Supplementary Material (ESI) for Dalton Transactions This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Hongyun Zhang' _publ_contact_author_address ;Department of Chemistry Zhengzhou, 450002 P.R.China ; _publ_contact_author_email wzhy917@zzu.edu.cn _publ_section_title ; The first 1D twofold interpenetrating metal-organic network generated by 1D triple helical chains with nanosized cages ; loop_ _publ_author_name 'Hongyun Zhang' 'Hongwei Hou' 'ZhongJun Li' 'Caoyuan Niu' 'Ben-Lai Wu' 'Xianfu Zheng' data_c:\7\a _database_code_depnum_ccdc_archive 'CCDC 648776' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C75 H66 Ag4 F24 N18 O9 P4' _chemical_formula_weight 2374.82 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M R-3c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' 'y, x, -z+1/2' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'x-y+2/3, -y+1/3, -z+5/6' '-x+2/3, -x+y+1/3, -z+5/6' 'y+2/3, x+1/3, -z+5/6' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'x-y+1/3, -y+2/3, -z+7/6' '-x+1/3, -x+y+2/3, -z+7/6' 'y+1/3, x+2/3, -z+7/6' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-x+y, y, z-1/2' 'x, x-y, z-1/2' '-y, -x, z-1/2' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-x+y+2/3, y+1/3, z-1/6' 'x+2/3, x-y+1/3, z-1/6' '-y+2/3, -x+1/3, z-1/6' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' '-x+y+1/3, y+2/3, z+1/6' 'x+1/3, x-y+2/3, z+1/6' '-y+1/3, -x+2/3, z+1/6' _cell_length_a 25.800(3) _cell_length_b 25.800(3) _cell_length_c 22.612(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 13035(4) _cell_formula_units_Z 6 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 2.02 _cell_measurement_theta_max 25.50 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.43 _exptl_crystal_size_mid 0.32 _exptl_crystal_size_min 0.31 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.815 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 7068 _exptl_absorpt_coefficient_mu 1.080 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6538 _exptl_absorpt_correction_T_max 0.7307 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23340 _diffrn_reflns_av_R_equivalents 0.0257 _diffrn_reflns_av_sigmaI/netI 0.0135 _diffrn_reflns_limit_h_min -22 _diffrn_reflns_limit_h_max 31 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 2.02 _diffrn_reflns_theta_max 25.50 _reflns_number_total 2706 _reflns_number_gt 2303 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0707P)^2^+51.0022P] 