%! # Electronic Supplementary Material (ESI) for CrystEngComm # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full CrystEngComm _journal_coden_cambridge 1350 _publ_contact_author_name 'Katharina M. Fromm' _publ_contact_author_address ;Department of Chemistry, University of Fribourg, Chemin du mus\'ee 9, 1700 Fribourg, Switzerland ; _publ_contact_author_email katharina.fromm@unifr.ch _publ_contact_author_phone '+41 26 300 8732' _publ_contact_author_fax '+41 26 300 9738' loop_ _publ_author_name _publ_author_address J.Girard ;Department of Chemistry, University of Fribourg, Chemin du mus\'ee 9, 1700 Fribourg, Switzerland ; K.M.Fromm ;Department of Chemistry, University of Fribourg, Chemin du mus\'ee 9, 1700 Fribourg, Switzerland ; # Attachment '- 1.cif' data_01_1 _database_code_depnum_ccdc_archive 'CCDC 875797' #TrackingRef '- 1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic '(24-crown-8) tetrasilver nitrate' _chemical_name_common '(24-crown-8) tetrasilver nitrate' _chemical_formula_moiety 'C8 H16 Ag2 N2 O10' _chemical_formula_sum 'C8 H16 Ag2 N2 O10' _chemical_melting_point ? _exptl_crystal_description block _exptl_crystal_colour colorless _diffrn_ambient_temperature 273(2) _chemical_formula_weight 515.97 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' O O 0.0106 0.0060 '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' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'I b c a' _symmetry_int_tables_number 73 _chemical_absolute_configuration ? _symmetry_space_group_name_Hall '-I 2b 2c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y+1/2, z' 'x, -y, -z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1, z+1/2' 'x+1/2, -y+1/2, -z+1' '-x+1/2, y+1, -z+1' '-x, -y, -z' 'x, y-1/2, -z' '-x, y, z-1/2' 'x, -y-1/2, z-1/2' '-x+1/2, -y+1/2, -z+1/2' 'x+1/2, y, -z+1/2' '-x+1/2, y+1/2, z' 'x+1/2, -y, z' _cell_length_a 13.4204(6) _cell_length_b 16.5076(7) _cell_length_c 28.1263(13) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6231.1(5) _cell_formula_units_Z 16 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used 15799 _cell_measurement_theta_min 1.45 _cell_measurement_theta_max 26.30 _exptl_crystal_size_max 0.16 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.200 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4032 _exptl_absorpt_coefficient_mu 2.564 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; Thermal factors are quite high in general due to the temperature measurement. ; _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed tube' _diffrn_source_type 'STOE IPDS 2T' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS 2T' _diffrn_measurement_method 'rotation method' _diffrn_detector_area_resol_mean 6.67 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 36758 _diffrn_reflns_av_R_equivalents 0.0456 _diffrn_reflns_av_sigmaI/netI 0.0149 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 1.45 _diffrn_reflns_theta_max 25.00 _reflns_number_total 2732 _reflns_number_gt 2294 _reflns_threshold_expression >2\s(I) _computing_data_collection X-Area _computing_cell_refinement X-Area _computing_data_reduction X-Red32 _computing_structure_solution 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics Diamond _computing_publication_material enCIFer _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^ > 2\s(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^)+(0.0223P)^2^+35.9168P] 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 2732 _refine_ls_number_parameters 215 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0464 _refine_ls_R_factor_gt 0.0365 _refine_ls_wR_factor_ref 0.0785 _refine_ls_wR_factor_gt 0.0753 _refine_ls_goodness_of_fit_ref 1.070 _refine_ls_restrained_S_all 1.070 _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 C3 C 0.0836(6) 0.4638(5) 0.0723(3) 0.097(2) Uani 1 1 d . . . H3A H 0.1248 0.5024 0.0553 0.116 Uiso 1 1 calc R . . H3B H 0.1256 0.4346 0.0945 0.116 Uiso 1 1 calc R . . C4 C 0.0042(7) 0.5070(4) 0.0983(3) 0.101(2) Uani 1 1 d . . . H4A H 0.0331 0.5483 0.1186 0.122 Uiso 1 1 calc R . . H4B H -0.0407 0.5331 0.0760 0.122 Uiso 1 1 calc R . . C5 C -0.1245(6) 0.4874(4) 0.1538(3) 0.101(2) Uani 1 1 d . . . H5A H -0.1712 0.5152 0.1332 0.121 Uiso 1 1 calc R . . H5B H -0.0952 0.5269 0.1752 0.121 Uiso 1 1 calc R . . C6 C -0.1770(6) 0.4232(5) 0.1816(3) 0.101(2) Uani 1 1 d . . . H6A H -0.2323 0.4470 0.1990 0.121 Uiso 1 1 calc R . . H6B H -0.2035 0.3826 0.1601 0.121 Uiso 1 1 calc R . . C7 C -0.1529(5) 0.3227(4) 0.2412(2) 0.087(2) Uani 1 1 d . . . H7A H -0.1789 0.2814 0.2200 0.104 Uiso 1 1 calc R . . H7B H -0.2078 0.3439 0.2599 0.104 Uiso 1 1 calc R . . C8 C -0.0759(5) 0.2867(4) 0.2733(2) 0.085(2) Uani 1 1 d . . . H8A H -0.0469 0.3286 0.2932 0.102 Uiso 1 1 calc R . . H8B H -0.1061 0.2463 0.2938 0.102 Uiso 1 1 calc R . . O3 O -0.0490(3) 0.4493(2) 0.12640(14) 0.0722(11) Uani 1 1 d . . . O4 O -0.1091(3) 0.3862(3) 0.21419(15) 0.0772(11) Uani 1 1 d . . . O5 O 0.0000 0.2500 0.24429(18) 0.0643(13) Uani 1 2 d S . . O11 O 0.0829(10) 0.5189(13) 0.2117(7) 0.108(5) Uani 0.50 1 d P . . O12 O 0.1368(9) 0.4553(17) 0.2184(11) 0.175(9) Uani 0.50 1 d P . . O13 O 0.1023(14) 0.4266(12) 0.2618(7) 0.118(4) Uani 0.50 1 d P . . N3 N 0.1052(5) 0.5000 0.2500 0.079(3) Uani 1 2 d S . . C1 C 0.1082(5) 0.3634(5) 0.0122(3) 0.089(2) Uani 1 1 d . . . H1A H 0.1519 0.3331 0.0332 0.106 Uiso 1 1 calc R . . H1B H 0.1488 0.4000 -0.0066 0.106 Uiso 1 1 calc R . . C2 C 0.0543(5) 0.3074(5) -0.0192(2) 0.095(2) Uani 1 1 d . . . H2A H 0.0086 0.3375 -0.0393 0.114 Uiso 1 1 calc R . . H2B H 0.1012 0.2792 -0.0396 0.114 Uiso 1 1 calc R . . O1 O 0.0000 0.2500 0.00920(18) 0.0705(15) Uani 1 2 d S . . O2 O 0.0394(3) 0.4076(3) 0.03908(16) 0.0825(12) Uani 1 1 d . . . O6 O -0.1220(3) 0.2326(2) 0.12680(13) 0.0677(10) Uani 1 1 d . . . O7 O -0.2727(4) 0.2579(4) 0.10440(17) 0.1065(16) Uani 1 1 d . . . O8 O -0.2418(4) 0.1593(3) 0.15325(16) 0.0920(14) Uani 1 1 d . . . O9 O -0.1984(3) 0.4418(2) 0.02916(15) 0.0783(12) Uani 1 1 d . . . O10 O -0.2500 0.3305(4) 0.0000 0.0878(19) Uani 1 2 d S . . Ag1 Ag -0.10648(3) 0.33405(3) 0.068572(16) 0.06588(15) Uani 1 1 d . . . Ag2 Ag 0.05310(3) 0.35865(3) 0.182566(17) 0.07237(16) Uani 1 1 d . . . N1 N -0.2148(4) 0.2161(3) 0.12833(17) 0.0703(13) Uani 1 1 d . . . N2 N -0.2500 0.4043(4) 0.0000 0.0590(15) Uani 1 2 d S . . 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 C3 0.089(5) 0.093(5) 0.108(5) 0.045(5) -0.009(4) -0.034(4) C4 0.123(6) 0.059(4) 0.122(6) 0.026(4) -0.022(5) -0.014(4) C5 0.110(6) 0.066(4) 0.128(6) -0.008(4) -0.010(5) 0.037(4) C6 0.082(5) 0.096(5) 0.126(6) -0.026(5) 0.010(5) 0.031(4) C7 0.083(5) 0.092(5) 0.085(5) -0.025(4) 0.029(4) -0.017(4) C8 0.108(5) 0.083(4) 0.064(4) -0.010(3) 0.011(4) -0.026(4) O3 0.078(3) 0.049(2) 0.089(3) 0.0080(19) -0.012(2) 0.005(2) O4 0.079(3) 0.068(2) 0.085(3) -0.011(2) 0.005(2) 0.001(2) O5 0.072(3) 0.064(3) 0.057(3) 0.000 0.000 -0.017(3) O11 0.059(7) 0.122(13) 0.143(11) 0.046(10) -0.029(8) -0.031(8) O12 0.055(7) 0.213(18) 0.26(2) -0.176(17) 0.040(10) -0.036(10) O13 0.086(10) 0.135(13) 0.132(12) 0.019(11) -0.037(9) -0.039(9) N3 0.036(4) 0.083(7) 0.118(8) -0.052(6) 0.000 0.000 C1 0.056(4) 0.116(6) 0.093(5) 0.050(4) 0.011(4) 0.008(4) C2 0.087(5) 0.135(7) 0.062(4) 0.032(4) 0.019(4) 0.036(5) O1 0.061(3) 0.095(4) 0.056(3) 0.000 0.000 0.018(3) O2 0.062(3) 0.088(3) 0.097(3) 0.033(3) 0.003(2) 0.000(2) O6 0.061(2) 0.073(3) 0.069(2) 0.005(2) 0.0046(19) -0.014(2) O7 0.076(3) 0.149(5) 0.094(3) 0.013(3) -0.015(3) -0.014(3) O8 0.103(4) 0.088(3) 0.086(3) -0.006(3) 0.033(3) -0.035(3) O9 0.065(3) 0.069(2) 0.101(3) 0.003(2) -0.027(2) -0.005(2) O10 0.129(6) 0.054(3) 0.080(4) 0.000 -0.017(4) 0.000 Ag1 0.0623(3) 0.0665(3) 0.0688(3) 0.0077(2) 0.0041(2) 0.0006(2) Ag2 0.0556(3) 0.0791(3) 0.0824(3) 0.0183(3) -0.0040(2) -0.0060(2) N1 0.073(3) 0.080(3) 0.057(3) -0.013(3) 0.012(3) -0.013(3) N2 0.042(3) 0.068(4) 0.067(4) 0.000 0.000(3) 0.000 _geom_special_details ; All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s 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 C3 O2 1.443(8) . ? C3 C4 1.477(10) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 O3 1.429(8) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 O3 1.420(8) . ? C5 C6 1.493(10) . