data_mm2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C30 H28 Ag2 N4 O9' _chemical_formula_weight 804.30 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' 'Ag' 'Ag' -0.8971 1.1015 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M Cc 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 14.2981(7) _cell_length_b 17.5489(8) _cell_length_c 13.4398(7) _cell_angle_alpha 90.00 _cell_angle_beta 114.6570(10) _cell_angle_gamma 90.00 _cell_volume 3064.8(3) _cell_formula_units_Z 4 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 9933 _cell_measurement_theta_min 3.14 _cell_measurement_theta_max 27.49 _exptl_crystal_description plant _exptl_crystal_colour colorless _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.743 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1608 _exptl_absorpt_coefficient_mu 1.338 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.732 _exptl_absorpt_correction_T_max 0.874 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 15584 _diffrn_reflns_av_R_equivalents 0.0236 _diffrn_reflns_av_sigmaI/netI 0.0340 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.86 _diffrn_reflns_theta_max 27.54 _reflns_number_total 6509 _reflns_number_gt 6051 _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^)+(0.0524P)^2^+4.0660P] 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 0.02(3) _refine_ls_number_reflns 6509 _refine_ls_number_parameters 413 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0401 _refine_ls_R_factor_gt 0.0362 _refine_ls_wR_factor_ref 0.0949 _refine_ls_wR_factor_gt 0.0922 _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_restrained_S_all 1.054 _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 O9 O 0.6098(8) 0.5629(6) 0.4304(11) 0.102(4) Uani 0.50 1 d P . . H9A H 0.5649 0.6001 0.3925 0.154 Uiso 0.50 1 d PR . . H9B H 0.6030 0.5503 0.4888 0.154 Uiso 0.50 1 d PR . . O7 O 0.4175(5) 0.6321(3) 0.3127(5) 0.0932(16) Uani 1 1 d . . . H7A H 0.3938 0.6424 0.2448 0.140 Uiso 1 1 d R . . H7B H 0.3826 0.5990 0.3288 0.140 Uiso 1 1 d R . . Ag1 Ag 0.75174(3) 0.853696(19) 0.05884(3) 0.04849(12) Uani 1 1 d . . . Ag2 Ag 0.97330(2) 0.63512(2) -0.16547(3) 0.04735(11) Uani 1 1 d . . . O1 O 0.3541(4) 0.5976(3) 0.0904(4) 0.0725(13) Uani 1 1 d . . . O2 O 0.3938(4) 0.5381(2) -0.0301(4) 0.0734(13) Uani 1 1 d . . . O3 