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 2706 _refine_ls_number_parameters 211 _refine_ls_number_restraints 13 _refine_ls_R_factor_all 0.0441 _refine_ls_R_factor_gt 0.0372 _refine_ls_wR_factor_ref 0.1206 _refine_ls_wR_factor_gt 0.1134 _refine_ls_goodness_of_fit_ref 1.037 _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 0.850101(18) 0.516768(18) 1.0833 0.05177(18) Uani 1 2 d S . . Ag2 Ag 0.6667 0.3333 0.5833 0.0471(2) Uani 1 6 d S . . P1 P 0.6667 0.3333 0.8333 0.0405(5) Uani 1 6 d S . . P2 P 0.65132(9) 0.0000 0.7500 0.1012(8) Uani 1 2 d S . . F1 F 0.70387(13) 0.39055(12) 0.87297(14) 0.0844(9) Uani 1 1 d . . . F2 F 0.6386(4) 0.0514(4) 0.7481(4) 0.258(5) Uani 1 1 d . . . F3 F 0.6697(3) -0.0468(3) 0.7494(5) 0.258(5) Uani 1 1 d . . . F4 F 0.6524(5) 0.0053(3) 0.8161(3) 0.257(5) Uani 1 1 d . . . O1 O 0.78844(13) 0.58979(11) 0.63860(9) 0.0489(6) Uani 1 1 d . . . O2 O 0.6667 0.0961(7) 0.5833 0.253(6) Uani 1 2 d SDU . . N1 N 0.83328(13) 0.53055(12) 0.99314(11) 0.0375(6) Uani 1 1 d . . . N2 N 0.72009(16) 0.42889(16) 0.64295(14) 0.0549(8) Uani 1 1 d . . . N3 N 0.81427(13) 0.62156(12) 0.73329(12) 0.0380(6) Uani 1 1 d . . . H3A H 0.8266 0.6583 0.7211 0.046 Uiso 1 1 calc R . . C1 C 0.82023(15) 0.61419(14) 0.79133(14) 0.0368(7) Uani 1 1 d . . . C2 C 0.80076(14) 0.55761(14) 0.81301(13) 0.0334(7) Uani 1 1 d . . . C3 C 0.77407(14) 0.50942(14) 0.77371(13) 0.0329(6) Uani 1 1 d . . . H3 H 0.7590 0.4699 0.7883 0.039 Uiso 1 1 calc R . . C4 C 0.76914(14) 0.51806(14) 0.71427(13) 0.0322(6) Uani 1 1 d . . . C5 C 0.79079(15) 0.57713(14) 0.69115(13) 0.0363(7) Uani 1 1 d . . . C6 C 0.81150(14) 0.54832(13) 0.87616(13) 0.0332(7) Uani 1 1 d . . . C7 C 0.86887(15) 0.56673(16) 0.89587(15) 0.0403(7) Uani 1 1 d . . . H7 H 0.9018 0.5856 0.8694 0.048 Uiso 1 1 calc R . . C8 C 0.87798(16) 0.55751(16) 0.95431(15) 0.0400(8) Uani 1 1 d . . . H8 H 0.9177 0.5709 0.9674 0.048 Uiso 1 1 calc R . . C9 C 0.77808(16) 0.51253(15) 0.97444(14) 0.0432(8) Uani 1 1 d . . . H9 H 0.7459 0.4931 1.0016 0.052 Uiso 1 1 calc R . . C10 C 0.76550(15) 0.52091(15) 0.91677(14) 0.0417(8) Uani 1 1 d . . . H10 H 0.7254 0.5079 0.9052 0.050 Uiso 1 1 calc R . . C11 C 0.74231(16) 0.46878(15) 0.67420(15) 0.0378(7) Uani 1 1 d . . . C12 C 0.8457(2) 0.66930(16) 0.82801(16) 0.0567(10) Uani 1 1 d . . . H12A H 0.8625 0.7045 0.8022 0.085 Uiso 1 1 calc R . . H12B H 0.8772 0.6711 0.8535 0.085 Uiso 1 1 calc R . . H12C H 0.8140 0.6686 0.8525 0.085 Uiso 1 1 calc R . . C13 C 0.6493(13) 0.1134(14) 0.6333(10) 0.216(12) Uani 0.50 1 d PDU . . H13A H 0.6794 0.1235 0.6643 0.325 Uiso 0.50 1 calc PR . . H13B H 0.6107 0.0805 0.6469 0.325 Uiso 0.50 1 calc PR . . H13C H 0.6454 0.1484 0.6244 0.325 Uiso 0.50 1 calc PR . . 