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C6 O4 1.430(8) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 O4 1.421(7) . ? C7 C8 1.496(9) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 O5 1.439(7) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? O3 Ag2 2.572(4) . ? O4 Ag2 2.395(4) . ? O5 C8 1.439(7) 2 ? O5 Ag2 2.596(3) 2 ? O5 Ag2 2.596(3) . ? O11 N3 1.161(16) . ? O11 O13 1.198(19) 3_565 ? O11 O12 1.29(2) . ? O12 N3 1.232(11) . ? O12 O13 1.39(3) . ? O12 Ag2 2.196(11) . ? O13 O11 1.198(19) 3_565 ? O13 N3 1.257(17) . ? O13 Ag2 2.580(19) . ? N3 O11 1.161(16) 3_565 ? N3 O12 1.232(11) 3_565 ? N3 O13 1.257(17) 3_565 ? C1 O2 1.399(8) . ? C1 C2 1.469(10) . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C2 O1 1.439(7) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? O1 C2 1.439(7) 2 ? O1 Ag1 2.599(3) . ? O1 Ag1 2.599(3) 2 ? O2 Ag1 2.449(4) . ? O6 N1 1.275(6) . ? O6 Ag1 2.352(4) . ? O6 Ag2 2.363(4) 2 ? O7 N1 1.237(7) . ? O8 N1 1.226(6) . ? O9 N2 1.239(5) . ? O9 Ag1 2.433(4) . ? O10 N2 1.218(8) . ? Ag2 O6 2.363(4) 2 ? N2 O9 1.239(5) 8_444 ? 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 O2 C3 C4 109.5(6) . . ? O2 C3 H3A 109.8 . . ? C4 C3 H3A 109.8 . . ? O2 C3 H3B 109.8 . . ? C4 C3 H3B 109.8 . . ? H3A C3 H3B 108.2 . . ? O3 C4 C3 108.3(5) . . ? O3 C4 H4A 110.0 . . ? C3 C4 H4A 110.0 . . ? O3 C4 H4B 110.0 . . ? C3 C4 H4B 110.0 . . ? H4A C4 H4B 108.4 . . ? O3 C5 C6 107.9(5) . . ? O3 C5 H5A 110.1 . . ? C6 C5 H5A 110.1 . . ? O3 C5 H5B 110.1 . . ? C6 C5 H5B 110.1 . . ? H5A C5 H5B 108.4 . . ? O4 C6 C5 109.7(6) . . ? O4 C6 H6A 109.7 . . ? C5 C6 H6A 109.7 . . ? O4 C6 H6B 109.7 . . ? C5 C6 H6B 109.7 . . ? H6A C6 H6B 108.2 . . ? O4 C7 C8 109.2(5) . . ? O4 C7 H7A 109.8 . . ? C8 C7 H7A 109.8 . . ? O4 C7 H7B 109.8 . . ? C8 C7 H7B 109.8 . . ? H7A C7 H7B 108.3 . . ? O5 C8 C7 108.3(5) . . ? O5 C8 H8A 110.0 . . ? C7 C8 H8A 110.0 . . ? O5 C8 H8B 110.0 . . ? C7 C8 H8B 110.0 . . ? H8A C8 H8B 108.4 . . ? C5 O3 C4 111.3(5) . . ? C5 O3 Ag2 107.7(4) . . ? C4 O3 Ag2 117.4(4) . . ? C7 O4 C6 113.2(6) . . ? C7 O4 Ag2 115.8(4) . . ? C6 O4 Ag2 115.0(4) . . ? C8 O5 C8 110.9(7) . 2 ? C8 O5 Ag2 118.4(3) . 2 ? C8 O5 Ag2 106.4(3) 2 2 ? C8 O5 Ag2 106.4(3) . . ? C8 O5 Ag2 118.4(3) 2 . ? Ag2 O5 Ag2 96.05(17) 2 . ? N3 O11 O13 64.4(13) . 3_565 ? N3 O11 O12 60.1(12) . . ? O13 O11 O12 113.6(16) 3_565 . ? N3 O12 O11 54.8(8) . . ? N3 O12 O13 56.9(8) . . ? O11 O12 O13 102.6(11) . . ? N3 O12 Ag2 126.2(8) . . ? O11 O12 Ag2 103.8(17) . . ? O13 O12 Ag2 89.1(15) . . ? O11 O13 N3 56.4(12) 3_565 . ? O11 O13 O12 111(2) 3_565 . ? N3 O13 O12 55.2(10) . . ? O11 O13 Ag2 144.0(16) 3_565 . ? N3 O13 Ag2 101.5(9) . . ? O12 O13 Ag2 58.3(9) . . ? O11 N3 O11 150.1(17) 3_565 . ? O11 N3 O12 65.1(12) 3_565 3_565 ? O11 N3 O12 126.8(13) . 3_565 ? O11 N3 O12 126.8(13) 3_565 . ? O11 N3 O12 65.1(12) . . ? O12 N3 O12 139.7(14) 3_565 . ? O11 N3 O13 119.7(9) 3_565 3_565 ? O11 N3 O13 59.2(9) . 3_565 ? O12 N3 O13 67.9(11) 3_565 3_565 ? O12 N3 O13 113.4(14) . 3_565 ? O11 N3 O13 59.2(9) 3_565 . ? O11 N3 O13 119.7(9) . . ? O12 N3 O13 113.4(14) 3_565 . ? O12 N3 O13 67.9(11) . . ? O13 N3 O13 176.4(19) 3_565 . ? O2 C1 C2 109.2(5) . . ? O2 C1 H1A 109.8 . . ? C2 C1 H1A 109.8 . . ? O2 C1 H1B 109.8 . . ? C2 C1 H1B 109.8 . . ? H1A C1 H1B 108.3 . . ? O1 C2 C1 109.2(5) . . ? O1 C2 H2A 109.8 . . ? C1 C2 H2A 109.8 . . ? O1 C2 H2B 109.8 . . ? C1 C2 H2B 109.8 . . ? H2A C2 H2B 108.3 . . ? C2 O1 C2 112.5(7) . 2 ? C2 O1 Ag1 106.5(3) . . ? C2 O1 Ag1 115.5(3) 2 . ? C2 O1 Ag1 115.5(3) . 2 ? C2 O1 Ag1 106.5(3) 2 2 ? Ag1 O1 Ag1 100.04(17) . 2 ? C1 O2 C3 114.4(6) . . ? C1 O2 Ag1 116.9(4) . . ? C3 O2 Ag1 115.3(4) . . ? N1 O6 Ag1 105.2(3) . . ? N1 O6 Ag2 102.9(3) . 2 ? Ag1 O6 Ag2 151.80(18) . 2 ? N2 O9 Ag1 102.7(3) . . ? O6 Ag1 O9 142.49(14) . . ? O6 Ag1 O2 131.30(13) . . ? O9 Ag1 O2 83.60(14) . . ? O6 Ag1 O1 96.66(12) . . ? O9 Ag1 O1 112.12(14) . . ? O2 Ag1 O1 66.88(12) . . ? O12 Ag2 O6 124.5(3) . 2 ? O12 Ag2 O4 99.0(3) . . ? O6 Ag2 O4 136.33(13) 2 . ? O12 Ag2 O3 97.6(10) . . ? O6 Ag2 O3 99.89(13) 2 . ? O4 Ag2 O3 68.49(14) . . ? O12 Ag2 O13 32.6(8) . . ? O6 Ag2 O13 138.6(5) 2 . ? O4 Ag2 O13 80.2(5) . . ? O3 Ag2 O13 114.4(4) . . ? O12 Ag2 O5 109.6(10) . . ? O6 Ag2 O5 96.38(12) 2 . ? O4 Ag2 O5 68.48(11) . . ? O3 Ag2 O5 131.81(10) . . ? O13 Ag2 O5 78.0(4) . . ? O8 N1 O7 123.5(6) . . ? O8 N1 O6 118.1(6) . . ? O7 N1 O6 118.4(5) . . ? O10 N2 O9 120.0(3) . 8_444 ? O10 N2 O9 120.0(3) . . ? O9 N2 O9 120.1(7) 8_444 . ? 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 O2 C3 C4 O3 64.8(7) . . . . ? O3 C5 C6 O4 63.5(7) . . . . ? O4 C7 C8 O5 -64.3(6) . . . . ? C6 C5 O3 C4 179.4(6) . . . . ? C6 C5 O3 Ag2 -50.5(7) . . . . ? C3 C4 O3 C5 177.9(6) . . . . ? C3 C4 O3 Ag2 53.1(7) . . . . ? C8 C7 O4 C6 178.8(5) . . . . ? C8 C7 O4 Ag2 43.0(6) . . . . ? C5 C6 O4 C7 -178.4(5) . . . . ? C5 C6 O4 Ag2 -42.2(6) . . . . ? C7 C8 O5 C8 -179.3(6) . . . 2 ? C7 C8 O5 Ag2 -55.8(6) . . . 2 ? C7 C8 O5 Ag2 50.7(5) . . . . ? O13 O11 O12 N3 37(2) 3_565 . . . ? N3 O11 O12 O13 32.6(9) . . . . ? O13 O11 O12 O13 70.0(19) 3_565 . . . ? N3 O11 O12 Ag2 124.8(16) . . . . ? O13 O11 O12 Ag2 162.2(11) 3_565 . . . ? N3 O12 O13 O11 -6(2) . . . 3_565 ? O11 O12 O13 O11 -37(3) . . . 3_565 ? Ag2 O12 O13 O11 -141.2(14) . . . 3_565 ? O11 O12 O13 N3 -31.7(10) . . . . ? Ag2 O12 O13 N3 -135.6(11) . . . . ? N3 O12 O13 Ag2 135.6(11) . . . . ? O11 O12 O13 Ag2 103.9(15) . . . . ? O13 O11 N3 O11 97.0(14) 3_565 . . 3_565 ? O12 O11 N3 O11 -121.1(8) . . . 3_565 ? O13 O11 N3 O12 -7(2) 3_565 . . 3_565 ? O12 O11 N3 O12 134.6(16) . . . 3_565 ? O13 O11 N3 O12 -141.9(18) 3_565 . . . ? O12 O11 N3 O13 141.9(17) . . . 3_565 ? O13 O11 N3 O13 176(2) 3_565 . . . ? O12 O11 N3 O13 -42.1(11) . . . . ? O11 O12 N3 O11 148(2) . . . 3_565 ? O13 O12 N3 O11 7(2) . . . 3_565 ? Ag2 O12 N3 O11 67(4) . . . 3_565 ? O13 O12 N3 O11 -141.1(11) . . . . ? Ag2 O12 N3 O11 -81(3) . . . . ? O11 O12 N3 O12 -118.2(11) . . . 3_565 ? O13 O12 N3 O12 100.7(14) . . . 3_565 ? Ag2 O12 N3 O12 161(3) . . . 3_565 ? O11 O12 N3 O13 -35.3(14) . . . 3_565 ? O13 O12 N3 O13 -176.4(19) . . . 3_565 ? Ag2 O12 N3 O13 -116(3) . . . 3_565 ? O11 O12 N3 O13 141.1(11) . . . . ? Ag2 O12 N3 O13 60(2) . . . . ? O12 O13 N3 O11 -174(2) . . . 3_565 ? Ag2 O13 N3 O11 148.9(19) . . . 3_565 ? O11 O13 N3 O11 -145(2) 3_565 . . . ? O12 O13 N3 O11 41.0(12) . . . . ? Ag2 O13 N3 O11 3.6(13) . . . . ? O11 O13 N3 O12 37.6(14) 3_565 . . 3_565 ? O12 O13 N3 O12 -136.1(18) . . . 3_565 ? Ag2 O13 N3 O12 -173.5(11) . . . 3_565 ? O11 O13 N3 O12 174(2) 3_565 . . . ? Ag2 O13 N3 O12 -37.4(8) . . . . ? O2 C1 C2 O1 -63.4(6) . . . . ? C1 C2 O1 C2 -179.6(6) . . . 2 ? C1 C2 O1 Ag1 53.0(5) . . . . ? C1 C2 O1 Ag1 -57.1(6) . . . 2 ? C2 C1 O2 C3 178.8(5) . . . . ? C2 C1 O2 Ag1 39.6(6) . . . . ? C4 C3 O2 C1 179.7(5) . . . . ? C4 C3 O2 Ag1 -40.4(6) . . . . ? N1 O6 Ag1 O9 25.2(4) . . . . ? Ag2 O6 Ag1 O9 -158.7(3) 2 . . . ? N1 O6 Ag1 O2 179.4(3) . . . . ? Ag2 O6 Ag1 O2 -4.5(5) 2 . . . ? N1 O6 Ag1 O1 -115.6(3) . . . . ? Ag2 O6 Ag1 O1 60.5(4) 2 . . . ? N2 O9 Ag1 O6 -78.5(3) . . . . ? N2 O9 Ag1 O2 120.7(3) . . . . ? N2 O9 Ag1 O1 58.8(3) . . . . ? C1 O2 Ag1 O6 69.4(5) . . . . ? C3 O2 Ag1 O6 -69.4(5) . . . . ? C1 O2 Ag1 O9 -126.0(4) . . . . ? C3 O2 Ag1 O9 95.2(4) . . . . ? C1 O2 Ag1 O1 -8.6(4) . . . . ? C3 O2 Ag1 O1 -147.4(4) . . . . ? C2 O1 Ag1 O6 -155.8(4) . . . . ? C2 O1 Ag1 O6 78.6(4) 2 . . . ? Ag1 O1 Ag1 O6 -35.22(9) 2 . . . ? C2 O1 Ag1 O9 48.8(4) . . . . ? C2 O1 Ag1 O9 -76.8(4) 2 . . . ? Ag1 O1 Ag1 O9 169.34(10) 2 . . . ? C2 O1 Ag1 O2 -23.5(4) . . . . ? C2 O1 Ag1 O2 -149.1(4) 2 . . . ? Ag1 O1 Ag1 O2 97.05(11) 2 . . . ? N3 O12 Ag2 O6 -174(2) . . . 2 ? O11 O12 Ag2 O6 129.4(15) . . . 2 ? O13 O12 Ag2 O6 -127.9(12) . . . 2 ? N3 O12 Ag2 O4 9(3) . . . . ? O11 O12 Ag2 O4 -47(2) . . . . ? O13 O12 Ag2 O4 55(2) . . . . ? N3 O12 Ag2 O3 78(3) . . . . ? O11 O12 Ag2 O3 22(2) . . . . ? O13 O12 Ag2 O3 124.6(18) . . . . ? N3 O12 Ag2 O13 -46.6(16) . . . . ? O11 O12 Ag2 O13 -102.8(12) . . . . ? N3 O12 Ag2 O5 -62(3) . . . . ? O11 O12 Ag2 O5 -118(2) . . . . ? O13 O12 Ag2 O5 -15.0(19) . . . . ? C7 O4 Ag2 O12 -119.2(11) . . . . ? C6 O4 Ag2 O12 105.8(11) . . . . ? C7 O4 Ag2 O6 64.5(5) . . . 2 ? C6 O4 Ag2 O6 -70.5(5) . . . 2 ? C7 O4 Ag2 O3 146.1(4) . . . . ? C6 O4 Ag2 O3 11.1(4) . . . . ? C7 O4 Ag2 O13 -92.5(5) . . . . ? C6 O4 Ag2 O13 132.5(6) . . . . ? C7 O4 Ag2 O5 -11.6(4) . . . . ? C6 O4 Ag2 O5 -146.6(5) . . . . ? C5 O3 Ag2 O12 -74.9(6) . . . . ? C4 O3 Ag2 O12 51.6(6) . . . . ? C5 O3 Ag2 O6 157.9(4) . . . 2 ? C4 O3 Ag2 O6 -75.6(5) . . . 2 ? C5 O3 Ag2 O4 21.8(4) . . . . ? C4 O3 Ag2 O4 148.3(5) . . . . ? C5 O3 Ag2 O13 -45.8(6) . . . . ? C4 O3 Ag2 O13 80.7(7) . . . . ? C5 O3 Ag2 O5 50.0(4) . . . . ? C4 O3 Ag2 O5 176.5(4) . . . . ? O11 O13 Ag2 O12 83(3) 3_565 . . . ? N3 O13 Ag2 O12 35.9(12) . . . . ? O11 O13 Ag2 O6 162(3) 3_565 . . 2 ? N3 O13 Ag2 O6 115.4(11) . . . 