1.438(5) . ? C89 C130 1.453(6) . ? C90 C104 1.422(5) . ? C90 C128 1.454(5) . ? C91 H91 0.9500 . ? C92 C123 1.418(6) . ? C93 C96 1.408(5) . ? C93 C137 1.456(6) . ? C94 C107 1.418(6) . ? C95 C115 1.419(5) . ? C95 C117 1.444(5) . ? C97 C103 1.416(5) . ? C97 C113 1.450(5) . ? C98 C134 1.398(5) . ? C98 H98 0.9500 . ? C99 H99 0.9500 . ? C100 C109 1.446(5) . ? C101 C129 1.467(6) . ? C102 C118 1.427(5) . ? C102 C113 1.451(6) . ? C103 C131 1.461(5) . ? C105 H105 0.9500 . ? C106 C115 1.460(5) . ? C107 C120 1.427(5) . ? C108 C128 1.415(5) . ? C109 C129 1.412(6) . ? C110 C121 1.423(6) . ? C110 C124 1.438(6) . ? C112 C119 1.420(6) . ? C114 C124 1.453(6) . ? C117 C133 1.355(5) . ? C117 C138 1.458(5) . ? C118 C125 1.453(6) . ? C119 C120 1.454(6) . ? C122 H122 0.9500 . ? C123 C131 1.426(5) . ? C124 C135 1.382(5) . ? C125 C137 1.414(6) . ? C126 C136 1.383(6) . ? C126 C132 1.436(6) . ? C127 C137 1.430(5) . ? C127 C135 1.456(6) . ? C134 H134 0.9500 . ? 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 N1 179.998(1) . 2_755 ? N1 Ag1 N2 91.14(9) . 2_755 ? N1 Ag1 N2 88.86(9) 2_755 2_755 ? N1 Ag1 N2 88.86(9) . . ? N1 Ag1 N2 91.14(9) 2_755 . ? N2 Ag1 N2 180.0 2_755 . ? N4 Ag2 N4 180.000(1) . 2_566 ? N4 Ag2 N3 89.57(9) . . ? N4 Ag2 N3 90.43(9) 2_566 . ? N4 Ag2 N3 90.43(9) . 2_566 ? N4 Ag2 N3 89.57(9) 2_566 2_566 ? N3 Ag2 N3 179.999(1) . 2_566 ? C6 N1 C5 108.8(2) . . ? C6 N1 Ag1 126.74(18) . . ? C5 N1 Ag1 124.24(19) . . ? C22 N2 C21 108.9(2) . . ? C22 N2 Ag1 123.92(19) . . ? C21 N2 Ag1 125.81(17) . . ? C10 N3 C8 108.4(2) . . ? C10 N3 Ag2 125.18(19) . . ? C8 N3 Ag2 125.79(19) . . ? C12 N4 C9 108.3(2) . . ? C12 N4 Ag2 125.15(19) . . ? C9 N4 Ag2 126.17(19) . . ? N1 C5 C32 126.6(3) . . ? N1 C5 C34 108.1(2) . . ? C32 C5 C34 125.3(3) . . ? N1 C6 C16 125.8(3) . . ? N1 C6 C24 107.9(2) . . ? C16 C6 C24 126.3(3) . . ? C33 C7 C21 107.9(3) . . ? C33 C7 H7 126.0 . . ? C21 C7 H7 126.0 . . ? N3 C8 C25 125.9(3) . . ? N3 C8 C31 108.1(3) . . ? C25 C8 C31 126.0(3) . . ? N4 C9 C25 125.3(3) . . ? N4 C9 C27 107.8(3) . . ? C25 C9 C27 126.9(3) . . ? N3 C10 C19 126.1(3) . . ? N3 C10 C18 108.4(3) . . ? C19 C10 C18 125.5(3) . . ? C13 C11 C28 120.5(3) . . ? C13 C11 H11 119.7 . . ? C28 C11 H11 119.7 . . ? N4 C12 C19 126.1(3) . 