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 0.0664(2) 0.0664(2) 0.0214(2) 0.00656(8) -0.00656(8) 0.0325(2) Ag2 0.0441(3) 0.0441(3) 0.0532(4) 0.000 0.000 0.02205(13) P1 0.0313(6) 0.0313(6) 0.0589(14) 0.000 0.000 0.0157(3) P2 0.0858(10) 0.1160(18) 0.1117(19) -0.0643(15) -0.0322(8) 0.0580(9) F1 0.0788(18) 0.0591(16) 0.103(2) -0.0315(15) -0.0238(16) 0.0252(14) F2 0.328(9) 0.291(9) 0.299(10) -0.128(8) -0.132(9) 0.262(9) F3 0.207(7) 0.122(4) 0.469(15) -0.056(7) 0.008(8) 0.100(5) F4 0.423(14) 0.162(6) 0.124(5) -0.045(4) -0.029(7) 0.101(8) O1 0.0717(17) 0.0444(13) 0.0226(11) 0.0050(10) -0.0068(11) 0.0230(12) O2 0.262(9) 0.266(9) 0.231(10) 0.012(4) 0.024(8) 0.131(5) N1 0.0541(17) 0.0374(14) 0.0218(13) 0.0018(10) -0.0049(12) 0.0236(13) N2 0.070(2) 0.0541(19) 0.0414(17) -0.0163(16) -0.0105(16) 0.0319(17) N3 0.0532(16) 0.0288(13) 0.0244(12) 0.0042(10) -0.0059(11) 0.0148(12) C1 0.0429(17) 0.0340(16) 0.0252(15) 0.0030(12) -0.0056(13) 0.0129(14) C2 0.0392(16) 0.0332(15) 0.0234(15) 0.0021(12) -0.0043(12) 0.0147(13) C3 0.0380(16) 0.0320(15) 0.0291(15) 0.0032(12) -0.0022(12) 0.0179(13) C4 0.0384(16) 0.0337(15) 0.0257(14) -0.0021(12) -0.0047(12) 0.0188(13) C5 0.0434(17) 0.0387(17) 0.0257(15) 0.0023(13) -0.0030(13) 0.0196(14) C6 0.0430(17) 0.0304(15) 0.0239(15) 0.0014(11) -0.0040(12) 0.0166(13) C7 0.0409(18) 0.0480(19) 0.0289(16) 0.0051(14) 0.0027(13) 0.0200(15) C8 0.0439(18) 0.0463(19) 0.0310(17) 0.0021(14) -0.0055(14) 0.0235(16) C9 0.0448(19) 0.0430(18) 0.0298(17) 0.0086(14) 0.0026(14) 0.0131(15) C10 0.0358(17) 0.0438(18) 0.0327(17) 0.0069(14) -0.0044(13) 0.0102(14) C11 0.0481(19) 0.0417(18) 0.0281(17) -0.0012(14) -0.0034(14) 0.0258(15) C12 0.084(3) 0.0355(19) 0.036(2) -0.0034(15) -0.0129(19) 0.0190(19) C13 0.212(15) 0.213(15) 0.226(16) -0.006(9) 0.016(9) 0.108(10) _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 2.151(3) . ? Ag1 N1 2.151(3) 18_546 ? Ag2 N2 2.529(3) 3_665 ? Ag2 N2 2.529(3) 16 ? Ag2 N2 2.529(3) 18_545 ? Ag2 N2 2.529(3) 17_655 ? Ag2 N2 2.529(3) . ? Ag2 N2 2.529(3) 2_655 ? P1 F1 1.577(2) 3_665 ? P1 F1 1.577(2) 32_556 ? P1 F1 1.577(2) 31_656 ? P1 F1 1.577(2) 33_546 ? P1 F1 1.577(3) . ? P1 F1 1.577(2) 2_655 ? P2 