2 ? O12 O13 Ag2 O6 79.5(19) . . . 2 ? O11 O13 Ag2 O4 -42(3) 3_565 . . . ? N3 O13 Ag2 O4 -88.7(13) . . . . ? O12 O13 Ag2 O4 -124.5(19) . . . . ? O11 O13 Ag2 O3 19(3) 3_565 . . . ? N3 O13 Ag2 O3 -27.8(14) . . . . ? O12 O13 Ag2 O3 -64(2) . . . . ? O11 O13 Ag2 O5 -112(3) 3_565 . . . ? N3 O13 Ag2 O5 -158.6(13) . . . . ? O12 O13 Ag2 O5 165.6(19) . . . . ? C8 O5 Ag2 O12 70.7(6) . . . . ? C8 O5 Ag2 O12 -54.9(6) 2 . . . ? Ag2 O5 Ag2 O12 -167.3(5) 2 . . . ? C8 O5 Ag2 O6 -159.1(3) . . . 2 ? C8 O5 Ag2 O6 75.3(4) 2 . . 2 ? Ag2 O5 Ag2 O6 -37.08(9) 2 . . 2 ? C8 O5 Ag2 O4 -21.5(3) . . . . ? C8 O5 Ag2 O4 -147.2(4) 2 . . . ? Ag2 O5 Ag2 O4 100.51(11) 2 . . . ? C8 O5 Ag2 O3 -49.7(4) . . . . ? C8 O5 Ag2 O3 -175.4(4) 2 . . . ? Ag2 O5 Ag2 O3 72.31(14) 2 . . . ? C8 O5 Ag2 O13 62.5(6) . . . . ? C8 O5 Ag2 O13 -63.1(6) 2 . . . ? Ag2 O5 Ag2 O13 -175.5(5) 2 . . . ? Ag1 O6 N1 O8 173.6(4) . . . . ? Ag2 O6 N1 O8 -4.5(5) 2 . . . ? Ag1 O6 N1 O7 -5.9(6) . . . . ? Ag2 O6 N1 O7 176.0(4) 2 . . . ? Ag1 O9 N2 O10 5.5(3) . . . . ? Ag1 O9 N2 O9 -174.5(3) . . . 8_444 ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.089 _refine_diff_density_min -0.601 _refine_diff_density_rms 0.073 # Attachment '- 1prime.cif' data_01_1prime _database_code_depnum_ccdc_archive 'CCDC 875798' #TrackingRef '- 1prime.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic '(24-crown-8) tetrasilver nitrate' _chemical_name_common '(24-crown-8) tetrasilver nitrate' _chemical_formula_moiety 'C32 H64 Ag8 N8 O40' _chemical_formula_sum 'C32 H64 Ag8 N8 O40' _chemical_melting_point ? _exptl_crystal_description block _exptl_crystal_colour white _diffrn_ambient_temperature 200(2) _chemical_formula_weight 2063.87 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 'P 21/c' _symmetry_int_tables_number 14 _chemical_absolute_configuration ? _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 16.3286(8) _cell_length_b 13.4452(5) _cell_length_c 28.0645(14) _cell_angle_alpha 90.00 _cell_angle_beta 90.800(4) _cell_angle_gamma 90.00 _cell_volume 6160.7(5) _cell_formula_units_Z 4 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 18208 _cell_measurement_theta_min 1.25 _cell_measurement_theta_max 25.88 _exptl_crystal_size_max 0.19 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.225 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4032 _exptl_absorpt_coefficient_mu 2.594 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; The thermal factor of O17 could be due to a residual rotation of the nitrate as the temperature measurement is quite close to the one of the phase transition ; _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed tube' _diffrn_source_type 'STOE IPDS 2T' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS 2T' _diffrn_measurement_method 'rotation method' _diffrn_detector_area_resol_mean 6.67 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 40318 _diffrn_reflns_av_R_equivalents 0.0792 _diffrn_reflns_av_sigmaI/netI 0.0857 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_theta_min 1.25 _diffrn_reflns_theta_max 25.00 _reflns_number_total 10792 _reflns_number_gt 6113 _reflns_threshold_expression >2\s(I) _computing_data_collection X-Area _computing_cell_refinement X-Area _computing_data_reduction X-Red32 _computing_structure_solution 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics Diamond _computing_publication_material enCIFer _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^ > 2\s(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^)+(0.0457P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 10792 _refine_ls_number_parameters 793 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0910 _refine_ls_R_factor_gt 0.0438 _refine_ls_wR_factor_ref 0.0973 _refine_ls_wR_factor_gt 0.0881 _refine_ls_goodness_of_fit_ref 0.865 _refine_ls_restrained_S_all 0.865 _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 0.58191(4) 0.68784(5) 0.08197(2) 0.04494(17) Uani 1 1 d . . . Ag2 Ag 0.37656(4) 0.80766(5) 0.05928(2) 0.04394(16) Uani 1 1 d . . . Ag3 Ag 0.38437(4) 0.65933(5) 0.18232(2) 0.04395(17) Uani 1 1 d . . . Ag4 Ag 0.56716(4) 0.86333(5) 0.19003(2) 0.04483(17) Uani 1 1 d . . . Ag5 Ag 0.08448(4) 0.81238(5) -0.06664(2) 0.04750(17) Uani 1 1 d . . . Ag6 Ag 0.07558(4) 0.59785(6) -0.17128(3) 0.0544(2) Uani 1 1 d . . . Ag7 Ag -0.09417(4) 0.81437(5) -0.17996(2) 0.04528(17) Uani 1 1 d . . . Ag8 Ag 0.85024(4) 0.71204(5) -0.05563(2) 0.05132(19) Uani 1 1 d . . . O1 O 0.4970(3) 0.7405(4) 0.00851(17) 0.0375(12) Uani 1 1 d . . . O2 O 0.3504(3) 0.6396(4) 0.03107(18) 0.0412(13) Uani 1 1 d . . . O3 O 0.2779(3) 0.7132(4) 0.11558(18) 0.0381(13) Uani 1 1 d . . . O4 O 0.3073(3) 0.8114(4) 0.20263(18) 0.0431(13) Uani 1 1 d . . . O5 O 0.4604(3) 0.7735(4) 0.24584(17) 0.0378(13) Uani 1 1 d . . . O6 O 0.6210(3) 0.7123(4) 0.22760(19) 0.0429(14) Uani 1 1 d . . . O7 O 0.6805(3) 0.7819(4) 0.13946(18) 0.0403(13) Uani 1 1 d . . . O8 O 0.6341(3) 0.8382(4) 0.04667(19) 0.0435(14) Uani 1 1 d . . . O9 O -0.0341(3) 0.7981(4) -0.00386(17) 0.0411(13) Uani 1 1 d . . . O10 O 0.1008(3) 0.6672(4) -0.0174(2) 0.0466(14) Uani 1 1 d . . . O11 O 0.1754(3) 0.6782(4) -0.1061(2) 0.0461(14) Uani 1 1 d . . . O12 O 0.1491(4) 0.7447(5) -0.1995(2) 0.0555(16) Uani 1 1 d . . . O13 O -0.0083(3) 0.7016(5) -0.23459(19) 0.0497(15) Uani 1 1 d . . . O14 O -0.1727(3) 0.6719(4) -0.2095(2) 0.0508(15) Uani 1 1 d . . . O15 O -0.2271(3) 0.7803(4) -0.12985(17) 0.0350(12) Uani 1 1 d . . . O16 O -0.1753(3) 0.8867(4) -0.0476(2) 0.0446(14) Uani 1 1 d . . . O17 O 0.6997(5) 0.6072(5) 0.0535(3) 0.090(3) Uani 1 1 d . . . O18 O 0.8140(4) 0.6597(5) 0.0262(3) 0.0698(19) Uani 1 1 d . . . O19 O 0.7092(4) 0.6564(5) -0.0194(3) 0.072(2) Uani 1 1 d . . . O20 O 0.4694(3) 0.8633(4) 0.12433(18) 0.0414(13) Uani 1 1 d . . . O21 O 0.4901(4) 1.0167(5) 0.1463(2) 0.0648(18) Uani 1 1 d . . . O22 O 0.4078(3) 0.9825(4) 0.0871(2) 0.0511(15) Uani 1 1 d . . . O23 O 0.4858(3) 0.6149(4) 0.1308(2) 0.0437(14) Uani 1 1 d . . . O24 O 0.5602(4) 0.4900(5) 0.1103(2) 0.0624(18) Uani 1 1 d . . . O25 O 0.4483(4) 0.4639(5) 0.1481(2) 0.0650(18) Uani 1 1 d . . . O26 O 0.2993(4) 0.5851(5) 0.2392(2) 0.0609(18) Uani 1 1 d . . . O27 O 0.4099(4) 0.5018(5) 0.2523(2) 0.0645(18) Uani 1 1 d . . . O28 O 0.3025(4) 0.4726(5) 0.2932(2) 0.073(2) Uani 1 1 d . . . O29 O 0.2123(4) 0.8895(5) -0.0510(2) 0.0628(18) Uani 1 1 d . . . O30 O 0.3337(4) 0.8654(6) -0.0223(3) 0.075(2) Uani 1 1 d . . . O31 O 0.2286(4) 0.8462(5) 0.0226(2) 0.0620(17) Uani 1 1 d . . . O32 O -0.0350(3) 0.6484(5) -0.1136(2) 0.0543(16) Uani 1 1 d . . . O33 O -0.0217(4) 0.4892(5) -0.1259(2) 0.070(2) Uani 1 1 d . . . O34 O -0.1149(3) 0.5434(4) -0.0780(2) 0.0504(15) Uani 1 1 d . . . O35 O 0.1774(4) 0.5211(5) -0.2163(3) 0.072(2) Uani 1 1 d . . . O36 O 0.1864(4) 0.4202(5) -0.2760(2) 0.0581(17) Uani 1 1 d . . . O37 O 0.0720(4) 0.4395(6) -0.2394(2) 0.077(2) Uani 1 1 d . . . O38 O 0.0744(4) 1.0046(5) -0.1140(3) 0.075(2) Uani 1 1 d . . . O39 O -0.0006(3) 0.8750(5) -0.12535(19) 0.0487(15) Uani 1 1 d . . . O40 O -0.0383(5) 1.0186(6) -0.1534(3) 0.082(2) Uani 1 1 d . . . N1 N 0.7416(5) 0.6416(5) 0.0194(4) 0.055(2) Uani 1 1 d . . . N2 N 0.4557(4) 0.9567(6) 0.1192(2) 0.0420(17) Uani 1 1 d . . . N3 N 0.4980(5) 0.5198(6) 0.1295(2) 0.0468(18) Uani 1 1 d . . . N4 N 0.3372(5) 0.5190(5) 0.2625(3) 0.0454(18) Uani 1 1 d . . . N5 N 0.2576(5) 0.8663(5) -0.0166(3) 0.0502(19) Uani 1 1 d . . . N6 N -0.0575(4) 0.5588(6) -0.1062(3) 0.0486(18) Uani 1 1 d . . . N7 N 0.1446(5) 0.4596(6) -0.2438(3) 0.0472(18) Uani 1 1 d . . . N8 N 0.0129(5) 0.9700(7) -0.1312(3) 0.052(2) Uani 1 1 d . . . C1 C 0.5804(5) 0.8857(6) 0.0148(3) 0.045(2) Uani 1 1 d . . . H1A H 0.6099 0.9354 -0.0032 0.054 Uiso 1 1 calc R . . H1B H 0.5377 0.9191 0.0324 0.054 Uiso 1 1 calc R . . C2 C 0.5430(5) 0.8110(7) -0.0185(3) 0.051(2) Uani 1 1 d . . . H2A H 0.5072 0.8443 -0.0413 0.061 Uiso 1 1 calc R . . H2B H 0.5856 0.7771 -0.0359 0.061 Uiso 1 1 calc R . . C3 C 0.4613(5) 0.6653(7) -0.0210(3) 0.046(2) Uani 1 1 d . . . H3A H 0.5037 0.6322 -0.0390 0.056 Uiso 1 1 calc R . . H3B H 0.4229 0.6953 -0.0434 0.056 Uiso 1 1 calc R . . C4 C 0.4178(5) 0.5911(6) 0.0092(3) 0.046(2) Uani 1 1 d . . . H4A H 0.3983 0.5362 -0.0103 0.055 Uiso 1 1 calc R . . H4B H 0.4549 0.5649 0.0334 0.055 Uiso 1 1 calc R . . C5 C 0.3068(5) 0.5786(6) 0.0635(3) 0.048(2) Uani 1 1 d . . . H5A H 0.3442 0.5529 0.0877 0.058 Uiso 1 1 calc R . . H5B H 0.2828 0.5225 0.0466 0.058 Uiso 1 1 calc R . . C6 C 0.2410(5) 0.6372(6) 0.0865(3) 0.042(2) Uani 1 1 d . . . H6A H 0.2060 0.6672 0.0623 0.051 Uiso 1 1 calc R . . H6B H 0.2078 0.5939 0.1059 0.051 Uiso 