O 1.0844(3) 0.5260(2) 0.3346(3) 0.0533(9) Uani 1 1 d . . . O4 O 0.9217(3) 0.49234(19) 0.2894(4) 0.0578(10) Uani 1 1 d . . . O5 O 0.7811(3) 0.9133(2) -0.0897(3) 0.0603(10) Uani 1 1 d . . . H5A H 0.7247 0.9097 -0.1465 0.090 Uiso 1 1 d R . . H5B H 0.7934 0.9575 -0.0613 0.090 Uiso 1 1 d R . . O6 O 0.7095(4) 0.9864(3) 0.0736(5) 0.0859(15) Uani 1 1 d . . . N1 N 0.5932(3) 0.77439(19) 0.0029(3) 0.0295(7) Uani 1 1 d . . . N2 N 0.8366(3) 0.6529(2) -0.1304(3) 0.0379(8) Uani 1 1 d . . . N3 N 0.8708(2) 0.76344(18) 0.1717(3) 0.0281(6) Uani 1 1 d . . . N4 N 0.6062(3) 0.8156(2) 0.3188(3) 0.0334(7) Uani 1 1 d . . . C1 C 0.3644(3) 0.7632(3) 0.0667(4) 0.0442(11) Uani 1 1 d . . . H1 H 0.3192 0.7280 0.0742 0.053 Uiso 1 1 calc R . . C2 C 0.3524(4) 0.8385(3) 0.0807(4) 0.0491(12) Uani 1 1 d . . . H2 H 0.2977 0.8544 0.0959 0.059 Uiso 1 1 calc R . . C3 C 0.4204(4) 0.8922(3) 0.0729(4) 0.0476(11) Uani 1 1 d . . . H3 H 0.4122 0.9450 0.0859 0.057 Uiso 1 1 d R . . C4 C 0.4998(4) 0.8706(3) 0.0489(4) 0.0380(10) Uani 1 1 d . . . H4 H 0.5454 0.9069 0.0445 0.046 Uiso 1 1 calc R . . C5 C 0.5131(3) 0.7932(2) 0.0307(3) 0.0303(8) Uani 1 1 d . . . C6 C 0.4459(3) 0.7378(3) 0.0407(3) 0.0321(8) Uani 1 1 d . . . C7 C 0.4616(3) 0.6604(3) 0.0204(3) 0.0344(9) Uani 1 1 d . . . C8 C 0.5395(3) 0.6444(2) -0.0106(4) 0.0351(9) Uani 1 1 d . . . H8 H 0.5511 0.5928 -0.0264 0.042 Uiso 1 1 d R . . C9 C 0.6032(3) 0.7025(2) -0.0196(3) 0.0297(8) Uani 1 1 d . . . C10 C 0.3979(3) 0.5926(3) 0.0297(4) 0.0425(10) Uani 1 1 d . . . C11 C 0.6848(3) 0.6841(2) -0.0571(3) 0.0309(8) Uani 1 1 d . . . C12 C 0.7379(3) 0.6162(2) -0.0323(4) 0.0348(8) Uani 1 1 d . . . H12 H 0.7235 0.5797 0.0095 0.042 Uiso 1 1 calc R . . C13 C 0.8126(3) 0.6028(2) -0.0699(4) 0.0378(9) Uani 1 1 d . . . H13 H 0.8479 0.5568 -0.0523 0.045 Uiso 1 1 calc R . . C14 C 0.7829(4) 0.7179(3) -0.1579(4) 0.0410(10) Uani 1 1 d . . . H14 H 0.7975 0.7527 -0.2017 0.049 Uiso 1 1 calc R . . C15 C 0.7067(2) 0.7355(2) -0.1241(3) 0.0347(9) Uani 1 1 d . . . H15 H 0.6704 0.7810 -0.1455 0.042 Uiso 1 1 calc R . . C18 C 1.0624(2) 0.7517(2) 0.0599(3) 0.0473(12) Uani 1 1 d R . . H18 H 1.0894 0.7836 0.0202 0.057 Uiso 1 1 d R . . C19 C 0.9857(4) 0.7787(3) 0.0845(4) 0.0398(10) Uani 1 1 d . . . H19 H 0.9583 0.8268 0.0608 0.048 Uiso 1 1 calc R . . C20 C 0.9474(3) 0.7333(2) 0.1467(3) 