F4 1.499(6) 4_556 ? P2 F4 1.499(6) . ? P2 F3 1.502(6) 4_556 ? P2 F3 1.502(6) . ? P2 F2 1.518(6) 4_556 ? P2 F2 1.518(6) . ? O1 C5 1.242(4) . ? O2 C13 1.369(10) 17_655 ? O2 C13 1.369(10) . ? N1 C9 1.327(5) . ? N1 C8 1.335(5) . ? N2 C11 1.139(5) . ? N3 C1 1.346(4) . ? N3 C5 1.377(4) . ? N3 H3A 0.8800 . ? C1 C2 1.375(4) . ? C1 C12 1.486(5) . ? C2 C3 1.398(4) . ? C2 C6 1.497(4) . ? C3 C4 1.379(4) . ? C3 H3 0.9500 . ? C4 C11 1.427(4) . ? C4 C5 1.434(4) . ? C6 C7 1.383(5) . ? C6 C10 1.383(5) . ? C7 C8 1.383(5) . ? C7 H7 0.9500 . ? C8 H8 0.9500 . ? C9 C10 1.387(4) . ? C9 H9 0.9500 . ? C10 H10 0.9500 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 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 N1 177.91(15) . 18_546 ? N2 Ag2 N2 81.09(17) 3_665 16 ? N2 Ag2 N2 90.78(16) 3_665 18_545 ? N2 Ag2 N2 94.23(11) 16 18_545 ? N2 Ag2 N2 173.40(17) 3_665 17_655 ? N2 Ag2 N2 94.24(11) 16 17_655 ? N2 Ag2 N2 94.24(11) 18_545 17_655 ? N2 Ag2 N2 94.24(11) 3_665 . ? N2 Ag2 N2 173.39(17) 16 . ? N2 Ag2 N2 81.10(17) 18_545 . ? N2 Ag2 N2 90.78(16) 17_655 . ? N2 Ag2 N2 94.24(11) 3_665 2_655 ? N2 Ag2 N2 90.78(16) 16 2_655 ? N2 Ag2 N2 173.40(17) 18_545 2_655 ? N2 Ag2 N2 81.10(17) 17_655 2_655 ? N2 Ag2 N2 94.24(11) . 2_655 ? F1 P1 F1 89.11(17) 3_665 32_556 ? F1 P1 F1 89.11(17) 3_665 31_656 ? F1 P1 F1 90.88(17) 32_556 31_656 ? F1 P1 F1 179.996(1) 3_665 33_546 ? F1 P1 F1 90.88(17) 32_556 33_546 ? F1 P1 F1 90.88(17) 31_656 33_546 ? F1 P1 F1 90.88(17) 3_665 . ? F1 P1 F1 89.12(17) 32_556 . ? F1 P1 F1 179.996(1) 31_656 . ? F1 P1 F1 89.12(17) 33_546 . ? F1 P1 F1 90.88(17) 3_665 2_655 ? F1 P1 F1 179.997(1) 32_556 2_655 ? F1 P1 F1 89.12(17) 31_656 2_655 ? F1 P1 F1 89.12(17) 33_546 2_655 ? F1 P1 F1 90.88(17) . 2_655 ? F4 P2 F4 176.9(9) 4_556 . ? F4 P2 F3 94.8(6) 4_556 4_556 ? F4 P2 F3 87.4(5) . 4_556 ? F4 P2 F3 87.4(5) 4_556 . ? F4 P2 F3 94.8(6) . . ? F3 P2 F3 88.3(6) 4_556 . ? F4 P2 F2 87.2(5) 4_556 4_556 ? F4 P2 F2 90.8(5) . 4_556 ? F3 P2 F2 174.5(5) 4_556 4_556 ? F3 P2 F2 86.6(4) . 4_556 ? F4 P2 F2 90.8(5) 4_556 . ? F4 P2 F2 87.2(4) . . ? F3 P2 F2 86.6(4) 4_556 . ? F3 P2 F2 174.5(6) . . ? F2 P2 F2 98.5(7) 4_556 . ? C13 O2 C13 121(3) 17_655 . ? C9 N1 C8 118.0(3) . . ? C9 N1 Ag1 120.9(2) . . ? C8 N1 Ag1 121.1(2) . . ? C11 N2 Ag2 173.9(3) . . ? C1 N3 C5 126.2(3) . . ? C1 N3 H3A 116.9 . . ? C5 N3 H3A 116.9 . . ? N3 C1 C2 119.4(3) . . ? N3 C1 C12 115.9(3) . . ? C2 C1 C12 124.7(3) . . ? C1 C2 C3 118.3(3) . . ? C1 C2 C6 