1 1 calc R . . C7 C 0.2174(5) 0.7732(7) 0.1385(3) 0.045(2) Uani 1 1 d . . . H7A H 0.1851 0.7323 0.1596 0.053 Uiso 1 1 calc R . . H7B H 0.1809 0.8022 0.1147 0.053 Uiso 1 1 calc R . . C8 C 0.2586(5) 0.8533(6) 0.1662(3) 0.049(2) Uani 1 1 d . . . H8A H 0.2926 0.8927 0.1453 0.059 Uiso 1 1 calc R . . H8B H 0.2179 0.8968 0.1799 0.059 Uiso 1 1 calc R . . C9 C 0.3499(5) 0.8835(6) 0.2308(3) 0.043(2) Uani 1 1 d . . . H9A H 0.3112 0.9280 0.2457 0.052 Uiso 1 1 calc R . . H9B H 0.3856 0.9227 0.2108 0.052 Uiso 1 1 calc R . . C10 C 0.3984(5) 0.8311(7) 0.2674(3) 0.046(2) Uani 1 1 d . . . H10A H 0.4232 0.8791 0.2890 0.055 Uiso 1 1 calc R . . H10B H 0.3630 0.7882 0.2857 0.055 Uiso 1 1 calc R . . C11 C 0.5093(5) 0.7204(6) 0.2810(3) 0.046(2) Uani 1 1 d . . . H11A H 0.4742 0.6813 0.3015 0.056 Uiso 1 1 calc R . . H11B H 0.5402 0.7668 0.3007 0.056 Uiso 1 1 calc R . . C12 C 0.5664(5) 0.6535(7) 0.2543(3) 0.046(2) Uani 1 1 d . . . H12A H 0.5970 0.6122 0.2766 0.055 Uiso 1 1 calc R . . H12B H 0.5352 0.6104 0.2332 0.055 Uiso 1 1 calc R . . C13 C 0.6728(5) 0.6525(7) 0.1990(3) 0.053(2) Uani 1 1 d . . . H13A H 0.6402 0.6129 0.1770 0.064 Uiso 1 1 calc R . . H13B H 0.7049 0.6079 0.2190 0.064 Uiso 1 1 calc R . . C14 C 0.7292(5) 0.7227(7) 0.1716(3) 0.050(2) Uani 1 1 d . . . H14A H 0.7587 0.7655 0.1938 0.060 Uiso 1 1 calc R . . H14B H 0.7688 0.6844 0.1539 0.060 Uiso 1 1 calc R . . C15 C 0.7288(5) 0.8465(6) 0.1104(3) 0.044(2) Uani 1 1 d . . . H15A H 0.7664 0.8073 0.0916 0.053 Uiso 1 1 calc R . . H15B H 0.7608 0.8909 0.1306 0.053 Uiso 1 1 calc R . . C16 C 0.6752(6) 0.9045(7) 0.0788(3) 0.052(2) Uani 1 1 d . . . H16A H 0.6354 0.9406 0.0975 0.063 Uiso 1 1 calc R . . H16B H 0.7072 0.9522 0.0611 0.063 Uiso 1 1 calc R . . C17 C -0.1105(5) 0.9425(7) -0.0263(3) 0.049(2) Uani 1 1 d . . . H17A H -0.1310 1.0058 -0.0150 0.058 Uiso 1 1 calc R . . H17B H -0.0684 0.9555 -0.0496 0.058 Uiso 1 1 calc R . . C18 C -0.0758(5) 0.8845(7) 0.0139(3) 0.050(2) Uani 1 1 d . . . H18A H -0.0377 0.9255 0.0321 0.060 Uiso 1 1 calc R . . H18B H -0.1194 0.8641 0.0349 0.060 Uiso 1 1 calc R . . C19 C 0.0004(5) 0.7384(8) 0.0333(3) 0.056(3) Uani 1 1 d . . . H19A H -0.0411 0.7233 0.0566 0.067 Uiso 1 1 calc R . . H19B H 0.0443 0.7745 0.0493 0.067 Uiso 1 1 calc R . . C20 C 0.0325(5) 0.6451(8) 0.0129(3) 0.057(3) Uani 1 1 d . . . H20A H 0.0500 0.6008 0.0383 0.068 Uiso 1 1 calc R . . H20B H -0.0102 0.6121 -0.0055 0.068 Uiso 1 1 calc R . . C21 C 0.1356(5) 0.5825(7) -0.0386(3) 0.052(2) Uani 1 1 d . . . H21A H 0.0952 0.5489 -0.0584 0.063 Uiso 1 1 calc R . . H21B H 0.1545 0.5365 -0.0142 0.063 Uiso 1 1 calc R . . C22 C 0.2063(5) 0.6163(7) -0.0682(3) 0.051(2) Uani 1 1 d . . . H22A H 0.2450 0.6533 -0.0486 0.062 Uiso 1 1 calc R . . H22B H 0.2343 0.5591 -0.0813 0.062 Uiso 1 1 calc R . . C23 C 0.2389(5) 0.7197(7) -0.1346(3) 0.053(2) Uani 1 1 d . . . H23A H 0.2650 0.6675 -0.1527 0.064 Uiso 1 1 calc R . . H23B H 0.2801 0.7505 -0.1142 0.064 Uiso 1 1 calc R . . C24 C 0.2030(5) 0.7956(7) -0.1678(3) 0.056(2) Uani 1 1 d . . . H24A H 0.1734 0.8456 -0.1500 0.067 Uiso 1 1 calc R . . H24B H 0.2461 0.8283 -0.1854 0.067 Uiso 1 1 calc R . . C25 C 0.1073(6) 0.8095(7) -0.2317(3) 0.056(2) Uani 1 1 d . . . H25A H 0.1467 0.8460 -0.2505 0.067 Uiso 1 1 calc R . . H25B H 0.0750 0.8571 -0.2140 0.067 Uiso 1 1 calc R . . C26 C 0.0536(6) 0.7502(8) -0.2633(3) 0.061(3) Uani 1 1 d . . . H26A H 0.0275 0.7930 -0.2868 0.073 Uiso 1 1 calc R . . H26B H 0.0856 0.7007 -0.2799 0.073 Uiso 1 1 calc R . . C27 C -0.0663(6) 0.6445(8) -0.2632(3) 0.059(3) Uani 1 1 d . . . H27A H -0.0376 0.5943 -0.2814 0.071 Uiso 1 1 calc R . . H27B H -0.0951 0.6879 -0.2854 0.071 Uiso 1 1 calc R . . C28 C -0.1259(5) 0.5960(7) -0.2305(4) 0.059(3) Uani 1 1 d . . . H28A H -0.1612 0.5509 -0.2483 0.071 Uiso 1 1 calc R . . H28B H -0.0968 0.5584 -0.2062 0.071 Uiso 1 1 calc R . . C29 C -0.2319(5) 0.6315(7) -0.1750(3) 0.048(2) Uani 1 1 d . . . H29A H -0.2034 0.5993 -0.1487 0.058 Uiso 1 1 calc R . . H29B H -0.2678 0.5833 -0.1903 0.058 Uiso 1 1 calc R . . C30 C -0.2799(5) 0.7192(7) -0.1578(3) 0.047(2) Uani 1 1 d . . . H30A H -0.3014 0.7566 -0.1848 0.057 Uiso 1 1 calc R . . H30B H -0.3256 0.6968 -0.1389 0.057 Uiso 1 1 calc R . . C31 C -0.2694(5) 0.8662(6) -0.1123(3) 0.043(2) Uani 1 1 d . . . H31A H -0.3108 0.8460 -0.0898 0.051 Uiso 1 1 calc R . . H31B H -0.2965 0.9005 -0.1385 0.051 Uiso 1 1 calc R . . C32 C -0.2099(5) 0.9337(6) -0.0886(3) 0.047(2) Uani 1 1 d . . . H32A H -0.1669 0.9508 -0.1107 0.057 Uiso 1 1 calc R . . H32B H -0.2372 0.9946 -0.0793 0.057 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 0.0472(4) 0.0380(4) 0.0495(4) 0.0074(3) -0.0008(3) -0.0073(3) Ag2 0.0470(4) 0.0354(4) 0.0495(4) -0.0066(3) 0.0024(3) -0.0017(3) Ag3 0.0509(4) 0.0393(4) 0.0417(4) 0.0002(3) 0.0032(3) 0.0057(3) Ag4 0.0437(4) 0.0420(4) 0.0487(4) 0.0057(3) -0.0028(3) 0.0037(3) Ag5 0.0505(4) 0.0394(4) 0.0528(4) 0.0098(3) 0.0068(3) 0.0038(3) Ag6 0.0551(4) 0.0551(5) 0.0532(4) -0.0034(4) 0.0112(3) -0.0027(3) Ag7 0.0441(4) 0.0469(4) 0.0450(4) -0.0040(3) 0.0022(3) -0.0004(3) Ag8 0.0621(4) 0.0382(4) 0.0534(4) -0.0019(3) -0.0108(3) 0.0036(3) O1 0.040(3) 0.041(3) 0.032(3) 0.004(3) -0.001(2) 0.002(2) O2 0.043(3) 0.041(3) 0.040(3) -0.003(3) -0.001(2) 0.003(3) O3 0.037(3) 0.033(3) 0.044(3) -0.002(3) 0.002(2) 0.001(2) O4 0.049(3) 0.040(3) 0.040(3) -0.003(3) 0.001(3) 0.003(3) O5 0.042(3) 0.041(3) 0.029(3) -0.001(2) -0.008(2) 0.001(2) O6 0.042(3) 0.041(4) 0.046(3) 0.006(3) 0.003(3) 0.003(3) O7 0.039(3) 0.037(3) 0.045(3) -0.002(3) 0.001(2) -0.002(2) O8 0.049(3) 0.040(4) 0.042(3) 0.008(3) 0.003(3) 0.001(3) O9 0.041(3) 0.052(4) 0.031(3) 0.000(3) -0.003(2) -0.004(3) O10 0.042(3) 0.047(4) 0.051(3) 0.015(3) -0.001(3) 0.001(3) O11 0.038(3) 0.042(4) 0.058(4) 0.009(3) 0.003(3) 0.003(3) O12 0.055(4) 0.050(4) 0.061(4) 0.005(3) 0.003(3) 0.003(3) O13 0.050(3) 0.059(4) 0.040(3) -0.007(3) 0.003(3) 0.004(3) O14 0.046(3) 0.044(4) 0.062(4) -0.010(3) 0.003(3) 0.002(3) O15 0.036(3) 0.031(3) 0.038(3) -0.006(2) 0.002(2) 0.004(2) O16 0.044(3) 0.041(4) 0.048(3) -0.006(3) -0.002(3) -0.001(3) O17 0.087(5) 0.048(5) 0.136(7) 0.024(5) 0.056(5) 0.021(4) O18 0.051(4) 0.072(5) 0.086(5) 0.001(4) 0.000(4) -0.003(3) O19 0.072(5) 0.052(5) 0.090(5) -0.021(4) -0.021(4) 0.010(4) O20 0.051(3) 0.035(4) 0.038(3) 0.003(3) -0.008(3) 0.005(3) O21 0.076(4) 0.052(4) 0.066(4) -0.024(4) -0.015(4) -0.011(3) O22 0.048(3) 0.051(4) 0.054(4) 0.015(3) -0.007(3) 0.009(3) O23 0.041(3) 0.038(4) 0.052(4) 0.004(3) 0.003(3) -0.002(3) O24 0.062(4) 0.061(5) 0.065(4) -0.020(4) 0.015(3) 0.005(3) O25 0.071(4) 0.058(5) 0.067(4) 0.015(4) 0.014(4) -0.017(4) O26 0.064(4) 0.047(4) 0.071(4) 0.026(4) 0.008(3) 0.014(3) O27 0.055(4) 0.072(5) 0.067(4) 0.018(4) -0.008(3) -0.003(3) O28 0.083(5) 0.067(5) 0.071(5) 0.031(4) 0.019(4) -0.009(4) O29 0.074(4) 0.053(4) 0.061(4) 0.013(3) -0.030(4) -0.019(3) O30 0.050(4) 0.077(5) 0.097(6) 0.019(4) 0.006(4) 0.004(4) O31 0.082(5) 0.038(4) 0.066(4) 0.018(3) 0.007(4) 0.011(3) O32 0.050(4) 0.061(5) 0.053(4) 0.012(3) 0.007(3) -0.001(3) O33 0.077(5) 0.066(5) 0.068(4) -0.003(4) 0.016(4) 0.021(4) O34 0.048(3) 0.045(4) 0.059(4) 0.009(3) 0.017(3) -0.004(3) O35 0.049(4) 0.068(5) 0.098(5) -0.038(4) 0.007(4) -0.003(3) O36 0.051(4) 0.055(4) 0.069(4) -0.017(3) 0.004(3) 0.012(3) O37 0.049(4) 0.106(6) 0.077(5) -0.018(4) 0.015(4) -0.024(4) O38 0.064(4) 0.074(5) 0.088(5) -0.033(4) -0.019(4) -0.014(4) O39 0.058(4) 0.047(4) 0.041(3) 0.003(3) -0.005(3) -0.006(3) O40 0.077(5) 0.080(6) 0.089(5) 0.047(5) -0.007(4) -0.014(4) N1 0.048(5) 0.019(4) 0.099(7) -0.011(4) 0.019(5) 0.003(3) N2 0.038(4) 0.047(5) 0.042(4) -0.001(4) 0.005(3) 0.009(4) N3 0.056(5) 0.046(5) 0.038(4) -0.001(4) 0.003(4) 0.000(4) N4 0.046(5) 0.041(5) 0.050(5) -0.010(4) 0.001(4) -0.006(4) N5 0.055(5) 0.033(4) 0.062(5) 0.001(4) -0.001(4) -0.001(4) N6 0.046(5) 0.053(6) 0.046(4) 0.002(4) -0.007(4) 0.008(4) N7 0.048(5) 0.038(5) 0.055(5) 0.003(4) -0.004(4) 0.002(4) N8 0.054(5) 0.070(7) 0.034(4) -0.003(4) 0.015(4) 0.002(5) C1 0.059(5) 0.036(5) 0.041(5) 0.008(4) 0.019(4) 0.001(4) C2 0.055(5) 0.060(6) 0.038(5) 0.006(5) 0.005(4) 0.006(5) C3 0.049(5) 0.052(6) 0.038(5) -0.009(4) 0.003(4) 0.001(4) C4 0.047(5) 0.042(5) 0.050(5) -0.024(4) -0.009(4) 0.011(4) C5 0.046(5) 0.028(5) 0.071(6) -0.016(4) 0.001(4) -0.008(4) C6 0.038(4) 0.043(5) 0.045(5) 0.000(4) -0.003(4) -0.010(4) C7 0.032(4) 0.054(6) 0.048(5) 0.006(4) 0.000(4) 0.004(4) C8 0.036(5) 0.025(5) 0.086(7) 0.009(5) 0.009(4) 0.006(4) C9 0.045(5) 0.036(5) 0.049(5) -0.012(4) 0.006(4) 0.001(4) C10 0.060(5) 0.047(6) 0.032(4) -0.009(4) 0.003(4) 0.002(4) C11 0.049(5) 0.041(5) 