0.0303(8) Uani 1 1 d . . . C21 C 0.9907(3) 0.6596(2) 0.1829(3) 0.0284(8) Uani 1 1 d . . . C22 C 0.9516(3) 0.6171(2) 0.2470(3) 0.0280(7) Uani 1 1 d . . . C23 C 0.8754(3) 0.6482(2) 0.2703(3) 0.0270(8) Uani 1 1 d . . . H23 H 0.8484 0.6204 0.3112 0.032 Uiso 1 1 calc R . . C24 C 0.8375(3) 0.7208(2) 0.2336(3) 0.0270(7) Uani 1 1 d . . . C25 C 0.9897(3) 0.5384(2) 0.2936(4) 0.0365(9) Uani 1 1 d . . . C26 C 0.7569(3) 0.7542(2) 0.2624(3) 0.0280(8) Uani 1 1 d . . . C27 C 0.6829(3) 0.7080(2) 0.2744(3) 0.0312(8) Uani 1 1 d . . . H27 H 0.6832 0.6556 0.2640 0.037 Uiso 1 1 calc R . . C28 C 0.6097(3) 0.7408(3) 0.3017(4) 0.0370(9) Uani 1 1 d . . . H28 H 0.5596 0.7081 0.3101 0.044 Uiso 1 1 d R . . C29 C 0.6785(4) 0.8601(2) 0.3094(4) 0.0346(9) Uani 1 1 d . . . H29 H 0.6781 0.9136 0.3242 0.041 Uiso 1 1 d R . . C30 C 0.7543(3) 0.8322(2) 0.2811(3) 0.0308(8) Uani 1 1 d . . . H30 H 0.8028 0.8648 0.2747 0.037 Uiso 1 1 calc R . . O10 O 0.7085(5) 0.4878(4) 0.1491(5) 0.120(2) Uani 1 1 d . . . H10A H 0.6773 0.4829 0.1904 0.180 Uiso 1 1 d R . . H10B H 0.7691 0.4974 0.1964 0.180 Uiso 1 1 d R . . C16 C 1.0676(3) 0.6329(3) 0.1501(4) 0.0371(9) Uani 1 1 d . . . H16 H 1.0943 0.5841 0.1696 0.045 Uiso 1 1 calc R . . C17 C 1.1026(3) 0.6785(3) 0.0899(4) 0.0433(11) Uani 1 1 d . . . H17 H 1.1531 0.6607 0.0691 0.052 Uiso 1 1 calc R . . H6A H 0.7551 1.0195 0.0795 0.065 Uiso 1 1 d R . . H6B H 0.6754 0.9824 0.0049 0.065 Uiso 1 1 d R . . O8 O 0.5691(12) 0.4848(12) 0.2387(11) 0.155(8) Uani 0.50 1 d P . . H8A H 0.5167 0.5121 0.2024 0.233 Uiso 0.50 1 d PR . . H8B H 0.5823 0.5093 0.2977 0.233 Uiso 0.50 1 d 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 O9 0.074(7) 0.066(6) 0.131(9) 0.025(6) 0.008(6) 0.013(5) O7 0.102(4) 0.094(4) 0.089(4) -0.010(3) 0.046(3) -0.015(3) Ag1 0.0592(3) 0.03474(17) 0.0572(2) 0.01216(16) 0.02994(19) 0.00523(15) Ag2 0.0424(2) 0.04491(19) 0.0712(3) -0.00966(18) 0.03996(19) -0.01385(16) O1 0.082(3) 0.080(3) 0.077(3) -0.011(2) 0.055(2) -0.037(3) O2 0.072(3) 0.043(2) 0.128(4) -0.020(2) 0.065(3) -0.0254(19) O3 0.0427(19) 0.0438(19) 0.069(2) 0.0129(16) 0.0185(16) 0.0202(15) O4 0.051(2) 0.0324(17) 0.100(3) 0.0130(18) 0.041(2) 0.0111(15) O5 0.060(2) 0.0382(19) 0.072(2) 0.0100(17) 0.0170(19) -0.0079(16) O6 0.102(4) 0.050(2) 0.136(4) 0.000(3) 0.079(3) -0.013(2) N1 0.0284(17) 0.0316(17) 