120.8(3) . . ? C3 C2 C6 120.8(3) . . ? C4 C3 C2 121.4(3) . . ? C4 C3 H3 119.3 . . ? C2 C3 H3 119.3 . . ? C3 C4 C11 121.2(3) . . ? C3 C4 C5 120.6(3) . . ? C11 C4 C5 118.2(3) . . ? O1 C5 N3 120.2(3) . . ? O1 C5 C4 125.7(3) . . ? N3 C5 C4 114.1(3) . . ? C7 C6 C10 117.3(3) . . ? C7 C6 C2 120.3(3) . . ? C10 C6 C2 122.4(3) . . ? C6 C7 C8 119.6(3) . . ? C6 C7 H7 120.2 . . ? C8 C7 H7 120.2 . . ? N1 C8 C7 122.7(3) . . ? N1 C8 H8 118.6 . . ? C7 C8 H8 118.6 . . ? N1 C9 C10 122.6(3) . . ? N1 C9 H9 118.7 . . ? C10 C9 H9 118.7 . . ? C6 C10 C9 119.8(3) . . ? C6 C10 H10 120.1 . . ? C9 C10 H10 120.1 . . ? N2 C11 C4 178.7(5) . . ? C1 C12 H12A 109.5 . . ? C1 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C1 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? O2 C13 H13A 109.5 . . ? O2 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? O2 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 Ag1 N1 C9 35.1(3) 18_546 . . . ? N1 Ag1 N1 C8 -145.0(3) 18_546 . . . ? N2 Ag2 N2 C11 -48(3) 3_665 . . . ? N2 Ag2 N2 C11 -93(3) 16 . . . ? N2 Ag2 N2 C11 -138(3) 18_545 . . . ? N2 Ag2 N2 C11 127(3) 17_655 . . . ? N2 Ag2 N2 C11 46(3) 2_655 . . . ? C5 N3 C1 C2 -1.2(5) . . . . ? C5 N3 C1 C12 -178.6(3) . . . . ? N3 C1 C2 C3 -1.4(5) . . . . ? C12 C1 C2 C3 175.7(4) . . . . ? N3 C1 C2 C6 174.6(3) . . . . ? C12 C1 C2 C6 -8.2(6) . . . . ? C1 C2 C3 C4 2.4(5) . . . . ? C6 C2 C3 C4 -173.7(3) . . . . ? C2 C3 C4 C11 179.5(3) . . . . ? C2 C3 C4 C5 -0.8(5) . . . . ? C1 N3 C5 O1 -179.0(3) . . . . ? C1 N3 C5 C4 2.7(5) . . . . ? C3 C4 C5 O1 -179.8(3) . . . . ? C11 C4 C5 O1 0.0(5) . . . . ? C3 C4 C5 N3 -1.6(4) . . . . ? C11 C4 C5 N3 178.2(3) . . . . ? C1 C2 C6 C7 -68.8(4) . . . . ? C3 C2 C6 C7 107.1(4) . . . . ? C1 C2 C6 C10 111.9(4) . . . . ? C3 C2 C6 C10 -72.2(4) . . . . ? C10 C6 C7 C8 -0.3(5) . . . . ? C2 C6 C7 C8 -179.7(3) . . . . ? C9 N1 C8 C7 -0.6(5) . . . . ? Ag1 N1 C8 C7 179.5(3) . . . . ? C6 C7 C8 N1 0.9(5) . . . . ? C8 N1 C9 C10 -0.3(5) . . . . ? Ag1 N1 C9 C10 179.6(3) . . . . ? C7 C6 C10 C9 -0.5(5) . . . . ? C2 C6 C10 C9 178.8(3) . . . . ? N1 C9 C10 C6 0.9(6) . . . . ? Ag2 N2 C11 C4 -30(22) . . . . ? C3 C4 C11 N2 44(20) . . . . ? C5 C4 C11 N2 -136(20) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N3 H3A O1 0.88 2.01 2.863(4) 163.0 25_666 _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 25.50 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.802 _refine_diff_density_min -0.615 _refine_diff_density_rms 0.079