2_566 ? N4 C12 C40 108.4(3) . . ? C19 C12 C40 125.5(3) 2_566 . ? C11 C13 C15 119.1(3) . . ? C11 C13 C32 120.4(3) . . ? C15 C13 C32 120.5(3) . . ? C35 C14 C37 118.2(3) . . ? C35 C14 C16 121.0(3) . . ? C37 C14 C16 120.7(3) . . ? C23 C15 C13 120.2(3) . . ? C23 C15 H15 119.9 . . ? C13 C15 H15 119.9 . . ? C21 C16 C6 125.8(3) . . ? C21 C16 C14 117.6(2) . . ? C6 C16 C14 116.6(2) . . ? C56 C17 C98 119.1(3) . . ? C56 C17 C19 120.2(3) . . ? C98 C17 C19 120.6(3) . . ? C31 C18 C10 107.5(3) . . ? C31 C18 H18 126.2 . . ? C10 C18 H18 126.2 . . ? C12 C19 C10 126.5(3) 2_566 . ? C12 C19 C17 116.4(3) 2_566 . ? C10 C19 C17 117.0(3) . . ? C46 C20 C26 119.7(3) . . ? C46 C20 H20 120.2 . . ? C26 C20 H20 120.2 . . ? N2 C21 C16 126.2(2) . . ? N2 C21 C7 107.6(2) . . ? C16 C21 C7 126.1(3) . . ? N2 C22 C32 126.4(3) . 2_755 ? N2 C22 C33 108.2(2) . . ? C32 C22 C33 125.3(3) 2_755 . ? C42 C23 C15 120.4(3) . . ? C42 C23 H23 119.8 . . ? C15 C23 H23 119.8 . . ? C34 C24 C6 107.8(3) . . ? C34 C24 H24 126.1 . . ? C6 C24 H24 126.1 . . ? C9 C25 C8 126.3(3) . . ? C9 C25 C29 116.8(3) . . ? C8 C25 C29 116.8(3) . . ? C29 C26 C20 120.8(3) . . ? C29 C26 H26 119.6 . . ? C20 C26 H26 119.6 . . ? C40 C27 C9 108.0(3) . . ? C40 C27 H27 126.0 . . ? C9 C27 H27 126.0 . . ? C42 C28 C11 119.7(3) . . ? C42 C28 H28 120.1 . . ? C11 C28 H28 120.1 . . ? C26 C29 C39 118.6(3) . . ? C26 C29 C25 119.7(3) . . ? C39 C29 C25 121.7(3) . . ? C66 C30 C86 122.7(4) . . ? C66 C30 C71 121.1(3) . . ? C86 C30 C71 106.8(3) . . ? C18 C31 C8 107.5(3) . . ? C18 C31 H31 126.2 . . ? C8 C31 H31 126.2 . . ? C5 C32 C22 127.0(3) . 2_755 ? C5 C32 C13 116.4(2) . . ? C22 C32 C13 116.6(2) 2_755 . ? C7 C33 C22 107.3(2) . . ? C7 C33 H33 126.3 . . ? C22 C33 H33 126.3 . . ? C24 C34 C5 107.5(2) . . ? C24 C34 H34 126.3 . . ? C5 C34 H34 126.3 . . ? C36 C35 C14 121.0(3) . . ? C36 C35 H35 119.5 . . ? C14 C35 H35 119.5 . . ? C105 C36 C35 120.1(3) . . ? C105 C36 H36 119.9 . . ? C35 C36 H36 119.9 . . ? C41 C37 C14 120.6(3) . . ? C41 C37 H37 119.7 . . ? C14 C37 H37 119.7 . . ? C91 C38 C43 119.7(3) . . ? C91 C38 H38 120.1 . . ? C43 C38 H38 120.1 . . ? C49 C39 C29 120.4(3) . . ? C49 C39 H39 119.8 . . ? C29 C39 H39 119.8 . . ? C27 C40 C12 107.4(3) . . ? C27 C40 H40 126.3 . . ? C12 C40 H40 126.3 . . ? C37 C41 C105 120.1(3) . . ? C37 C41 H41 119.9 . . ? C105 C41 H41 119.9 . . ? C23 C42 C28 120.1(3) . . ? C23 C42 H42 120.0 . . ? C28 C42 H42 120.0 . . ? C99 C43 C38 120.0(3) . . ? C99 C43 H43 120.0 . . ? C38 C43 H43 120.0 . . ? C80 C44 C99 119.5(3) . . ? C80 C44 H44 120.3 . . ? C99 C44 H44 120.3 . . ? C54 C45 C110 120.0(4) . . ? C54 C45 C62 119.8(4) . . ? C110 C45 C62 109.9(3) . . ? C49 C46 C20 120.2(3) . . ? C49 C46 H46 119.9 . . ? C20 C46 H46 119.9 . . ? C71 C47 C81 116.1(4) . . ? C71 C47 C115 119.0(4) . . ? C81 C47 C115 119.0(3) . . ? C62 C48 C103 118.0(3) . . ? C62 C48 C128 118.3(3) . . ? C103 C48 C128 119.7(3) . . ? C46 C49 C39 120.3(3) . . ? C46 C49 H49 119.9 . . ? C39 C49 H49 