0.0308(16) -0.0002(13) 0.0146(14) -0.0017(13) N2 0.036(2) 0.040(2) 0.047(2) -0.0075(15) 0.0255(17) -0.0067(15) N3 0.0220(15) 0.0289(16) 0.0344(17) 0.0002(13) 0.0129(13) 0.0019(12) N4 0.0301(18) 0.0378(19) 0.0389(18) 0.0003(15) 0.0208(15) 0.0109(14) C1 0.026(2) 0.067(3) 0.042(2) -0.002(2) 0.0171(18) 0.001(2) C2 0.038(3) 0.069(3) 0.046(3) 0.001(2) 0.023(2) 0.015(2) C3 0.050(3) 0.051(3) 0.041(2) -0.001(2) 0.018(2) 0.016(2) C4 0.041(3) 0.038(2) 0.035(2) 0.0000(17) 0.017(2) 0.0021(18) C5 0.0264(19) 0.036(2) 0.0266(18) 0.0056(15) 0.0092(15) 0.0017(16) C6 0.023(2) 0.044(2) 0.0283(19) 0.0050(16) 0.0100(16) 0.0007(16) C7 0.027(2) 0.041(2) 0.034(2) -0.0003(17) 0.0116(17) -0.0093(17) C8 0.030(2) 0.031(2) 0.046(2) 0.0007(17) 0.0175(19) -0.0038(15) C9 0.0245(18) 0.033(2) 0.0330(19) 0.0004(15) 0.0131(15) -0.0011(15) C10 0.030(2) 0.043(3) 0.056(3) 0.007(2) 0.020(2) -0.0109(18) C11 0.0246(19) 0.036(2) 0.0331(19) -0.0044(15) 0.0130(16) -0.0078(15) C12 0.035(2) 0.0293(19) 0.045(2) 0.0022(17) 0.0218(18) -0.0027(16) C13 0.039(2) 0.0264(19) 0.056(3) -0.0018(18) 0.028(2) -0.0016(16) C14 0.047(3) 0.037(2) 0.052(3) 0.0041(19) 0.033(2) -0.0033(19) C15 0.037(2) 0.032(2) 0.039(2) 0.0056(17) 0.0197(18) 0.0021(17) C18 0.041(3) 0.060(3) 0.049(3) 0.002(2) 0.028(2) -0.005(2) C19 0.038(3) 0.040(2) 0.047(3) 0.0052(19) 0.024(2) -0.0008(18) C20 0.026(2) 0.035(2) 0.0324(19) -0.0028(15) 0.0138(16) -0.0006(15) C21 0.0209(18) 0.0347(19) 0.0306(18) -0.0055(15) 0.0116(15) 0.0002(14) C22 0.0256(19) 0.0272(18) 0.0285(17) -0.0030(14) 0.0088(15) 0.0049(14) C23 0.0254(19) 0.0309(19) 0.0276(18) 0.0018(14) 0.0138(15) 0.0065(14) C24 0.0234(18) 0.0307(19) 0.0266(17) -0.0010(14) 0.0102(15) 0.0034(14) C25 0.040(2) 0.030(2) 0.046(2) 0.0025(17) 0.0239(19) 0.0124(17) C26 0.0256(19) 0.0308(19) 0.0288(19) 0.0017(15) 0.0124(16) 0.0047(15) C27 0.0297(19) 0.0271(19) 0.038(2) 0.0013(15) 0.0147(16) 0.0034(15) C28 0.036(2) 0.038(2) 0.046(2) 0.0102(17) 0.0252(19) 0.0073(17) C29 0.036(2) 0.030(2) 0.041(2) -0.0005(16) 0.020(2) 0.0102(16) C30 0.028(2) 0.032(2) 0.035(2) -0.0013(16) 0.0161(17) 0.0028(16) O10 0.086(4) 0.137(6) 0.111(5) 0.042(4) 0.016(3) -0.005(4) C16 0.030(2) 0.043(2) 0.040(2) -0.0057(18) 0.0166(18) 0.0059(17) C17 0.029(2) 0.064(3) 0.046(2) -0.005(2) 0.0240(19) -0.001(2) O8 0.142(13) 0.237(19) 0.086(8) 0.072(10) 