data_global _journal_name_full CrystEngComm _journal_coden_Cambridge 1350 _publ_contact_author_name 'Tianle Zhang' _publ_contact_author_email TLZHANG@MAIL.HUST.EDU.CN _publ_section_title ; Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(I) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units ; loop_ _publ_author_name 'Tianle Zhang' 'Xiaomei Dai' 'Yuejie Hu' 'Jianxi Kong' 'Xianggao Meng' ; Hongbin Song ; # Attachment 'si-1-2-3.cif' data_Compound-1 _database_code_depnum_ccdc_archive 'CCDC 707142' #TrackingRef 'si-1-2-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common CF3CO2Ag-4-pyridylethynide _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C33 H16 Ag9 F18 N3 O14' _chemical_formula_weight 1991.32 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pnna loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z' '-x+1/2, y+1/2, -z+1/2' 'x, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z' 'x-1/2, -y-1/2, z-1/2' '-x, y-1/2, z-1/2' _cell_length_a 19.1014(13) _cell_length_b 22.2971(15) _cell_length_c 11.1094(8) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4731.6(6) _cell_formula_units_Z 4 _cell_measurement_temperature 297(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour brown _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.795 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3728 _exptl_absorpt_coefficient_mu 3.776 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.3912 _exptl_absorpt_correction_T_max 0.5031 _exptl_absorpt_process_details SADABS,Sheldrick,1997 _exptl_special_details ; ? ; _diffrn_ambient_temperature 297(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 'Bruker Smart Apex II CCD' _diffrn_measurement_method '\f and \w' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 43429 _diffrn_reflns_av_R_equivalents 0.0431 _diffrn_reflns_av_sigmaI/netI 0.0284 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -29 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 1.83 _diffrn_reflns_theta_max 28.24 _reflns_number_total 5732 _reflns_number_gt 4493 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0865P)^2^+40.8320P] 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 5732 _refine_ls_number_parameters 344 _refine_ls_number_restraints 90 _refine_ls_R_factor_all 0.0897 _refine_ls_R_factor_gt 0.0718 _refine_ls_wR_factor_ref 0.1892 _refine_ls_wR_factor_gt 0.1776 _refine_ls_goodness_of_fit_ref 1.071 _refine_ls_restrained_S_all 1.092 _refine_ls_shift/su_max 0.023 _refine_ls_shift/su_mean 0.001 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 0.94736(5) 0.43214(4) 0.97340(9) 0.0641(3) Uani 1 1 d . . . Ag2 Ag 0.99514(5) 0.34434(4) 0.79061(9) 0.0685(3) Uani 1 1 d . . . Ag3 Ag 1.03372(3) 0.33028(3) 1.05739(7) 0.0467(2) Uani 1 1 d . . . Ag4 Ag 0.96852(5) 0.23476(4) 0.90995(10) 0.0738(3) Uani 1 1 d . . . Ag5 Ag 0.94340(7) 0.2500 1.2500 0.1101(7) Uani 1 2 d S . . C1 C 0.6854(5) 0.2809(4) 0.9448(10) 0.056(2) Uani 1 1 d . . . H1 H 0.6626 0.2443 0.9371 0.067 Uiso 1 1 calc R . . C2 C 0.7572(4) 0.2805(4) 0.9566(9) 0.050(2) Uani 1 1 d . . . H2 H 0.7815 0.2444 0.9583 0.061 Uiso 1 1 calc R . . C3 C 0.7926(4) 0.3343(4) 0.9660(8) 0.0393(18) Uani 1 1 d . . . C4 C 0.7540(5) 0.3864(4) 0.9645(10) 0.055(2) Uani 1 1 d . . . H4 H 0.7759 0.4235 0.9707 0.065 Uiso 1 1 calc R . . C5 C 0.6814(5) 0.3823(5) 0.9534(11) 0.059(3) Uani 1 1 d . . . H5 H 0.6554 0.4175 0.9527 0.070 Uiso 1 1 calc R . . C6 C 0.8668(4) 0.3351(4) 0.9846(8) 0.0420(18) Uani 1 1 d . . . C7 C 0.9291(4) 0.3311(4) 1.0038(9) 0.0430(19) Uani 1 1 d . . . C8 C 1.2906(4) 0.3005(4) 0.7290(9) 0.049(2) Uani 1 1 d . . . H8 H 1.3151 0.3357 0.7140 0.058 Uiso 1 1 calc R . . C9 C 1.2190(5) 0.3024(4) 0.7288(9) 0.048(2) Uani 1 1 d . . . H9 H 1.1959 0.3384 0.7146 0.057 Uiso 1 1 calc R . . C10 C 1.1809(6) 0.2500 0.7500 0.040(2) Uani 1 2 d S . . C11 C 1.1056(6) 0.2500 0.7500 0.040(2) Uani 1 2 d S . . C12 C 1.0426(7) 0.2500 0.7500 0.048(3) Uani 1 2 d S . . C13 C 0.8616(5) 0.1326(4) 0.8788(10) 0.053(2) Uani 1 1 d . A . C14 C 0.7913(6) 0.1026(4) 0.9024(9) 0.075(3) Uani 1 1 d D . . C15 C 1.0832(5) 0.4628(5) 0.8180(10) 0.055(2) Uani 1 1 d . C . C16 C 1.1347(6) 0.5058(6) 0.7593(11) 0.091(5) Uani 1 1 d D . . C17 C 1.0371(6) 0.3586(7) 1.3469(12) 0.073(4) Uani 1 1 d . B . C18 C 1.0622(5) 0.3956(4) 1.4510(11) 0.069(3) Uani 1 1 d D . . F1 F 0.7392(7) 0.1408(6) 0.8629(12) 0.092(5) Uiso 0.63(2) 1 d PD A 1 F2 F 0.7790(7) 0.0545(5) 0.8404(12) 0.090(5) Uiso 0.63(2) 1 d PD A 1 F3 F 0.7786(9) 0.0940(7) 1.0173(10) 0.100(5) Uiso 0.63(2) 1 d PD A 1 F4 F 1.1119(9) 0.4344(8) 1.4252(13) 0.076(6) Uiso 0.52(4) 1 d PD B 1 F5 F 1.0896(14) 0.3595(8) 1.5372(18) 0.115(7) Uiso 0.52(4) 1 d PD B 1 F6 F 1.0091(8) 0.4259(10) 1.500(2) 0.102(6) Uiso 0.52(4) 1 d PD B 1 F7 F 1.1838(7) 0.4750(6) 0.7002(14) 0.082(5) Uiso 0.53(2) 1 d PD C 1 F8 F 1.1632(9) 0.5484(7) 0.8220(14) 0.098(6) Uiso 0.53(2) 1 d PD C 1 F9 F 1.0979(10) 0.5351(9) 0.6690(16) 