0.049(5) 0.017(4) -0.003(4) -0.004(4) C12 0.047(5) 0.048(6) 0.043(5) 0.014(4) -0.009(4) 0.001(4) C13 0.045(5) 0.055(6) 0.059(6) -0.003(5) -0.013(4) 0.016(4) C14 0.037(5) 0.064(6) 0.049(5) 0.002(5) -0.003(4) 0.007(4) C15 0.037(5) 0.038(5) 0.059(5) -0.004(4) 0.007(4) -0.010(4) C16 0.065(6) 0.052(6) 0.041(5) -0.004(5) 0.013(4) -0.015(5) C17 0.040(5) 0.041(6) 0.065(6) -0.015(5) 0.008(4) 0.000(4) C18 0.048(5) 0.057(6) 0.044(5) -0.021(5) 0.000(4) -0.013(4) C19 0.039(5) 0.081(8) 0.047(5) 0.017(5) -0.007(4) -0.004(5) C20 0.042(5) 0.074(7) 0.053(6) 0.042(5) -0.001(4) -0.008(5) C21 0.062(6) 0.040(6) 0.054(6) 0.017(5) -0.016(5) -0.006(5) C22 0.049(5) 0.041(6) 0.064(6) 0.001(5) -0.010(5) 0.013(4) C23 0.044(5) 0.068(7) 0.049(5) 0.000(5) 0.010(4) 0.001(5) C24 0.051(5) 0.049(6) 0.069(6) -0.007(5) 0.016(5) -0.002(5) C25 0.069(6) 0.047(6) 0.052(5) 0.003(5) 0.018(5) 0.007(5) C26 0.065(6) 0.077(8) 0.041(5) -0.007(5) 0.017(5) 0.017(5) C27 0.066(6) 0.066(7) 0.046(5) -0.015(5) -0.004(5) 0.022(5) C28 0.053(6) 0.058(7) 0.067(6) -0.031(5) -0.002(5) 0.012(5) C29 0.054(5) 0.050(6) 0.042(5) -0.014(4) -0.003(4) -0.008(4) C30 0.031(4) 0.052(6) 0.058(6) 0.003(5) -0.002(4) -0.004(4) C31 0.038(5) 0.045(5) 0.045(5) 0.014(4) 0.008(4) 0.011(4) C32 0.047(5) 0.040(5) 0.054(6) 0.000(4) 0.001(4) 0.006(4) _geom_special_details ; All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s 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 O23 2.315(5) . ? Ag1 O17 2.357(7) . ? Ag1 O8 2.413(5) . ? Ag1 O1 2.568(5) . ? Ag1 O7 2.593(5) . ? Ag2 O2 2.430(6) . ? Ag2 O20 2.473(5) . ? Ag2 O30 2.508(7) . ? Ag2 O22 2.527(6) . ? Ag3 O23 2.294(5) . ? Ag3 O26 2.353(6) . ? Ag3 O4 2.472(5) . ? Ag4 O20 2.421(5) . ? Ag4 O6 2.446(5) . ? Ag4 O27 2.491(6) 2_655 ? Ag4 O7 2.591(5) . ? Ag5 O39 2.300(6) . ? Ag5 O29 2.365(6) . ? Ag5 O10 2.405(5) . ? Ag5 O11 2.595(5) . ? Ag6 O35 2.343(6) . ? Ag6 O12 2.448(6) . ? Ag6 O33 2.516(7) . ? Ag6 O32 2.534(6) . ? Ag7 O39 2.298(6) . ? Ag7 O36 2.402(6) 2_554 ? Ag7 O14 2.444(6) . ? Ag7 O13 2.583(5) . ? Ag8 O16 2.396(6) 1_655 ? Ag8 O34 2.423(6) 1_655 ? Ag8 O18 2.480(7) . ? Ag8 O15 2.589(5) 1_655 ? O1 C3 1.427(9) . ? O1 C2 1.433(10) . ? O2 C5 1.424(10) . ? O2 C4 1.425(9) . ? O3 C6 1.436(9) . ? O3 C7 1.434(9) . ? O4 C8 1.404(10) . ? O4 C9 1.426(9) . ? O5 C10 1.417(9) . ? O5 C11 1.450(9) . ? O6 C12 1.414(9) . ? O6 C13 1.422(10) . ? O7 C15 1.434(9) . ? O7 C14 1.435(9) . ? O8 C1 1.398(10) . ? O8 C16 1.428(10) . ? O9 C19 1.426(10) . ? O9 C18 1.440(10) . ? O10 C21 1.408(10) . ? O10 C20 1.441(9) . ? O11 C23 1.431(10) . ? O11 C22 1.436(10) . ? O12 C24 1.420(10) . ? O12 C25 1.423(10) . ? O13 C27 1.453(11) . ? O13 C26 1.456(10) . ? O14 C28 1.408(10) . ? O14 C29 1.481(10) . ? O15 C30 1.419(9) . ? O15 C31 1.437(9) . ? O15 Ag8 2.589(5) 1_455 ? O16 C17 1.423(9) . ? O16 C32 1.423(10) . ? O16 Ag8 2.396(6) 1_455 ? O17 N1 1.270(10) . ? O18 N1 1.218(9) . ? O19 N1 1.221(10) . ? O20 N2 1.284(8) . ? O21 N2 1.238(9) . ? O22 N2 1.234(8) . ? O23 N3 1.294(9) . ? O24 N3 1.222(8) . ? O25 N3 1.229(9) . ? O26 N4 1.260(9) . ? O27 N4 1.247(8) . ? O27 Ag4 2.491(6) 2_645 ? O28 N4 1.211(9) . ? O29 N5 1.248(9) . ? O30 N5 1.255(9) . ? O31 N5 1.234(9) . ? O32 N6 1.278(9) . ? O33 N6 1.238(9) . ? O34 N6 1.251(8) . ? O34 Ag8 2.423(6) 1_455 ? O35 N7 1.247(9) . ? O36 N7 1.257(9) . ? O36 Ag7 2.402(6) 2_544 ? O37 N7 1.224(8) . ? O38 N8 1.202(9) . ? O39 N8 1.308(9) . ? O40 N8 1.226(10) . ? C1 C2 1.497(12) . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 C4 1.495(12) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 C6 1.486(11) . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 C8 1.484(12) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C9 C10 1.468(11) . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C10 H10A 0.9700 . ? C10 H10B 0.9700 . ? C11 C12 1.503(12) . ? C11 H11A 0.9700 . ? C11 H11B 0.9700 . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C14 1.533(12) . ? C13 H13A 0.9700 . ? C13 H13B 0.9700 . ? C14 H14A 0.9700 . ? C14 H14B 0.9700 . ? C15 C16 1.463(12) . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C17 C18 1.478(12) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C19 C20 1.479(13) . ? C19 H19A 0.9700 . ? C19 H19B 0.9700 . ? C20 H20A 0.9700 . ? C20 H20B 0.9700 . ? C21 C22 1.503(12) . ? C21 H21A 0.9700 . ? C21 H21B 0.9700 . ? C22 H22A 0.9700 . ? C22 H22B 0.9700 . ? C23 C24 1.496(12) . ? C23 H23A 0.9700 . ? C23 H23B 0.9700 . ? C24 H24A 0.9700 . ? C24 H24B 0.9700 . ? C25 C26 1.473(13) . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C27 C28 1.495(13) . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C28 H28A 0.9700 . ? C28 H28B 0.9700 . ? C29 C30 1.500(12) . ? C29 H29A 0.9700 . ? C29 H29B 0.9700 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C32 1.480(12) . ? C31 H31A 0.9700 . ? C31 H31B 0.9700 . ? C32 H32A 0.9700 . ? C32 H32B 0.9700 . ? 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 O23 Ag1 O17 124.7(2) . . ? O23 Ag1 O8 147.60(19) . . ? O17 Ag1 O8 87.2(2) . . ? O23 Ag1 O1 103.24(18) . . ? O17 Ag1 O1 106.7(3) . . ? O8 Ag1 O1 68.22(17) . . ? O23 Ag1 O7 105.01(18) . . ? O17 Ag1 O7 86.2(3) . . ? O8 Ag1 O7 68.09(17) . . ? O1 Ag1 O7 133.52(17) . . ? O2 Ag2 O20 128.67(18) . . ? O2 Ag2 O30 86.8(2) . . ? O20 Ag2 O30 137.8(2) . . ? O2 Ag2 O22 178.21(18) . . ? O20 Ag2 O22 51.08(18) . . ? O30 Ag2 O22 92.7(2) . . ? O23 Ag3 O26 139.1(2) . . ? O23 Ag3 O4 137.35(19) . . ? O26 Ag3 O4 83.5(2) . . ? O20 Ag4 O6 123.85(19) . . ? O20 Ag4 O27 125.9(2) . 2_655 ? O6 Ag4 O27 106.9(2) . 2_655 ? O20 Ag4 O7 92.92(17) . . ? O6 Ag4 O7 68.28(17) . . ? O27 Ag4 O7 124.70(19) 2_655 . ? O39 Ag5 O29 119.7(2) . . ? O39 Ag5 O10 140.3(2) . . ? O29 Ag5 O10 99.2(2) . . ? O39 Ag5 O11 107.00(19) . . ? O29 Ag5 O11 82.8(2) . . ? O10 Ag5 O11 67.77(18) . . ? O35 Ag6 O12 79.9(2) . . ? O35 Ag6 O33 118.4(2) . . ? O12 Ag6 O33 161.4(2) . . ? O35 Ag6 O32 168.6(2) . . ? O12 Ag6 O32 110.3(2) . . ? O33 Ag6 O32 51.1(2) . . ? O39 Ag7 O36 122.6(2) . 2_554 ? O39 Ag7 O14 147.7(2) . . ? O36 Ag7 O14 88.1(2) 2_554 . ? O39 Ag7 O13 104.06(19) . . ? O36 Ag7 O13 112.6(2) 2_554 . ? O14 Ag7 O13 67.95(18) . . ? O16 Ag8 O34 169.49(19) 1_655 1_655 ? O16 Ag8 O18 98.5(2) 1_655 . ? O34 Ag8 O18 92.0(2) 1_655 . ? O16 Ag8 O15 69.17(17) 1_655 1_655 ? O34 Ag8 O15 103.68(18) 1_655 1_655 ? O18 Ag8 O15 136.46(19) . 1_655 ? C3 O1 C2 112.0(6) . . ? C3 O1 Ag1 118.8(5) . . ? C2 O1 Ag1 109.1(4) . . ? C5 O2 C4 114.1(6) . . ? C5 O2 Ag2 114.5(4) . . ? C4 O2 Ag2 115.6(5) . . ? C6 O3 C7 111.7(6) . . ? C8 O4 C9 113.5(6) . . ? C8 O4 Ag3 116.7(5) . . ? C9 O4 Ag3 116.3(4) . . ? C10 O5 C11 111.6(6) . . ? C12 O6 C13 111.5(7) . . ? C12 O6 Ag4 117.8(4) . . ? C13 O6 Ag4 116.0(5) . . ? C15 O7 C14 112.9(6) . . ? C15 O7 Ag4 117.3(5) . . ? C14 O7 Ag4 106.5(4) . . ? C15 O7 Ag1 106.5(4) . . ? C14 O7 Ag1 117.0(5) . . ? Ag4 O7 Ag1 96.01(16) . . ? C1 O8 C16 113.8(7) . . ? C1 O8 Ag1 115.0(5) . . ? C16 O8 Ag1 115.4(5) . . ? C19 O9 C18 112.6(6) . . ? C21 O10 C20 113.8(7) . . ? C21 O10 Ag5 117.1(5) . . ? C20 O10 Ag5 115.2(5) . . ? C23 O11 C22 113.0(6) . . ? C23 O11 Ag5 113.0(5) . . ? C22 O11 Ag5 106.5(5) . . ? C24 O12 C25 112.9(7) . . ? C24 O12 Ag6 119.3(5) . . ? C25 O12 Ag6 117.8(5) . . ? C27 O13 C26 112.6(6) . . ? C27 O13 Ag7 106.5(5) . . ? C26 O13 Ag7 116.8(5) . . ? C28 O14 C29 111.8(7) . . ? C28 O14 Ag7 115.1(5) . . ? C29 O14 Ag7 114.2(4) . . ? C30 O15 C31 111.4(6) . . ? C30 O15 Ag8 121.7(5) . 1_455 ? C31 O15 Ag8 103.9(4) . 1_455 ? C17 O16 C32 113.0(6) . . ? C17 O16 Ag8 115.3(5) . 1_455 ? C32 O16 Ag8 115.3(5) . 1_455 ? N1 O17 Ag1 122.6(5) . . ? N1 O18 Ag8 99.0(6) . . ? N2 O20 Ag4 101.4(4) . . ? N2 O20 Ag2 96.2(4) . . ? Ag4 O20 Ag2 162.4(3) . . ? N2 O22 Ag2 95.0(5) . . ? N3 O23 Ag3 112.8(4) . . ? N3 O23 Ag1 107.2(4) . . ? Ag3 O23 Ag1 139.8(3) . . ? N4 O26 Ag3 111.2(5) . . ? N4 O27 Ag4 97.2(5) . 2_645 ? N5 O29 Ag5 123.1(5) . . ? N5 O30 Ag2 98.7(5) . . ? N6 O32 Ag6 93.4(5) . . ? N6 O33 Ag6 95.4(5) . . ? N6 O34 Ag8 100.9(5) . 1_455 ? N7 O35 Ag6 108.9(5) . . ? N7 O36 Ag7 106.0(5) . 