0.046(8) 0.110(13) _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 O9 H9A 0.9082 . ? O9 H9B 0.8587 . ? O7 H7A 0.8500 . ? O7 H7B 0.8502 . ? Ag1 N3 2.356(3) . ? Ag1 O6 2.435(5) . ? Ag1 O5 2.441(4) . ? Ag1 N1 2.494(3) . ? Ag2 N4 2.177(3) 4_564 ? Ag2 N2 2.215(4) . ? Ag2 O4 2.354(3) 2_564 ? O1 C10 1.221(6) . ? O2 C10 1.236(6) . ? O3 C25 1.250(6) . ? O4 C25 1.248(6) . ? O4 Ag2 2.354(3) 2_565 ? O5 H5A 0.8500 . ? O5 H5B 0.8500 . ? O6 H6A 0.8511 . ? O6 H6B 0.8483 . ? N1 C9 1.319(5) . ? N1 C5 1.384(5) . ? N2 C13 1.336(6) . ? N2 C14 1.339(6) . ? N3 C24 1.345(5) . ? N3 C20 1.377(5) . ? N4 C28 1.337(6) . ? N4 C29 1.343(6) . ? N4 Ag2 2.177(3) 4_465 ? C1 C2 1.356(8) . ? C1 C6 1.421(6) . ? C1 H1 0.9300 . ? C2 C3 1.389(8) . ? C2 H2 0.9300 . ? C3 C4 1.358(7) . ? C3 H3 0.9599 . ? C4 C5 1.407(6) . ? C4 H4 0.9300 . ? C5 C6 1.412(6) . ? C6 C7 1.422(6) . ? C7 C8 1.371(6) . ? C7 C10 1.535(6) . ? C8 C9 1.405(6) . ? C8 H8 0.9600 . ? C9 C11 1.486(6) . ? C11 C12 1.378(6) . ? C11 C15 1.399(5) . ? C12 C13 1.380(6) . ? C12 H12 0.9300 . ? C13 H13 0.9300 . ? C14 C15 1.379(6) . ? C14 H14 0.9300 . ? C15 H15 0.9300 . ? C18 C19 1.356(6) . ? C18 C17 1.397(7) . ? C18 H18 0.9600 . ? C19 C20 1.419(6) . ? C19 H19 0.9300 . ? C20 C21 1.429(6) . ? C21 C22 1.419(6) . ? C21 C16 1.423(6) . ? C22 C23 1.367(5) . ? C22 C25 1.520(5) . ? C23 C24 1.393(5) . ? C23 H23 0.9300 . ? C24 C26 1.480(5) . ? C26 C27 1.395(6) . ? C26 C30 1.396(6) . ? C27 C28 1.372(6) . ? C27 H27 0.9300 . ? C28 H28 0.9599 . ? C29 C30 1.379(6) . ? C29 H29 0.9600 . ? C30 H30 0.9300 . ? O10 H10A 0.8499 . ? O10 H10B 0.8500 . ? C16 C17 1.372(7) . ? C16 H16 0.9300 . ? C17 H17 0.9300 . ? O8 H8A 0.8500 . ? O8 H8B 0.8501 . ? 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 H9A O9 H9B 112.0 . . ? H7A O7 H7B 113.8 . . ? N3 Ag1 O6 136.69(17) . . ? N3 Ag1 O5 119.33(13) . . ? O6 Ag1 O5 77.88(16) . . ? N3 Ag1 N1 98.10(11) . . ? O6 Ag1 N1 109.46(15) . . ? O5 Ag1 N1 115.93(12) . . ? N4 Ag2 N2 148.01(15) 4_564 . ? N4 Ag2 O4 123.01(14) 4_564 2_564 ? N2 Ag2 O4 88.80(13) . 2_564 ? C25 O4 Ag2 116.7(3) . 2_565 ? Ag1 O5 H5A 106.2 . . ? Ag1 O5 H5B 95.6 . . ? H5A O5 H5B 114.4 . . ? Ag1 O6 H6A 116.9 . . ? Ag1 O6 H6B 83.1 . . ? H6A O6 H6B 103.2 . . ? C9 N1 C5 118.1(3) . . ? C9 N1 Ag1 115.5(3) . . ? C5 N1 Ag1 122.4(3) . . ? C13 N2 C14 117.7(4) . . ? C13 N2 Ag2 120.7(3) . . ? C14 N2 Ag2 121.1(3) . . ? C24 N3 C20 117.4(3) . . ? C24 N3 Ag1 115.1(2) . . ? C20 N3 Ag1 122.4(3) . . ? C28 N4 C29 118.0(3) . . ? C28 N4 Ag2 120.2(3) . 