0.129(8) Uiso 0.53(2) 1 d PD C 1 F1' F 0.7432(14) 0.1045(13) 0.8176(19) 0.136(12) Uiso 0.37(2) 1 d PD A 2 F2' F 0.8047(12) 0.0425(6) 0.914(2) 0.087(8) Uiso 0.37(2) 1 d PD A 2 F3' F 0.7603(12) 0.1171(10) 1.0051(15) 0.089(7) Uiso 0.37(2) 1 d PD A 2 F5' F 1.0837(13) 0.4512(7) 1.4232(17) 0.099(7) Uiso 0.48(4) 1 d PD B 2 F6' F 1.1130(10) 0.3694(8) 1.5146(17) 0.084(6) Uiso 0.48(4) 1 d PD B 2 F4' F 1.0102(6) 0.4057(8) 1.5331(14) 0.064(5) Uiso 0.48(4) 1 d PD B 2 F7' F 1.1862(11) 0.5088(11) 0.8480(16) 0.135(10) Uiso 0.47(2) 1 d PD C 2 F8' F 1.1129(12) 0.5623(8) 0.753(2) 0.126(9) Uiso 0.47(2) 1 d PD C 2 F9' F 1.1682(9) 0.4922(8) 0.6594(13) 0.081(5) Uiso 0.47(2) 1 d PD C 2 N1 N 0.6474(4) 0.3295(4) 0.9437(8) 0.0500(18) Uani 1 1 d . . . N2 N 1.3272(5) 0.2500 0.7500 0.050(3) Uani 1 2 d S . . O1 O 0.8746(4) 0.1764(3) 0.9420(8) 0.067(2) Uani 1 1 d . . . O2 O 0.8954(4) 0.1120(3) 0.7941(7) 0.069(2) Uani 1 1 d . . . O3 O 1.0486(4) 0.4822(3) 0.9002(8) 0.073(2) Uani 1 1 d . . . O4 O 1.0834(5) 0.4133(4) 0.7732(9) 0.086(3) Uani 1 1 d . . . O5 O 1.0429(6) 0.3858(5) 1.2468(8) 0.092(3) Uani 1 1 d . . . O6 O 1.0150(5) 0.3087(4) 1.3713(11) 0.093(3) Uani 1 1 d . . . O1W O 0.8891(5) 0.4974(4) 0.8325(8) 0.086(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0639(5) 0.0422(4) 0.0863(6) -0.0156(4) 0.0125(4) -0.0006(3) Ag2 0.0722(6) 0.0542(5) 0.0791(6) -0.0187(4) -0.0037(4) 0.0103(4) Ag3 0.0194(3) 0.0622(4) 0.0585(4) -0.0145(3) -0.0038(2) -0.0006(3) Ag4 0.0595(5) 0.0636(5) 0.0982(7) -0.0305(5) 0.0284(5) -0.0175(4) Ag5 0.0318(6) 0.1371(14) 0.1615(17) -0.0859(13) 0.000 0.000 C1 0.031(4) 0.046(5) 0.091(7) -0.002(5) -0.004(4) -0.003(4) C2 0.025(4) 0.051(5) 0.076(6) -0.008(4) 0.002(4) 0.001(3) C3 0.020(3) 0.052(5) 0.046(4) -0.005(4) 0.001(3) 0.004(3) C4 0.029(4) 0.050(5) 0.084(7) 0.001(5) 0.002(4) -0.002(4) C5 0.026(4) 0.060(6) 0.090(7) 0.008(5) 0.005(4) 0.011(4) C6 0.034(4) 0.042(4) 0.049(5) -0.006(4) 0.005(4) -0.002(3) C7 0.017(3) 0.050(5) 0.062(5) -0.022(4) 0.003(3) -0.003(3) C8 0.031(4) 0.051(5) 0.064(6) 0.005(4) -0.002(4) -0.013(4) C9 0.037(4) 0.044(5) 0.062(6) 0.000(4) -0.005(4) 0.002(4) C10 0.028(5) 0.051(7) 0.041(6) -0.004(5) 0.000 0.000 C11 0.032(6) 0.044(6) 0.042(6) -0.012(5) 0.000 0.000 C12 0.042(7) 0.053(7) 0.047(7) -0.019(6) 0.000 0.000 C13 0.051(5) 0.039(5) 0.069(6) 0.001(4) 0.002(5) 0.000(4) C14 0.078(8) 0.059(7) 0.087(8) -0.021(6) 0.021(7) -0.016(6) C15 0.047(5) 0.055(6) 0.064(6) -0.018(5) -0.001(5) -0.002(4) C16 