2_544 ? N8 O39 Ag7 112.0(5) . . ? N8 O39 Ag5 110.2(5) . . ? Ag7 O39 Ag5 137.5(3) . . ? O18 N1 O19 120.9(9) . . ? O18 N1 O17 119.2(10) . . ? O19 N1 O17 119.9(9) . . ? O21 N2 O22 122.9(8) . . ? O21 N2 O20 119.4(7) . . ? O22 N2 O20 117.7(7) . . ? O24 N3 O25 123.0(8) . . ? O24 N3 O23 117.7(7) . . ? O25 N3 O23 119.3(7) . . ? O28 N4 O27 121.6(8) . . ? O28 N4 O26 120.1(8) . . ? O27 N4 O26 118.3(7) . . ? O31 N5 O29 120.9(8) . . ? O31 N5 O30 120.3(8) . . ? O29 N5 O30 118.8(8) . . ? O33 N6 O34 121.3(8) . . ? O33 N6 O32 120.1(8) . . ? O34 N6 O32 118.6(7) . . ? O37 N7 O35 119.5(8) . . ? O37 N7 O36 121.1(8) . . ? O35 N7 O36 119.4(7) . . ? O38 N8 O40 124.0(10) . . ? O38 N8 O39 118.0(8) . . ? O40 N8 O39 118.0(8) . . ? O8 C1 C2 109.9(7) . . ? O8 C1 H1A 109.7 . . ? C2 C1 H1A 109.7 . . ? O8 C1 H1B 109.7 . . ? C2 C1 H1B 109.7 . . ? H1A C1 H1B 108.2 . . ? O1 C2 C1 109.0(6) . . ? O1 C2 H2A 109.9 . . ? C1 C2 H2A 109.9 . . ? O1 C2 H2B 109.9 . . ? C1 C2 H2B 109.9 . . ? H2A C2 H2B 108.3 . . ? O1 C3 C4 109.8(6) . . ? O1 C3 H3A 109.7 . . ? C4 C3 H3A 109.7 . . ? O1 C3 H3B 109.7 . . ? C4 C3 H3B 109.7 . . ? H3A C3 H3B 108.2 . . ? O2 C4 C3 108.3(7) . . ? O2 C4 H4A 110.0 . . ? C3 C4 H4A 110.0 . . ? O2 C4 H4B 110.0 . . ? C3 C4 H4B 110.0 . . ? H4A C4 H4B 108.4 . . ? O2 C5 C6 110.0(7) . . ? O2 C5 H5A 109.7 . . ? C6 C5 H5A 109.7 . . ? O2 C5 H5B 109.7 . . ? C6 C5 H5B 109.7 . . ? H5A C5 H5B 108.2 . . ? O3 C6 C5 109.0(6) . . ? O3 C6 H6A 109.9 . . ? C5 C6 H6A 109.9 . . ? O3 C6 H6B 109.9 . . ? C5 C6 H6B 109.9 . . ? H6A C6 H6B 108.3 . . ? O3 C7 C8 109.5(6) . . ? O3 C7 H7A 109.8 . . ? C8 C7 H7A 109.8 . . ? O3 C7 H7B 109.8 . . ? C8 C7 H7B 109.8 . . ? H7A C7 H7B 108.2 . . ? O4 C8 C7 109.8(7) . . ? O4 C8 H8A 109.7 . . ? C7 C8 H8A 109.7 . . ? O4 C8 H8B 109.7 . . ? C7 C8 H8B 109.7 . . ? H8A C8 H8B 108.2 . . ? O4 C9 C10 108.4(7) . . ? O4 C9 H9A 110.0 . . ? C10 C9 H9A 110.0 . . ? O4 C9 H9B 110.0 . . ? C10 C9 H9B 110.0 . . ? H9A C9 H9B 108.4 . . ? O5 C10 C9 110.2(6) . . ? O5 C10 H10A 109.6 . . ? C9 C10 H10A 109.6 . . ? O5 C10 H10B 109.6 . . ? C9 C10 H10B 109.6 . . ? H10A C10 H10B 108.1 . . ? O5 C11 C12 107.1(6) . . ? O5 C11 H11A 110.3 . . ? C12 C11 H11A 110.3 . . ? O5 C11 H11B 110.3 . . ? C12 C11 H11B 110.3 . . ? H11A C11 H11B 108.5 . . ? O6 C12 C11 109.3(7) . . ? O6 C12 H12A 109.8 . . ? C11 C12 H12A 109.8 . . ? O6 C12 H12B 109.8 . . ? C11 C12 H12B 109.8 . . ? H12A C12 H12B 108.3 . . ? O6 C13 C14 107.5(7) . . ? O6 C13 H13A 110.2 . . ? C14 C13 H13A 110.2 . . ? O6 C13 H13B 110.2 . . ? C14 C13 H13B 110.2 . . ? H13A C13 H13B 108.5 . . ? O7 C14 C13 109.0(6) . . ? O7 C14 H14A 109.9 . . ? C13 C14 H14A 109.9 . . ? O7 C14 H14B 109.9 . . ? C13 C14 H14B 109.9 . . ? H14A C14 H14B 108.3 . . ? O7 C15 C16 109.7(6) . . ? O7 C15 H15A 109.7 . . ? C16 C15 H15A 109.7 . . ? O7 C15 H15B 109.7 . . ? C16 C15 H15B 109.7 . . ? H15A C15 H15B 108.2 . . ? O8 C16 C15 108.8(7) . . ? O8 C16 H16A 109.9 . . ? C15 C16 H16A 109.9 . . ? O8 C16 H16B 109.9 . . ? C15 C16 H16B 109.9 . . ? H16A C16 H16B 108.3 . . ? O16 C17 C18 108.5(7) . . ? O16 C17 H17A 110.0 . . ? C18 C17 H17A 110.0 . . ? O16 C17 H17B 110.0 . . ? C18 C17 H17B 110.0 . . ? H17A C17 H17B 108.4 . . ? O9 C18 C17 109.8(6) . . ? O9 C18 H18A 109.7 . . ? C17 C18 H18A 109.7 . . ? O9 C18 H18B 109.7 . . ? C17 C18 H18B 109.7 . . ? H18A C18 H18B 108.2 . . ? O9 C19 C20 109.4(7) . . ? O9 C19 H19A 109.8 . . ? C20 C19 H19A 109.8 . . ? O9 C19 H19B 109.8 . . ? C20 C19 H19B 109.8 . . ? H19A C19 H19B 108.2 . . ? O10 C20 C19 109.6(7) . . ? O10 C20 H20A 109.7 . . ? C19 C20 H20A 109.7 . . ? O10 C20 H20B 109.7 . . ? C19 C20 H20B 109.7 . . ? H20A C20 H20B 108.2 . . ? O10 C21 C22 107.9(7) . . ? O10 C21 H21A 110.1 . . ? C22 C21 H21A 110.1 . . ? O10 C21 H21B 110.1 . . ? C22 C21 H21B 110.1 . . ? H21A C21 H21B 108.4 . . ? O11 C22 C21 108.7(6) . . ? O11 C22 H22A 109.9 . . ? C21 C22 H22A 109.9 . . ? O11 C22 H22B 109.9 . . ? C21 C22 H22B 109.9 . . ? H22A C22 H22B 108.3 . . ? O11 C23 C24 109.5(7) . . ? O11 C23 H23A 109.8 . . ? C24 C23 H23A 109.8 . . ? O11 C23 H23B 109.8 . . ? C24 C23 H23B 109.8 . . ? H23A C23 H23B 108.2 . . ? O12 C24 C23 107.2(8) . . ? O12 C24 H24A 110.3 . . ? C23 C24 H24A 110.3 . . ? O12 C24 H24B 110.3 . . ? C23 C24 H24B 110.3 . . ? H24A C24 H24B 108.5 . . ? O12 C25 C26 109.0(8) . . ? O12 C25 H25A 109.9 . . ? C26 C25 H25A 109.9 . . ? O12 C25 H25B 109.9 . . ? C26 C25 H25B 109.9 . . ? H25A C25 H25B 108.3 . . ? O13 C26 C25 108.9(7) . . ? O13 C26 H26A 109.9 . . ? C25 C26 H26A 109.9 . . ? O13 C26 H26B 109.9 . . ? C25 C26 H26B 109.9 . . ? H26A C26 H26B 108.3 . . ? O13 C27 C28 108.3(7) . . ? O13 C27 H27A 110.0 . . ? C28 C27 H27A 110.0 . . ? O13 C27 H27B 110.0 . . ? C28 C27 H27B 110.0 . . ? H27A C27 H27B 108.4 . . ? O14 C28 C27 107.6(8) . . ? O14 C28 H28A 110.2 . . ? C27 C28 H28A 110.2 . . ? O14 C28 H28B 110.2 . . ? C27 C28 H28B 110.2 . . ? H28A C28 H28B 108.5 . . ? O14 C29 C30 105.7(7) . . ? O14 C29 H29A 110.6 . . ? C30 C29 H29A 110.6 . . ? O14 C29 H29B 110.6 . . ? C30 C29 H29B 110.6 . . ? H29A C29 H29B 108.7 . . ? O15 C30 C29 108.5(6) . . ? O15 C30 H30A 110.0 . . ? C29 C30 H30A 110.0 . . ? O15 C30 H30B 110.0 . . ? C29 C30 H30B 110.0 . . ? H30A C30 H30B 108.4 . . ? O15 C31 C32 109.4(6) . . ? O15 C31 H31A 109.8 . . ? C32 C31 H31A 109.8 . . ? O15 C31 H31B 109.8 . . ? C32 C31 H31B 109.8 . . ? H31A C31 H31B 108.3 . . ? O16 C32 C31 109.9(7) . . ? O16 C32 H32A 109.7 . . ? C31 C32 H32A 109.7 . . ? O16 C32 H32B 109.7 . . ? C31 C32 H32B 109.7 . . ? H32A C32 H32B 108.2 . . ? 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 O23 Ag1 O1 C3 -66.3(5) . . . . ? O17 Ag1 O1 C3 66.6(5) . . . . ? O8 Ag1 O1 C3 146.6(5) . . . . ? O7 Ag1 O1 C3 167.5(4) . . . . ? O23 Ag1 O1 C2 163.7(5) . . . . ? O17 Ag1 O1 C2 -63.4(5) . . . . ? O8 Ag1 O1 C2 16.5(5) . . . . ? O7 Ag1 O1 C2 37.5(5) . . . . ? O20 Ag2 O2 C5 69.4(5) . . . . ? O30 Ag2 O2 C5 -135.6(5) . . . . ? O22 Ag2 O2 C5 151(6) . . . . ? O20 Ag2 O2 C4 -66.3(5) . . . . ? O30 Ag2 O2 C4 88.7(5) . . . . ? O22 Ag2 O2 C4 15(6) . . . . ? O23 Ag3 O4 C8 62.6(6) . . . . ? O26 Ag3 O4 C8 -115.5(5) . . . . ? O23 Ag3 O4 C9 -75.6(6) . . . . ? O26 Ag3 O4 C9 106.4(5) . . . . ? O20 Ag4 O6 C12 -68.4(6) . . . . ? O27 Ag4 O6 C12 91.9(5) 2_655 . . . ? O7 Ag4 O6 C12 -146.8(6) . . . . ? O20 Ag4 O6 C13 67.6(6) . . . . ? O27 Ag4 O6 C13 -132.1(5) 2_655 . . . ? O7 Ag4 O6 C13 -10.8(5) . . . . ? O20 Ag4 O7 C15 83.9(5) . . . . ? O6 Ag4 O7 C15 -150.6(5) . . . . ? O27 Ag4 O7 C15 -54.6(6) 2_655 . . . ? O20 Ag4 O7 C14 -148.6(5) . . . . ? O6 Ag4 O7 C14 -23.1(5) . . . . ? O27 Ag4 O7 C14 72.9(5) 2_655 . . . ? O20 Ag4 O7 Ag1 -28.08(19) . . . . ? O6 Ag4 O7 Ag1 97.4(2) . . . . ? O27 Ag4 O7 Ag1 -166.6(2) 2_655 . . . ? O23 Ag1 O7 C15 -166.8(4) . . . . ? O17 Ag1 O7 C15 68.3(5) . . . . ? O8 Ag1 O7 C15 -20.2(4) . . . . ? O1 Ag1 O7 C15 -41.2(5) . . . . ? O23 Ag1 O7 C14 65.9(5) . . . . ? O17 Ag1 O7 C14 -59.0(5) . . . . ? O8 Ag1 O7 C14 -147.5(5) . . . . ? O1 Ag1 O7 C14 -168.5(4) . . . . ? O23 Ag1 O7 Ag4 -46.0(2) . . . . ? O17 Ag1 O7 Ag4 -170.9(2) . . . . ? O8 Ag1 O7 Ag4 100.6(2) . . . . ? O1 Ag1 O7 Ag4 79.6(2) . . . . ? O23 Ag1 O8 C1 -64.4(6) . . . . ? O17 Ag1 O8 C1 125.2(5) . . . . ? O1 Ag1 O8 C1 15.9(5) . . . . ? O7 Ag1 O8 C1 -147.9(5) . . . . ? O23 Ag1 O8 C16 71.3(6) . . . . ? O17 Ag1 O8 C16 -99.2(6) . . . . ? O1 Ag1 O8 C16 151.5(6) . . . . ? O7 Ag1 O8 C16 -12.2(5) . . . . ? O39 Ag5 O10 C21 78.4(6) . . . . ? O29 Ag5 O10 C21 -90.0(5) . . . . ? O11 Ag5 O10 C21 -11.7(5) . . . . ? O39 Ag5 O10 C20 -59.3(7) . . . . ? O29 Ag5 O10 C20 132.3(6) . . . . ? O11 Ag5 O10 C20 -149.4(6) . . . . ? O39 Ag5 O11 C23 75.4(5) . . . . ? O29 Ag5 O11 C23 -43.5(5) . . . . ? O10 Ag5 O11 C23 -146.5(5) . . . . ? O39 Ag5 O11 C22 -160.0(5) . . . . ? O29 Ag5 O11 C22 81.1(5) . . . . ? O10 Ag5 O11 C22 -21.9(5) . . . . ? O35 Ag6 O12 C24 -103.3(6) . . . . ? O33 Ag6 O12 C24 66.7(9) . . . . ? O32 Ag6 O12 C24 71.6(6) . . . . ? O35 Ag6 O12 C25 113.4(6) . . . . ? O33 Ag6 O12 C25 -76.6(9) . . . . ? O32 Ag6 O12 C25 -71.7(6) . . . . ? O39 Ag7 O13 C27 167.9(5) . . . . ? O36 Ag7 O13 C27 -57.2(6) 2_554 . . . ? O14 Ag7 O13 C27 20.9(5) . . . . ? O39 Ag7 O13 C26 -65.4(6) . . . . ? O36 Ag7 O13 C26 69.5(6) 2_554 . . . ? O14 Ag7 O13 C26 147.6(6) . . . . ? O39 Ag7 O14 C28 -67.9(7) . . . . ? O36 Ag7 O14 C28 128.8(6) 2_554 . . . ? O13 Ag7 O14 C28 13.5(6) . . . . ? O39 Ag7 O14 C29 63.4(6) . . . . ? O36 Ag7 O14 C29 -99.9(5) 2_554 . . . ? O13 Ag7 O14 C29 144.8(5) . . . . ? O23 Ag1 O17 N1 165.1(7) . . . . ? O8 Ag1 O17 N1 -21.1(8) . . . . ? O1 Ag1 O17 N1 45.2(9) . . . . ? O7 Ag1 O17 N1 -89.3(8) . . . . ? O16 Ag8 O18 N1 91.0(5) 1_655 . . . ? O34 Ag8 O18 N1 -89.9(5) 1_655 . . . ? O15 Ag8 O18 N1 22.4(6) 1_655 . . . ? O6 Ag4 O20 N2 175.8(4) . . . . ? O27 Ag4 O20 N2 19.3(5) 2_655 . . . ? O7 Ag4 O20 N2 -118.5(4) . . . . ? O6 Ag4 O20 Ag2 -4.4(9) . . . . ? O27 Ag4 O20 Ag2 -161.0(7) 2_655 . . . ? O7 Ag4 O20 Ag2 61.2(8) . . . . ? O2 Ag2 O20 N2 178.2(4) . . . . ? O30 Ag2 O20 N2 37.2(5) . . . . ? O22 Ag2 O20 N2 0.5(4) . . . . ? O2 Ag2 O20 Ag4 -1.5(9) . . . . ? O30 Ag2 O20 Ag4 -142.6(7) . . . . ? O22 Ag2 O20 Ag4 -179.2(9) . . . . ? O2 Ag2 O22 N2 -83(6) . . . . ? O20 Ag2 O22 N2 -0.5(4) . . . . ? O30 Ag2 O22 N2 -156.9(4) . . . . ? O26 Ag3 O23 N3 5.7(7) . . . . ? O4 Ag3 O23 N3 -171.3(4) . . . . ? O26 Ag3 O23 Ag1 -169.2(3) . . . . ? O4 Ag3 O23 Ag1 13.8(6) . . . . ? O17 Ag1 O23 N3 -15.0(6) . . . . ? O8 Ag1 O23 N3 176.6(4) . . . . ? O1 Ag1 O23 N3 106.5(5) . . . . ? O7 Ag1 O23 N3 -110.8(5) . . . . ? O17 Ag1 O23 Ag3 160.1(4) . . . . ? O8 Ag1 O23 Ag3 -8.3(6) . . . . ? O1 Ag1 O23 Ag3 -78.4(4) . . . . ? O7 Ag1 O23 Ag3 64.3(4) . . . . ? O23 Ag3 O26 N4 37.8(7) . . . . ? O4 Ag3 O26 N4 -144.2(6) . . . . ? O39 Ag5 O29 N5 172.3(6) . . . . ? O10 Ag5 O29 N5 -16.2(7) . . . . ? O11 Ag5 O29 N5 -82.2(7) . . . . ? O2 Ag2 O30 N5 83.5(5) . . . . ? O20 Ag2 O30 N5 -125.9(5) . . . . ? O22 Ag2 O30 N5 -98.2(5) . . . . ? O35 Ag6 O32 N6 -25.3(13) . . . . ? O12 Ag6 O32 N6 -178.8(4) . . . . ? O33 Ag6 O32 N6 -0.8(4) . . . . ? O35 Ag6 O33 N6 175.5(5) . . . . ? O12 Ag6 O33 N6 6.7(10) . . . . ? O32 Ag6 O33 N6 0.8(4) . . . . ? O12 Ag6 O35 N7 -130.1(6) . . . . ? O33 Ag6 O35 N7 53.5(7) . . . . ? O32 Ag6 O35 N7 75.1(14) . . . . ? O36 Ag7 O39 N8 -18.6(6) 2_554 . . . ? O14 Ag7 O39 N8 -178.7(4) . . . . ? O13 Ag7 O39 N8 110.5(5) . . . . ? O36 Ag7 O39 Ag5 167.8(3) 2_554 . . . ? O14 Ag7 O39 Ag5 7.7(6) . . . . ? O13 Ag7 O39 Ag5 -63.1(4) . . . . ? O29 Ag5 O39 N8 -27.0(5) . . . . ? O10 Ag5 O39 N8 166.2(4) . . . . ? O11 Ag5 O39 N8 -118.4(5) . . . . ? O29 Ag5 O39 Ag7 146.7(4) . . . . ? O10 Ag5 O39 Ag7 -20.2(6) . . . . ? O11 Ag5 O39 Ag7 55.3(4) . . . . ? Ag8 O18 N1 O19 -3.2(8) . . . . ? Ag8 O18 N1 O17 176.9(6) . . . . ? Ag1 O17 N1 O18 121.7(8) . . . . ? Ag1 O17 N1 O19 -58.1(11) . . . . ? Ag2 O22 N2 O21 -178.8(6) . . . . ? Ag2 O22 N2 O20 0.9(6) . . . . ? Ag4 O20 N2 O21 -1.3(7) . . . . ? Ag2 O20 N2 O21 178.8(6) . . . . ? Ag4 O20 N2 O22 179.0(5) . . . . ? Ag2 O20 N2 O22 -0.9(7) . . . . ? Ag3 O23 N3 O24 -166.5(5) . . . . ? Ag1 O23 N3 O24 10.1(8) . . . . ? Ag3 O23 N3 O25 12.1(9) . . . . ? Ag1 O23 N3 O25 -171.3(6) . . . . ? Ag4 O27 N4 O28 0.9(8) 2_645 . . . ? Ag4 O27 N4 O26 -177.5(6) 2_645 . . . ? Ag3 O26 N4 O28 -179.6(6) . . . . ? Ag3 O26 N4 O27 -1.2(9) . . . . ? Ag5 O29 N5 O31 -38.9(10) . . . . ? Ag5 O29 N5 O30 142.4(6) . . . . ? Ag2 O30 N5 O31 3.2(9) . . . . ? Ag2 O30 N5 O29 -178.1(6) . . . . ? Ag6 O33 N6 O34 -180.0(6) . . . . ? Ag6 O33 N6 O32 -1.5(8) . . . . ? Ag8 O34 N6 O33 179.8(6) 1_455 . . . ? Ag8 O34 N6 O32 1.2(7) 1_455 . . . ? Ag6 O32 N6 O33 1.4(7) . . . . ? Ag6 O32 N6 O34 180.0(6) . . . . ? Ag6 O35 N7 O37 -9.3(10) . . . . ? Ag6 O35 N7 O36 169.9(6) . . . . ? Ag7 O36 N7 O37 1.3(9) 2_544 . . . ? Ag7 O36 N7 O35 -177.8(6) 2_544 . . . ? Ag7 O39 N8 O38 -160.8(6) . . . . ? Ag5 O39 N8 O38 14.6(8) . . . . ? Ag7 O39 N8 O40 19.9(8) . . . . ? Ag5 O39 N8 O40 -164.7(6) . . . . ? C16 O8 C1 C2 177.8(6) . . . . ? Ag1 O8 C1 C2 -45.9(7) . . . . ? C3 O1 C2 C1 -178.4(7) . . . . ? Ag1 O1 C2 C1 -44.8(7) . . . . ? O8 C1 C2 O1 61.6(8) . . . . ? C2 O1 C3 C4 177.2(6) . . . . ? Ag1 O1 C3 C4 48.5(8) . . . . ? C5 O2 C4 C3 -176.0(6) . . . . ? Ag2 O2 C4 C3 -40.1(7) . . . . ? O1 C3 C4 O2 65.6(8) . . . . ? C4 O2 C5 C6 176.7(6) . . . . ? Ag2 O2 C5 C6 40.3(8) . . . . ? C7 O3 C6 C5 179.5(7) . . . . ? O2 C5 C6 O3 -65.5(8) . . . . ? C6 O3 C7 C8 -177.3(7) . . . . ? C9 O4 C8 C7 179.3(6) . . . . ? Ag3 O4 C8 C7 40.0(8) . . . . ? O3 C7 C8 O4 -63.4(9) . . . . ? C8 O4 C9 C10 -179.9(7) . . . . ? Ag3 O4 C9 C10 -40.4(7) . . . . ? C11 O5 C10 C9 -179.7(7) . . . . ? O4 C9 C10 O5 65.4(8) . . . . ? C10 O5 C11 C12 173.8(7) . . . . ? C13 O6 C12 C11 -175.9(6) . . . . ? Ag4 O6 C12 C11 -38.0(8) . . . . ? O5 C11 C12 O6 64.4(8) . . . . ? C12 O6 C13 C14 180.0(6) . . . . ? Ag4 O6 C13 C14 41.2(7) . . . . ? C15 O7 C14 C13 -177.0(7) . . . . ? Ag4 O7 C14 C13 53.0(7) . . . . ? Ag1 O7 C14 C13 -52.9(8) . . . . ? O6 C13 C14 O7 -64.7(8) . . . . ? C14 O7 C15 C16 -179.8(7) . . . . ? Ag4 O7 C15 C16 -55.5(8) . . . . ? Ag1 O7 C15 C16 50.5(7) . . . . ? C1 O8 C16 C15 179.5(6) . . . . ? Ag1 O8 C16 C15 43.4(8) . . . . ? O7 C15 C16 O8 -64.5(8) . . . . ? C32 O16 C17 C18 -176.7(7) . . . . ? Ag8 O16 C17 C18 -41.1(7) 1_455 . . . ? C19 O9 C18 C17 -179.6(7) . . . . ? O16 C17 C18 O9 68.6(8) . . . . ? C18 O9 C19 C20 172.7(7) . . . . ? C21 O10 C20 C19 -180.0(7) . . . . ? Ag5 O10 C20 C19 -40.8(8) . . . . ? O9 C19 C20 O10 66.3(9) . . . . ? C20 O10 C21 C22 -179.1(6) . . . . ? Ag5 O10 C21 C22 42.5(8) . . . . ? C23 O11 C22 C21 176.0(7) . . . . ? Ag5 O11 C22 C21 51.4(7) . . . . ? O10 C21 C22 O11 -64.1(9) . . . . ? C22 O11 C23 C24 -170.8(7) . . . . ? Ag5 O11 C23 C24 -49.8(8) . . . . ? C25 O12 C24 C23 176.9(6) . . . . ? Ag6 O12 C24 C23 32.0(8) . . . . ? O11 C23 C24 O12 -64.7(9) . . . . ? C24 O12 C25 C26 179.6(7) . . . . ? Ag6 O12 C25 C26 -34.9(8) . . . . ? C27 O13 C26 C25 177.6(7) . . . . ? Ag7 O13 C26 C25 54.0(9) . . . . ? O12 C25 C26 O13 63.4(9) . . . . ? C26 O13 C27 C28 178.8(7) . . . . ? Ag7 O13 C27 C28 -52.0(8) . . . . ? C29 O14 C28 C27 -178.0(7) . . . . ? Ag7 O14 C28 C27 -45.6(8) . . . . ? O13 C27 C28 O14 66.8(9) . . . . ? C28 O14 C29 C30 -177.0(7) . . . . ? Ag7 O14 C29 C30 50.1(7) . . . . ? C31 O15 C30 C29 179.8(6) . . . . ? Ag8 O15 C30 C29 -57.2(8) 1_455 . . . ? O14 C29 C30 O15 -68.6(8) . . . . ? C30 O15 C31 C32 -172.9(6) . . . . ? Ag8 O15 C31 C32 54.4(7) 1_455 . . . ? C17 O16 C32 C31 173.0(6) . . . . ? Ag8 O16 C32 C31 37.4(8) 1_455 . . . ? O15 C31 C32 O16 -64.6(8) . . . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.884 _refine_diff_density_min -0.739 _refine_diff_density_rms 0.130 # Attachment '- 2.cif' data_01_2 _database_code_depnum_ccdc_archive 'CCDC 875799' #TrackingRef '- 2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic '(24-crown-8) tetrasilver nitrate dihydrate' _chemical_name_common '(24-crown-8) tetrasilver nitrate dihydrate' _chemical_formula_moiety 'C16 H36 Ag4 N4 O22 ' _chemical_formula_sum 'C16 H36 Ag4 N4 O22 ' _chemical_melting_point ? _exptl_crystal_description block _exptl_crystal_colour colorless _diffrn_ambient_temperature 273(2) _chemical_formula_weight 1067.97 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' 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 'C 2/c' _symmetry_int_tables_number 15 _chemical_absolute_configuration ? _symmetry_space_group_name_Hall '-C 2yc' 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' '-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 12.1262(13) _cell_length_b 17.6035(16) _cell_length_c 14.7902(12) _cell_angle_alpha 90.00 _cell_angle_beta 93.461(8) _cell_angle_gamma 90.00 _cell_volume 3151.4(5) _cell_formula_units_Z 4 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used 19013 _cell_measurement_theta_min 2.04 _cell_measurement_theta_max 26.12 _exptl_crystal_size_max 0.27 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.23 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.251 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2096 _exptl_absorpt_coefficient_mu 2.544 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; Distances between O12 and H12a,b have been fixed to 0.85 ; _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed tube' _diffrn_source_type 'STOE IPDS 2T' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'STOE IPDS 2T' _diffrn_measurement_method 'rotation method' _diffrn_detector_area_resol_mean 6.67 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 15315 _diffrn_reflns_av_R_equivalents 0.0848 _diffrn_reflns_av_sigmaI/netI 0.0414 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.04 _diffrn_reflns_theta_max 24.99 _reflns_number_total 2776 _reflns_number_gt 2138 _reflns_threshold_expression >2\s(I) _computing_data_collection X-Area _computing_cell_refinement X-Area _computing_data_reduction X-Red32 _computing_structure_solution 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics Diamond _computing_publication_material enCIFer _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^ > 2\s(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^)+(0.0411P)^2^+5.1042P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2776 _refine_ls_number_parameters 215 _refine_ls_number_restraints 2 _refine_ls_R_factor_all 0.0481 _refine_ls_R_factor_gt 0.0360 _refine_ls_wR_factor_ref 0.1010 _refine_ls_wR_factor_gt 0.0939 _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_restrained_S_all 1.071 _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 C1 C 0.9399(4) 0.4620(3) 0.8110(4) 0.0651(13) Uani 1 1 d . . . H1A H 0.8837 0.4913 0.7770 0.078 Uiso 1 1 calc R . . H1B H 0.9899 0.4971 0.8432 0.078 Uiso 1 1 calc R . . C2 C 0.8878(4) 0.4117(3) 0.8759(3) 0.0647(12) Uani 1 1 d . . . H2A H 0.9429 0.3781 0.9046 0.078 Uiso 1 1 calc R . . H2B H 0.8561 