4_465 ? C29 N4 Ag2 121.1(3) . 4_465 ? C2 C1 C6 120.3(5) . . ? C2 C1 H1 119.9 . . ? C6 C1 H1 119.9 . . ? C1 C2 C3 121.2(5) . . ? C1 C2 H2 119.4 . . ? C3 C2 H2 119.4 . . ? C4 C3 C2 120.7(5) . . ? C4 C3 H3 119.4 . . ? C2 C3 H3 119.9 . . ? C3 C4 C5 119.8(5) . . ? C3 C4 H4 120.1 . . ? C5 C4 H4 120.1 . . ? N1 C5 C4 117.6(4) . . ? N1 C5 C6 122.2(4) . . ? C4 C5 C6 120.1(4) . . ? C5 C6 C1 117.9(4) . . ? C5 C6 C7 118.2(4) . . ? C1 C6 C7 123.9(4) . . ? C8 C7 C6 117.8(4) . . ? C8 C7 C10 116.9(4) . . ? C6 C7 C10 125.3(4) . . ? C7 C8 C9 121.0(4) . . ? C7 C8 H8 119.7 . . ? C9 C8 H8 119.2 . . ? N1 C9 C8 122.6(4) . . ? N1 C9 C11 117.4(3) . . ? C8 C9 C11 120.0(4) . . ? O1 C10 O2 126.2(5) . . ? O1 C10 C7 119.1(5) . . ? O2 C10 C7 114.6(4) . . ? C12 C11 C15 117.7(4) . . ? C12 C11 C9 122.4(4) . . ? C15 C11 C9 119.8(4) . . ? C11 C12 C13 119.4(4) . . ? C11 C12 H12 120.3 . . ? C13 C12 H12 120.3 . . ? N2 C13 C12 123.2(4) . . ? N2 C13 H13 118.4 . . ? C12 C13 H13 118.4 . . ? N2 C14 C15 122.7(4) . . ? N2 C14 H14 118.6 . . ? C15 C14 H14 118.6 . . ? C14 C15 C11 119.2(4) . . ? C14 C15 H15 120.4 . . ? C11 C15 H15 120.4 . . ? C19 C18 C17 121.9(4) . . ? C19 C18 H18 119.2 . . ? C17 C18 H18 118.9 . . ? C18 C19 C20 119.8(4) . . ? C18 C19 H19 120.1 . . ? C20 C19 H19 120.1 . . ? N3 C20 C19 118.0(4) . . ? N3 C20 C21 122.7(4) . . ? C19 C20 C21 119.3(4) . . ? C22 C21 C16 124.5(4) . . ? C22 C21 C20 117.2(3) . . ? C16 C21 C20 118.3(4) . . ? C23 C22 C21 118.9(3) . . ? C23 C22 C25 116.8(4) . . ? C21 C22 C25 124.3(3) . . ? C22 C23 C24 120.9(4) . . ? C22 C23 H23 119.5 . . ? C24 C23 H23 119.5 . . ? N3 C24 C23 122.8(3) . . ? N3 C24 C26 117.2(3) . . ? C23 C24 C26 120.0(3) . . ? O4 C25 O3 126.0(4) . . ? O4 C25 C22 115.6(4) . . ? O3 C25 C22 118.4(4) . . ? C27 C26 C30 118.1(4) . . ? C27 C26 C24 120.7(3) . . ? C30 C26 C24 121.2(4) . . ? C28 C27 C26 119.1(4) . . ? C28 C27 H27 120.4 . . ? C26 C27 H27 120.4 . . ? N4 C28 C27 123.0(4) . . ? N4 C28 H28 118.9 . . ? C27 C28 H28 118.1 . . ? N4 C29 C30 122.9(4) . . ? N4 C29 H29 118.5 . . ? C30 C29 H29 118.5 . . ? C29 C30 C26 118.8(4) . . ? C29 C30 H30 120.6 . . ? C26 C30 H30 120.6 . . ? H10A O10 H10B 100.4 . . ? C17 C16 C21 120.7(4) . . ? C17 C16 H16 119.7 . . ? C21 C16 H16 119.7 . . ? C16 C17 C18 119.9(4) . . ? C16 C17 H17 120.1 . . ? C18 C17 H17 120.1 . . ? H8A O8 H8B 93.0 . . ? 