0.057(7) 0.121(11) 0.096(9) -0.056(9) 0.019(7) -0.023(7) C17 0.044(6) 0.095(9) 0.079(8) -0.033(7) -0.011(5) 0.007(6) C18 0.072(7) 0.047(6) 0.087(8) -0.005(5) 0.015(6) 0.000(5) N1 0.028(3) 0.055(5) 0.067(5) 0.006(4) 0.004(3) 0.000(3) N2 0.030(5) 0.061(7) 0.058(6) 0.011(5) 0.000 0.000 O1 0.050(4) 0.053(4) 0.097(6) -0.026(4) 0.016(4) -0.009(3) O2 0.071(5) 0.063(4) 0.073(5) -0.020(4) 0.016(4) -0.022(4) O3 0.086(5) 0.055(4) 0.079(5) -0.030(4) 0.030(4) -0.015(4) O4 0.069(5) 0.076(5) 0.114(7) -0.046(5) 0.015(5) -0.009(4) O5 0.111(8) 0.117(8) 0.049(5) -0.008(5) -0.010(5) 0.005(6) O6 0.071(5) 0.067(5) 0.140(9) -0.031(6) 0.002(6) -0.018(5) O1W 0.109(7) 0.067(5) 0.081(5) -0.021(4) -0.016(5) 0.015(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C7 2.305(9) . ? Ag1 O3 2.372(7) 5_767 ? Ag1 O3 2.375(8) . ? Ag1 O1W 2.410(9) . ? Ag1 C6 2.658(8) . ? Ag1 Ag3 2.9581(11) . ? Ag1 Ag2 2.9647(11) . ? Ag2 O4 2.290(9) . ? Ag2 C12 2.334(5) . ? Ag2 O2 2.337(7) 4_556 ? Ag2 C7 2.700(9) . ? Ag2 Ag4 2.8258(14) . ? Ag2 Ag4 2.8869(12) 4_556 ? Ag2 Ag3 3.0700(12) . ? Ag3 C7 2.086(8) . ? Ag3 N1 2.172(7) 6_657 ? Ag3 O5 2.447(9) . ? Ag3 Ag4 2.9614(11) . ? Ag3 Ag5 3.2801(10) . ? Ag4 O1 2.245(7) . ? Ag4 C12 2.297(8) . ? Ag4 C7 2.504(8) . ? Ag4 Ag2 2.8868(12) 4_556 ? Ag5 N2 2.220(10) 6_557 ? Ag5 O6 2.324(9) . ? Ag5 O6 2.324(9) 4_557 ? Ag5 Ag3 3.2801(10) 4_557 ? C1 N1 1.303(12) . ? C1 C2 1.377(12) . ? C1 H1 0.9300 . ? C2 C3 1.382(12) . ? C2 H2 0.9300 . ? C3 C4 1.375(13) . ? C3 C6 1.432(11) . ? C4 C5 1.395(12) . ? C4 H4 0.9300 . ? C5 N1 1.349(13) . ? C5 H5 0.9300 . ? C6 C7 1.211(12) . ? C8 N2 1.345(11) . ? C8 C9 1.367(12) . ? C8 H8 0.9300 . ? C9 C10 1.397(11) . ? C9 H9 0.9300 . ? C10 C9 1.397(11) 4_556 ? C10 C11 1.438(15) . ? C11 C12 1.204(17) . ? C12 Ag4 2.297(8) 4_556 ? C12 Ag2 2.335(5) 4_556 ? C13 O1 1.227(12) . ? C13 O2 1.231(12) . ? C13 C14 1.524(15) . ? C14 F2 1.297(12) . ? C14 F3 1.313(12) . ? C14 F1' 1.317(14) . ? C14 F3' 1.325(14) . ? C14 F2' 1.370(13) . ? C14 F1 1.381(12) . ? C15 O3 1.208(12) . ? C15 O4 1.210(12) . ? C15 C16 1.521(17) . ? C16 F8 1.297(13) . ? C16 F9' 1.316(13) . ? C16 F8' 1.328(14) . ? C16 F7 1.334(12) . ? C16 F9 1.388(14) . ? C16 F7' 1.394(14) . ? C17 O6 1.220(17) . ? C17 O5 1.272(17) . ? C17 C18 1.499(17) . ? C18 F4 1.317(12) . ? C18 F6 1.334(13) . ? C18 F6' 1.336(13) . ? C18 F5' 1.343(13) . ? C18 F5 1.356(13) . ? C18 F4' 1.368(12) . ? N1 Ag3 2.172(7) 6_557 ? N2 C8 1.345(11) 4_556 ? N2 Ag5 2.220(10) 6_657 ? O2 Ag2 2.337(7) 4_556 ? O3 Ag1 2.373(7) 5_767 ? 