119.9 . . ? C86 C50 C76 120.1(3) . . ? C86 C50 C70 119.2(4) . . ? C76 C50 C70 108.9(3) . . ? C64 C51 C131 118.1(3) . . ? C64 C51 C90 117.9(3) . . ? C131 C51 C90 119.7(3) . . ? C94 C52 C116 115.7(4) . . ? C94 C52 C118 119.0(3) . . ? C116 C52 C118 120.0(3) . . ? C111 C53 C138 119.5(3) . . ? C111 C53 C63 120.1(3) . . ? C138 C53 C63 108.8(3) . . ? C45 C54 C132 120.6(4) . . ? C45 C54 C108 119.6(4) . . ? C132 C54 C108 109.8(3) . . ? C96 C55 C60 121.3(3) . . ? C96 C55 C133 120.2(3) . . ? C60 C55 C133 107.0(3) . . ? C17 C56 C122 121.0(4) . . ? C17 C56 H56 119.5 . . ? C122 C56 H56 119.5 . . ? C100 C57 C104 120.2(4) . . ? C100 C57 C76 120.0(4) . . ? C104 C57 C76 109.4(3) . . ? C89 C58 C107 120.2(4) . . ? C89 C58 C111 120.7(4) . . ? C107 C58 C111 107.6(3) . . ? C114 C59 C97 120.1(3) . . ? C114 C59 C75 119.7(4) . . ? C97 C59 C75 108.4(3) . . ? C68 C60 C55 122.1(4) . . ? C68 C60 C73 121.5(4) . . ? C55 C60 C73 107.9(3) . . ? C138 C61 C96 116.8(3) . . ? C138 C61 C69 118.5(3) . . ? C96 C61 C69 119.2(3) . . ? C48 C62 C114 122.5(4) . . ? C48 C62 C45 121.1(3) . . ? C114 C62 C45 105.9(3) . . ? C130 C63 C95 120.0(3) . . ? C130 C63 C53 119.7(4) . . ? C95 C63 C53 108.6(3) . . ? C51 C64 C65 122.0(4) . . ? C51 C64 C100 121.8(4) . . ? C65 C64 C100 105.5(3) . . ? C92 C65 C64 119.4(4) . . ? C92 C65 C74 120.8(4) . . ? C64 C65 C74 109.3(4) . . ? C30 C66 C101 117.7(3) . . ? C30 C66 C106 117.8(3) . . ? C101 C66 C106 120.5(3) . . ? C78 C67 C71 121.1(4) . . ? C78 C67 C136 121.7(4) . . ? C71 C67 C136 107.5(4) . . ? C60 C68 C82 115.6(4) . . ? C60 C68 C121 118.6(4) . . ? C82 C68 C121 119.7(4) . . ? C79 C69 C61 117.7(3) . . ? C79 C69 C125 117.4(3) . . ? C61 C69 C125 120.7(3) . . ? C85 C70 C104 119.8(3) . . ? C85 C70 C50 120.0(4) . . ? C104 C70 C50 108.5(3) . . ? C47 C71 C67 122.1(4) . . ? C47 C71 C30 121.4(4) . . ? C67 C71 C30 108.5(3) . . ? C113 C72 C123 120.8(3) . . ? C113 C72 C116 119.6(4) . . ? C123 C72 C116 108.6(3) . . ? C78 C73 C81 122.4(4) . . ? C78 C73 C60 121.5(4) . . ? C81 C73 C60 108.3(3) . . ? C109 C74 C119 122.2(4) . . ? C109 C74 C65 107.3(3) . . ? C119 C74 C65 120.4(4) . . ? C127 C75 C102 120.0(4) . . ? C127 C75 C59 119.6(4) . . ? C102 C75 C59 108.2(4) . . ? C101 C76 C50 122.1(4) . . ? C101 C76 C57 120.9(4) . . ? C50 C76 C57 106.0(3) . . ? C132 C77 C78 116.7(4) . . ? C132 C77 C121 118.5(4) . . ? C78 C77 C121 119.4(3) . . ? C73 C78 C67 115.4(4) . . ? C73 C78 C77 119.1(4) . . ? C67 C78 C77 119.8(4) . . ? C69 C79 C111 122.5(3) . . ? C69 C79 C94 121.4(3) . . ? C111 C79 C94 107.1(3) . . ? C91 C80 C44 119.9(3) . . ? C91 C80 H80 120.1 . . ? C44 C80 H80 120.1 . . ? C73 C81 C47 120.9(3) . . ? C73 C81 C133 107.7(4) . . ? C47 C81 C133 121.0(3) . . ? C68 C82 C93 121.4(3) . . ? C68 C82 C135 121.5(3) . . ? C93 C82 C135 107.0(4) . . ? C106 C83 C130 122.2(3) . . ? C106 C83 C84 122.1(3) . . ? C130 C83 C84 106.8(3) . . ? C129 C84 C112 121.9(4) . . ? C129 C84 C83 120.6(4) . . ? C112 C84 C83 109.1(3) . . ? C70 C85 C108 119.6(4) . . ? C70 C85 C126 120.6(3) . . ? C108 C85 C126 108.3(3) . . ? C50 C86 C136 120.5(3) . . ? C50 C86 C30 119.1(4) . . ? C136 C86 C30 108.2(3) . . ? C116 C87 C120 122.1(4) . . ? C116 C87 C92 106.9(3) . . ? C120 C87 C92 120.4(4) . . ? C134 C88 C122 120.1(4) . . ? C134 C88 H88 120.0 . . ? C122 C88 H88 120.0 . . ? C58 C89 C112 120.2(4) . . ? C58 C89 C130 119.3(4) . . ? C112 C89 C130 108.4(3) . . ? C104 C90 C128 118.3(3) . . ? C104 C90 C51 117.3(3) . . ? C128 C90 C51 120.1(3) . . ? C38 C91 C80 120.5(3) . . ? C38 C91 H91 119.7 . . ? C80 C91 H91 119.7 . . ? C65 C92 C123 119.8(4) . . ? C65 C92 C87 119.9(4) . . ? C123 C92 C87 109.3(3) . . ? C96 C93 C82 121.6(4) . . ? C96 C93 C137 121.3(4) . . ? C82 C93 C137 109.0(3) . . ? C52 C94 C107 122.2(4) . . ? C52 C94 C79 121.0(4) . . ? C107 C94 C79 108.8(3) . . ? C115 C95 C63 121.5(3) . . ? C115 C95 C117 121.1(3) . . ? C63 C95 C117 106.7(3) . . ? C93 C96 C55 115.8(3) . . ? C93 C96 C61 118.8(4) . . ? C55 C96 C61 120.4(3) . . ? C59 C97 C103 122.8(4) . . ? C59 C97 C113 106.5(3) . . ? C103 C97 C113 120.4(4) . . ? C17 C98 C134 120.0(4) . . ? C17 C98 H98 120.0 . . ? C134 C98 H98 120.0 . . ? C43 C99 C44 120.4(3) . . ? C43 C99 H99 119.8 . . ? C44 C99 H99 119.8 . . ? C57 C100 C64 119.9(4) . . ? C57 C100 C109 120.8(4) . . ? C64 C100 C109 109.3(3) . . ? C76 C101 C66 118.2(4) . . ? C76 C101 C129 117.0(3) . . ? C66 C101 C129 119.0(3) . . ? C75 C102 C118 122.4(4) . . ? C75 C102 C113 107.4(3) . . ? C118 C102 C113 119.7(4) . . ? C97 C103 C131 118.9(3) . . ? C97 C103 C48 117.3(3) . . ? C131 C103 C48 119.7(3) . . ? C90 C104 C70 121.7(3) . . ? C90 C104 C57 121.2(3) . . ? C70 C104 C57 106.1(3) . . ? C36 C105 C41 119.9(3) . . ? C36 C105 H105 120.0 . . ? C41 C105 H105 120.0 . . ? C83 C106 C115 117.6(3) . . ? C83 C106 C66 117.7(3) . . ? C115 C106 C66 120.7(3) . . ? C94 C107 C120 121.4(3) . . ? C94 C107 C58 107.8(3) . . ? C120 C107 C58 120.9(4) . . ? C128 C108 C85 121.9(3) . . ? C128 C108 C54 121.7(3) . . ? C85 C108 C54 105.9(3) . . ? C129 C109 C74 121.7(3) . . ? C129 C109 C100 120.1(4) . . ? C74 C109 C100 107.7(3) . . ? C121 C110 C45 120.8(4) . . ? C121 C110 C124 122.5(3) . . ? C45 C110 C124 106.2(4) . . ? C53 C111 C79 119.8(3) . . ? C53 C111 C58 119.5(4) . . ? C79 