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 N3 Ag1 N1 C9 -41.0(3) . . . . ? O6 Ag1 N1 C9 173.0(3) . . . . ? O5 Ag1 N1 C9 87.3(3) . . . . ? N3 Ag1 N1 C5 116.1(3) . . . . ? O6 Ag1 N1 C5 -29.9(3) . . . . ? O5 Ag1 N1 C5 -115.6(3) . . . . ? N4 Ag2 N2 C13 -139.1(3) 4_564 . . . ? O4 Ag2 N2 C13 46.6(4) 2_564 . . . ? N4 Ag2 N2 C14 33.1(5) 4_564 . . . ? O4 Ag2 N2 C14 -141.2(4) 2_564 . . . ? O6 Ag1 N3 C24 90.8(3) . . . . ? O5 Ag1 N3 C24 -165.0(2) . . . . ? N1 Ag1 N3 C24 -39.1(3) . . . . ? O6 Ag1 N3 C20 -115.2(3) . . . . ? O5 Ag1 N3 C20 -11.0(3) . . . . ? N1 Ag1 N3 C20 114.9(3) . . . . ? C6 C1 C2 C3 -1.7(7) . . . . ? C1 C2 C3 C4 1.2(7) . . . . ? C2 C3 C4 C5 0.7(7) . . . . ? C9 N1 C5 C4 -176.7(4) . . . . ? Ag1 N1 C5 C4 26.7(5) . . . . ? C9 N1 C5 C6 3.1(6) . . . . ? Ag1 N1 C5 C6 -153.4(3) . . . . ? C3 C4 C5 N1 177.9(4) . . . . ? C3 C4 C5 C6 -2.0(6) . . . . ? N1 C5 C6 C1 -178.4(4) . . . . ? C4 C5 C6 C1 1.5(6) . . . . ? N1 C5 C6 C7 -0.5(6) . . . . ? C4 C5 C6 C7 179.4(4) . . . . ? C2 C1 C6 C5 0.3(6) . . . . ? C2 C1 C6 C7 -177.4(4) . . . . ? C5 C6 C7 C8 -1.7(6) . . . . ? C1 C6 C7 C8 176.0(4) . . . . ? C5 C6 C7 C10 178.6(4) . . . . ? C1 C6 C7 C10 -3.6(7) . . . . ? C6 C7 C8 C9 1.4(6) . . . . ? C10 C7 C8 C9 -178.9(4) . . . . ? C5 N1 C9 C8 -3.5(6) . . . . ? Ag1 N1 C9 C8 154.6(3) . . . . ? C5 N1 C9 C11 175.6(3) . . . . ? Ag1 N1 C9 C11 -26.2(4) . . . . ? C7 C8 C9 N1 1.3(7) . . . . ? C7 C8 C9 C11 -177.8(4) . . . . ? C8 C7 C10 O1 154.9(5) . . . . ? C6 C7 C10 O1 -25.5(7) . . . . ? C8 C7 C10 O2 -27.5(6) . . . . ? C6 C7 C10 O2 152.1(5) . . . . ? N1 C9 C11 C12 146.8(4) . . . . ? C8 C9 C11 C12 -34.0(6) . . . . ? N1 C9 C11 C15 -36.0(5) . . . . ? C8 C9 C11 C15 143.2(4) . . . . ? C15 C11 C12 C13 2.6(6) . . . . ? C9 C11 C12 C13 179.9(4) . . . . ? C14 N2 C13 C12 -2.1(7) . . . . ? Ag2 N2 C13 C12 170.3(3) . . . . ? C11 C12 C13 N2 -0.1(7) . . . . ? C13 N2 C14 C15 1.8(7) . . . . ? Ag2 N2 C14 C15 -170.6(3) . . . . ? N2 C14 C15 C11 0.7(6) . . . . ? C12 C11 C15 C14 -2.9(6) . . . . ? C9 C11 C15 C14 179.7(4) . . . . ? C17 C18 C19 C20 2.8(6) . . . . ? C24 N3 C20 C19 -177.9(4) . . . . ? Ag1 N3 C20 C19 28.6(5) . . . . ? C24 