0.4418 0.9227 0.078 Uiso 1 1 calc R . . C3 C 0.7507(4) 0.3145(3) 0.8847(4) 0.0666(13) Uani 1 1 d . . . H3A H 0.7140 0.3411 0.9318 0.080 Uiso 1 1 calc R . . H3B H 0.8055 0.2808 0.9134 0.080 Uiso 1 1 calc R . . C4 C 0.6683(4) 0.2695(3) 0.8282(4) 0.0689(14) Uani 1 1 d . . . H4A H 0.6277 0.2362 0.8665 0.083 Uiso 1 1 calc R . . H4B H 0.6160 0.3034 0.7965 0.083 Uiso 1 1 calc R . . C5 C 0.6505(4) 0.1809(3) 0.7078(4) 0.0675(13) Uani 1 1 d . . . H5A H 0.5961 0.2136 0.6767 0.081 Uiso 1 1 calc R . . H5B H 0.6120 0.1451 0.7445 0.081 Uiso 1 1 calc R . . C6 C 0.7144(4) 0.1391(3) 0.6405(3) 0.0636(12) Uani 1 1 d . . . H6A H 0.6644 0.1126 0.5977 0.076 Uiso 1 1 calc R . . H6B H 0.7581 0.1744 0.6073 0.076 Uiso 1 1 calc R . . C7 C 0.8578(4) 0.0454(3) 0.6332(3) 0.0633(12) Uani 1 1 d . . . H7A H 0.9037 0.0810 0.6024 0.076 Uiso 1 1 calc R . . H7B H 0.8149 0.0163 0.5878 0.076 Uiso 1 1 calc R . . C8 C 0.9278(4) -0.0062(3) 0.6914(4) 0.0644(12) Uani 1 1 d . . . H8A H 0.8817 -0.0381 0.7271 0.077 Uiso 1 1 calc R . . H8B H 0.9708 -0.0389 0.6541 0.077 Uiso 1 1 calc R . . N1 N 1.0310(4) 0.2300(3) 0.9386(3) 0.0666(11) Uani 1 1 d . . . N2 N 0.7257(5) 0.0216(3) 0.9114(3) 0.0797(13) Uani 1 1 d . . . O1 O 1.0000 0.0389(3) 0.7500 0.0591(11) Uani 1 2 d S . . O2 O 0.7857(3) 0.08538(19) 0.6896(2) 0.0607(8) Uani 1 1 d . . . O3 O 0.7254(3) 0.22550(19) 0.7642(2) 0.0640(8) Uani 1 1 d . . . O4 O 0.8033(3) 0.36791(19) 0.8288(2) 0.0633(8) Uani 1 1 d . . . O5 O 1.0000 0.4157(3) 0.7500 0.0620(11) Uani 1 2 d S . . O6 O 1.0165(3) 0.2327(2) 0.8539(3) 0.0712(9) Uani 1 1 d . . . O7 O 0.9746(4) 0.1853(3) 0.9817(3) 0.0872(12) Uani 1 1 d . . . O8 O 1.1030(3) 0.2703(2) 0.9773(3) 0.0888(12) Uani 1 1 d . . . O9 O 0.8267(4) 0.0119(3) 0.9028(3) 0.0966(13) Uani 1 1 d . . . O10 O 0.6854(5) 0.0856(3) 0.9003(3) 0.1076(15) Uani 1 1 d . . . O11 O 0.6679(4) -0.0337(3) 0.9316(3) 0.0919(12) Uani 1 1 d . . . O12 O 0.6498(5) 0.3566(3) 0.6276(3) 0.1039(14) Uani 1 1 d D . . Ag1 Ag 0.87388(4) 0.13458(2) 0.83148(3) 0.07204(17) Uani 1 1 d . . . Ag2 Ag 0.83939(4) 0.33007(3) 0.67424(3) 0.08247(19) Uani 1 1 d . . . H12A H 0.634(7) 0.334(4) 0.577(3) 0.124 Uiso 1 1 d D . . H12B H 0.661(7) 0.402(2) 0.607(5) 0.124 Uiso 1 1 d D . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.062(3) 0.055(3) 0.079(3) -0.011(2) 0.006(2) 0.005(2) C2 0.066(3) 0.062(3) 0.067(3) -0.010(2) 0.010(2) 0.001(2) C3 0.066(3) 0.066(3) 0.069(3) 0.003(2) 0.018(2) 0.005(3) C4 0.062(3) 0.062(3) 0.084(4) 0.000(3) 0.019(3) 0.002(2) C5 0.057(3) 0.064(3) 0.081(3) 0.004(3) -0.002(2) -0.002(2) C6 0.059(3) 0.061(3) 0.070(3) 0.004(2) -0.008(2) -0.002(2) C7 0.060(3) 0.064(3) 0.066(3) -0.007(2) 0.005(2) -0.005(2) C8 0.060(3) 0.056(3) 0.077(3) -0.009(2) 0.000(2) -0.002(2) N1 0.060(2) 0.064(3) 0.076(3) -0.005(2) 0.004(2) 0.003(2) N2 0.091(4) 0.091(4) 0.057(3) 0.008(2) 0.005(2) 0.002(3) O1 0.052(2) 0.051(2) 0.073(3) 0.000 -0.006(2) 0.000 O2 0.0590(19) 0.0603(19) 0.0619(19) 0.0032(15) -0.0031(15) 0.0046(15) O3 0.0533(18) 0.061(2) 0.078(2) -0.0042(16) 0.0054(16) -0.0005(15) O4 0.063(2) 0.062(2) 0.065(2) -0.0022(15) 0.0088(16) -0.0029(16) O5 0.061(3) 0.052(3) 0.074(3) 0.000 0.015(2) 0.000 O6 0.075(2) 0.070(2) 0.068(2) -0.0018(17) 0.0014(18) -0.0072(18) O7 0.087(3) 0.090(3) 0.086(3) 0.011(2) 0.019(2) -0.005(2) O8 0.083(3) 0.093(3) 0.089(3) -0.022(2) -0.009(2) -0.017(2) O9 0.080(3) 0.104(3) 0.106(3) 0.021(3) 0.007(2) -0.005(3) O10 0.139(4) 0.084(3) 0.101(3) 0.010(3) 0.022(3) 0.018(3) O11 0.092(3) 0.089(3) 0.094(3) 0.010(2) 0.002(2) -0.016(3) O12 0.134(4) 0.086(3) 0.090(3) -0.003(3) -0.006(3) -0.012(3) Ag1 0.0691(3) 0.0677(3) 0.0780(3) -0.00851(19) -0.0067(2) 0.00096(19) Ag2 0.0882(3) 0.0784(3) 0.0831(3) -0.0151(2) 0.0242(2) -0.0119(2) _geom_special_details ; All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s 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 C1 O5 1.446(5) . ? C1 C2 1.476(7) . ? C1 H1A 0.9700 . ? C1 H1B 0.9700 . ? C2 O4 1.429(6) . ? C2 H2A 0.9700 . ? C2 H2B 0.9700 . ? C3 O4 1.428(6) . ? C3 C4 1.491(8) . ? C3 H3A 0.9700 . ? C3 H3B 0.9700 . ? C4 O3 1.434(6) . ? C4 H4A 0.9700 . ? C4 H4B 0.9700 . ? C5 O3 1.430(6) . ? C5 C6 1.491(7) . ? C5 H5A 0.9700 . ? C5 H5B 0.9700 . ? C6 O2 1.447(6) . ? C6 H6A 0.9700 . ? C6 H6B 0.9700 . ? C7 O2 1.430(6) . ? C7 C8 1.483(7) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 O1 1.435(5) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? N1 O8 1.238(5) . ? N1 O7 1.244(6) . ? N1 O6 1.255(6) . ? N2 O10 1.235(7) . ? N2 O11 1.245(7) . ? N2 O9 1.251(6) . ? O1 C8 1.435(5) 2_756 ? O2 Ag1 2.455(3) . ? O3 Ag1 2.565(3) . ? O4 Ag2 2.446(3) . ? O5 C1 1.446(5) 2_756 ? O6 Ag1 2.453(4) . ? O6 Ag2 2.501(4) 2_756 ? O9 Ag1 2.485(5) . ? O12 Ag2 2.406(6) . ? O12 H12A 0.86(2) . ? O12 H12B 0.87(2) . ? Ag2 O6 2.501(4) 2_756 ? 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 O5 C1 C2 108.6(4) . . ? O5 C1 H1A 110.0 . . ? C2 C1 H1A 110.0 . . ? O5 C1 H1B 110.0 . . ? C2 C1 H1B 110.0 . . ? H1A C1 H1B 108.4 . . ? O4 C2 C1 109.2(4) . . ? O4 C2 H2A 109.8 . . ? C1 C2 H2A 109.8 . . ? O4 C2 H2B 109.8 . . ? C1 C2 H2B 109.8 . . ? H2A C2 H2B 108.3 . . ? O4 C3 C4 109.5(4) . . ? O4 C3 H3A 109.8 . . ? C4 C3 H3A 109.8 . . ? O4 C3 H3B 109.8 . . ? C4 C3 H3B 109.8 . . ? H3A C3 H3B 108.2 . . ? O3 C4 C3 108.8(4) . . ? O3 C4 H4A 109.9 . . ? C3 C4 H4A 109.9 . . ? O3 C4 H4B 109.9 . . ? C3 C4 H4B 109.9 . . ? H4A C4 H4B 108.3 . . ? O3 C5 C6 108.8(4) . . ? O3 C5 H5A 109.9 . . ? C6 C5 H5A 109.9 . . ? O3 C5 H5B 109.9 . . ? C6 C5 H5B 109.9 . . ? H5A C5 H5B 108.3 . . ? O2 C6 C5 107.8(4) . . ? O2 C6 H6A 110.1 . . ? C5 C6 H6A 110.1 . . ? O2 C6 H6B 110.1 . . ? C5 C6 H6B 110.1 . . ? H6A C6 H6B 108.5 . . ? O2 C7 C8 108.1(4) . . ? O2 C7 H7A 110.1 . . ? C8 C7 H7A 110.1 . . ? O2 C7 H7B 110.1 . . ? C8 C7 H7B 110.1 . . ? H7A C7 H7B 108.4 . . ? O1 C8 C7 108.6(4) . . ? O1 C8 H8A 110.0 . . ? C7 C8 H8A 110.0 . . ? O1 C8 H8B 110.0 . . ? C7 C8 H8B 110.0 . . ? H8A C8 H8B 108.4 . . ? O8 N1 O7 121.4(5) . . ? O8 N1 O6 119.4(5) . . ? O7 N1 O6 119.2(5) . . ? O10 N2 O11 121.4(6) . . ? O10 N2 O9 119.5(6) . . ? O11 N2 O9 119.1(6) . . ? C8 O1 C8 112.7(5) . 2_756 ? C7 O2 C6 113.4(4) . . ? C7 O2 Ag1 115.0(3) . . ? C6 O2 Ag1 114.5(3) . . ? C5 O3 C4 111.5(4) . . ? C5 O3 Ag1 106.8(3) . . ? C4 O3 Ag1 115.9(3) . . ? C3 O4 C2 113.9(4) . . ? C3 O4 Ag2 118.3(3) . . ? C2 O4 Ag2 116.1(3) . . ? C1 O5 C1 111.3(5) 2_756 . ? N1 O6 Ag1 99.4(3) . . ? N1 O6 Ag2 97.8(3) . 2_756 ? Ag1 O6 Ag2 162.60(18) . 2_756 ? N2 O9 Ag1 100.2(4) . . ? Ag2 O12 H12A 109(6) . . ? Ag2 O12 H12B 97(6) . . ? H12A O12 H12B 99(7) . . ? O6 Ag1 O2 129.15(12) . . ? O6 Ag1 O9 137.15(15) . . ? O2 Ag1 O9 87.53(14) . . ? O6 Ag1 O3 94.90(12) . . ? O2 Ag1 O3 68.22(11) . . ? O9 Ag1 O3 122.19(13) . . ? O12 Ag2 O4 89.62(15) . . ? O12 Ag2 O6 138.66(15) . 2_756 ? O4 Ag2 O6 120.58(12) . 2_756 ? 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 O5 C1 C2 O4 -67.7(5) . . . . ? O4 C3 C4 O3 64.4(5) . . . . ? O3 C5 C6 O2 65.6(5) . . . . ? O2 C7 C8 O1 -66.9(5) . . . . ? C7 C8 O1 C8 -179.4(5) . . . 2_756 ? C8 C7 O2 C6 178.7(4) . . . . ? C8 C7 O2 Ag1 44.3(4) . . . . ? C5 C6 O2 C7 -175.6(4) . . . . ? C5 C6 O2 Ag1 -40.9(5) . . . . ? C6 C5 O3 C4 177.7(4) . . . . ? C6 C5 O3 Ag1 -54.8(4) . . . . ? C3 C4 O3 C5 180.0(4) . . . . ? C3 C4 O3 Ag1 57.5(5) . . . . ? C4 C3 O4 C2 -177.2(4) . . . . ? C4 C3 O4 Ag2 -35.7(5) . . . . ? C1 C2 O4 C3 177.3(4) . . . . ? C1 C2 O4 Ag2 34.9(5) . . . . ? C2 C1 O5 C1 -175.5(5) . . . 2_756 ? O8 N1 O6 Ag1 176.7(4) . . . . ? O7 N1 O6 Ag1 -1.4(5) . . . . ? O8 N1 O6 Ag2 -0.5(5) . . . 2_756 ? O7 N1 O6 Ag2 -178.6(4) . . . 2_756 ? O10 N2 O9 Ag1 -12.3(6) . . . . ? O11 N2 O9 Ag1 168.2(4) . . . . ? N1 O6 Ag1 O2 -177.0(2) . . . . ? Ag2 O6 Ag1 O2 -6.2(6) 2_756 . . . ? N1 O6 Ag1 O9 -34.2(4) . . . . ? Ag2 O6 Ag1 O9 136.6(5) 2_756 . . . ? N1 O6 Ag1 O3 117.3(3) . . . . ? Ag2 O6 Ag1 O3 -71.9(6) 2_756 . . . ? C7 O2 Ag1 O6 65.5(3) . . . . ? C6 O2 Ag1 O6 -68.5(3) . . . . ? C7 O2 Ag1 O9 -90.1(3) . . . . ? C6 O2 Ag1 O9 135.9(3) . . . . ? C7 O2 Ag1 O3 143.6(3) . . . . ? C6 O2 Ag1 O3 9.6(3) . . . . ? N2 O9 Ag1 O6 131.9(3) . . . . ? N2 O9 Ag1 O2 -76.1(4) . . . . ? N2 O9 Ag1 O3 -13.9(4) . . . . ? C5 O3 Ag1 O6 154.2(3) . . . . ? C4 O3 Ag1 O6 -80.8(3) . . . . ? C5 O3 Ag1 O2 23.8(3) . . . . ? C4 O3 Ag1 O2 148.8(3) . . . . ? C5 O3 Ag1 O9 -48.3(3) . . . . ? C4 O3 Ag1 O9 76.6(3) . . . . ? C3 O4 Ag2 O12 79.8(3) . . . . ? C2 O4 Ag2 O12 -139.5(3) . . . . ? C3 O4 Ag2 O6 -70.4(4) . . . 2_756 ? C2 O4 Ag2 O6 70.3(3) . . . 2_756 ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.752 _refine_diff_density_min -1.246 _refine_diff_density_rms 0.083