C111 C58 108.5(3) . . ? C119 C112 C84 121.6(3) . . ? C119 C112 C89 120.9(4) . . ? C84 C112 C89 107.8(3) . . ? C72 C113 C97 119.9(4) . . ? C72 C113 C102 121.6(4) . . ? C97 C113 C102 108.1(4) . . ? C59 C114 C62 118.7(4) . . ? C59 C114 C124 120.9(3) . . ? C62 C114 C124 108.3(3) . . ? C95 C115 C106 119.0(3) . . ? C95 C115 C47 117.0(3) . . ? C106 C115 C47 118.8(3) . . ? C87 C116 C52 121.6(4) . . ? C87 C116 C72 107.8(3) . . ? C52 C116 C72 119.9(4) . . ? C133 C117 C95 120.6(3) . . ? C133 C117 C138 120.6(3) . . ? C95 C117 C138 108.7(3) . . ? C102 C118 C52 117.6(4) . . ? C102 C118 C125 117.6(4) . . ? C52 C118 C125 119.8(3) . . ? C74 C119 C112 115.1(4) . . ? C74 C119 C120 118.9(4) . . ? C112 C119 C120 119.3(3) . . ? C87 C120 C107 115.4(4) . . ? C87 C120 C119 119.4(3) . . ? C107 C120 C119 118.3(4) . . ? C110 C121 C77 118.0(4) . . ? C110 C121 C68 116.5(4) . . ? C77 C121 C68 119.8(4) . . ? C88 C122 C56 119.4(4) . . ? C88 C122 H122 120.3 . . ? C56 C122 H122 120.3 . . ? C92 C123 C131 122.3(4) . . ? C92 C123 C72 106.4(3) . . ? C131 C123 C72 120.8(4) . . ? C135 C124 C110 120.2(4) . . ? C135 C124 C114 119.4(4) . . ? C110 C124 C114 108.4(3) . . ? C137 C125 C118 118.5(3) . . ? C137 C125 C69 117.2(3) . . ? C118 C125 C69 120.3(3) . . ? C136 C126 C132 120.8(4) . . ? C136 C126 C85 119.2(4) . . ? C132 C126 C85 108.4(3) . . ? C75 C127 C137 119.6(4) . . ? C75 C127 C135 120.4(3) . . ? C137 C127 C135 107.9(4) . . ? C108 C128 C90 118.1(3) . . ? C108 C128 C48 117.5(3) . . ? C90 C128 C48 120.0(3) . . ? C84 C129 C109 115.9(4) . . ? C84 C129 C101 119.0(4) . . ? C109 C129 C101 119.7(3) . . ? C63 C130 C83 119.5(4) . . ? C63 C130 C89 120.6(4) . . ? C83 C130 C89 107.6(3) . . ? C123 C131 C51 117.5(4) . . ? C123 C131 C103 117.7(3) . . ? C51 C131 C103 120.8(3) . . ? C77 C132 C126 122.2(4) . . ? C77 C132 C54 120.5(4) . . ? C126 C132 C54 106.4(3) . . ? C117 C133 C81 120.2(4) . . ? C117 C133 C55 120.1(4) . . ? C81 C133 C55 108.9(3) . . ? C88 C134 C98 120.1(4) . . ? C88 C134 H134 119.9 . . ? C98 C134 H134 120.0 . . ? C124 C135 C82 119.5(4) . . ? C124 C135 C127 119.9(4) . . ? C82 C135 C127 108.6(3) . . ? C126 C136 C67 118.7(4) . . ? C126 C136 C86 120.4(4) . . ? C67 C136 C86 108.8(3) . . ? C125 C137 C127 121.9(4) . . ? C125 C137 C93 121.4(3) . . ? C127 C137 C93 107.2(4) . . ? C61 C138 C53 122.0(3) . . ? C61 C138 C117 120.8(3) . . ? C53 C138 C117 106.4(3) . . ? _diffrn_measured_fraction_theta_max 0.949 _diffrn_reflns_theta_full 68.93 _diffrn_measured_fraction_theta_full 0.949 _refine_diff_density_max 1.566 _refine_diff_density_min -1.088 _refine_diff_density_rms 0.080