N3 C20 C21 0.6(5) . . . . ? Ag1 N3 C20 C21 -152.9(3) . . . . ? C18 C19 C20 N3 178.8(4) . . . . ? C18 C19 C20 C21 0.2(6) . . . . ? N3 C20 C21 C22 0.1(6) . . . . ? C19 C20 C21 C22 178.5(4) . . . . ? N3 C20 C21 C16 178.3(4) . . . . ? C19 C20 C21 C16 -3.2(6) . . . . ? C16 C21 C22 C23 -178.0(4) . . . . ? C20 C21 C22 C23 0.2(6) . . . . ? C16 C21 C22 C25 2.8(6) . . . . ? C20 C21 C22 C25 -179.1(4) . . . . ? C21 C22 C23 C24 -1.0(6) . . . . ? C25 C22 C23 C24 178.3(4) . . . . ? C20 N3 C24 C23 -1.5(5) . . . . ? Ag1 N3 C24 C23 153.9(3) . . . . ? C20 N3 C24 C26 178.6(3) . . . . ? Ag1 N3 C24 C26 -26.1(4) . . . . ? C22 C23 C24 N3 1.8(6) . . . . ? C22 C23 C24 C26 -178.3(4) . . . . ? Ag2 O4 C25 O3 -11.3(7) 2_565 . . . ? Ag2 O4 C25 C22 170.6(3) 2_565 . . . ? C23 C22 C25 O4 41.2(6) . . . . ? C21 C22 C25 O4 -139.6(4) . . . . ? C23 C22 C25 O3 -137.1(4) . . . . ? C21 C22 C25 O3 42.2(6) . . . . ? N3 C24 C26 C27 147.2(4) . . . . ? C23 C24 C26 C27 -32.7(5) . . . . ? N3 C24 C26 C30 -34.5(5) . . . . ? C23 C24 C26 C30 145.6(4) . . . . ? C30 C26 C27 C28 1.3(6) . . . . ? C24 C26 C27 C28 179.7(4) . . . . ? C29 N4 C28 C27 -0.6(6) . . . . ? Ag2 N4 C28 C27 169.7(3) 4_465 . . . ? C26 C27 C28 N4 -0.7(7) . . . . ? C28 N4 C29 C30 1.3(6) . . . . ? Ag2 N4 C29 C30 -168.9(3) 4_465 . . . ? N4 C29 C30 C26 -0.7(7) . . . . ? C27 C26 C30 C29 -0.6(6) . . . . ? C24 C26 C30 C29 -179.0(4) . . . . ? C22 C21 C16 C17 -178.6(4) . . . . ? C20 C21 C16 C17 3.2(6) . . . . ? C21 C16 C17 C18 -0.3(7) . . . . ? C19 C18 C17 C16 -2.8(6) . . . . ? 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 O8 H8A O1 0.85 2.65 3.496(13) 179.6 . O9 H9A O7 0.91 2.00 2.811(12) 147.1 . O6 H6B O3 0.85 2.11 2.961(7) 177.4 4_464 O6 H6A O1 0.85 1.93 2.782(6) 177.7 3 O5 H5B O2 0.85 1.93 2.637(5) 139.6 3 O5 H5A O3 0.85 2.22 2.773(6) 122.6 4_464 O7 H7B O5 0.85 2.16 2.880(8) 141.8 4_465 O9 H9B O10 0.86 2.16 2.821(14) 134.0 2_565 O8 H8B O9 0.85 1.91 2.76(2) 178.7 . O6 H6B O5 0.85 2.64 3.065(7) 112.2 . O10 H10B O4 0.85 2.01 2.838(7) 163.2 . O10 H10A O8 0.85 1.91 2.727(17) 160.2 . O5 H5B O6 0.85 2.61 3.065(7) 114.9 . O7 H7A O1 0.85 2.07 2.804(7) 144.8 . _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 27.54 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 1.603 _refine_diff_density_min -0.961 _refine_diff_density_rms 0.087