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 C7 Ag1 O3 134.9(3) . 5_767 ? C7 Ag1 O3 129.2(3) . . ? O3 Ag1 O3 78.3(3) 5_767 . ? C7 Ag1 O1W 128.0(3) . . ? O3 Ag1 O1W 85.0(3) 5_767 . ? O3 Ag1 O1W 82.6(3) . . ? C7 Ag1 C6 27.1(3) . . ? O3 Ag1 C6 130.3(3) 5_767 . ? O3 Ag1 C6 150.4(2) . . ? O1W Ag1 C6 104.8(3) . . ? C7 Ag1 Ag3 44.59(19) . . ? O3 Ag1 Ag3 114.4(2) 5_767 . ? O3 Ag1 Ag3 90.8(2) . . ? O1W Ag1 Ag3 157.8(2) . . ? C6 Ag1 Ag3 71.52(19) . . ? C7 Ag1 Ag2 60.1(2) . . ? O3 Ag1 Ag2 157.99(19) 5_767 . ? O3 Ag1 Ag2 79.92(17) . . ? O1W Ag1 Ag2 95.5(2) . . ? C6 Ag1 Ag2 70.90(18) . . ? Ag3 Ag1 Ag2 62.44(3) . . ? O4 Ag2 C12 107.6(3) . . ? O4 Ag2 O2 106.6(3) . 4_556 ? C12 Ag2 O2 127.9(3) . 4_556 ? O4 Ag2 C7 119.5(3) . . ? C12 Ag2 C7 104.6(2) . . ? O2 Ag2 C7 91.0(3) 4_556 . ? O4 Ag2 Ag4 138.8(3) . . ? C12 Ag2 Ag4 51.79(17) . . ? O2 Ag2 Ag4 113.7(2) 4_556 . ? C7 Ag2 Ag4 53.83(18) . . ? O4 Ag2 Ag4 118.3(2) . 4_556 ? C12 Ag2 Ag4 50.86(17) . 4_556 ? O2 Ag2 Ag4 78.48(18) 4_556 4_556 ? C7 Ag2 Ag4 121.86(17) . 4_556 ? Ag4 Ag2 Ag4 78.59(4) . 4_556 ? O4 Ag2 Ag1 80.9(2) . . ? C12 Ag2 Ag1 147.88(5) . . ? O2 Ag2 Ag1 75.50(18) 4_556 . ? C7 Ag2 Ag1 47.73(18) . . ? Ag4 Ag2 Ag1 101.20(4) . . ? Ag4 Ag2 Ag1 151.39(4) 4_556 . ? O4 Ag2 Ag3 88.5(3) . . ? C12 Ag2 Ag3 90.08(8) . . ? O2 Ag2 Ag3 128.8(2) 4_556 . ? C7 Ag2 Ag3 41.78(17) . . ? Ag4 Ag2 Ag3 60.13(3) . . ? Ag4 Ag2 Ag3 136.47(4) 4_556 . ? Ag1 Ag2 Ag3 58.67(3) . . ? C7 Ag3 N1 163.1(3) . 6_657 ? C7 Ag3 O5 108.0(3) . . ? N1 Ag3 O5 86.4(3) 6_657 . ? C7 Ag3 Ag1 50.9(2) . . ? N1 Ag3 Ag1 124.2(2) 6_657 . ? O5 Ag3 Ag1 85.6(2) . . ? C7 Ag3 Ag4 56.3(2) . . ? N1 Ag3 Ag4 114.3(2) 6_657 . ? O5 Ag3 Ag4 150.4(3) . . ? Ag1 Ag3 Ag4 98.23(3) . . ? C7 Ag3 Ag2 59.6(3) . . ? N1 Ag3 Ag2 103.6(2) 6_657 . ? O5 Ag3 Ag2 142.7(3) . . ? Ag1 Ag3 Ag2 58.88(3) . . ? Ag4 Ag3 Ag2 55.84(3) . . ? C7 Ag3 Ag5 71.8(3) . . ? N1 Ag3 Ag5 121.7(2) 6_657 . ? O5 Ag3 Ag5 75.7(3) . . ? Ag1 Ag3 Ag5 109.36(3) . . ? Ag4 Ag3 Ag5 75.36(3) . . ? Ag2 Ag3 Ag5 124.00(3) . . ? O1 Ag4 C12 134.5(3) . . ? O1 Ag4 C7 101.0(2) . . ? C12 Ag4 C7 112.4(2) . . ? O1 Ag4 Ag2 136.0(2) . . ? C12 Ag4 Ag2 53.01(8) . . ? C7 Ag4 Ag2 60.5(2) . . ? O1 Ag4 Ag2 84.76(18) . 4_556 ? C12 Ag4 Ag2 52.03(9) . 4_556 ? C7 Ag4 Ag2 154.0(2) . 4_556 ? Ag2 Ag4 Ag2 97.73(4) . 4_556 ? O1 Ag4 Ag3 131.71(19) . . ? C12 Ag4 Ag3 93.58(15) . . ? C7 Ag4 Ag3 43.89(18) . . ? Ag2 Ag4 Ag3 64.03(3) . . ? Ag2 Ag4 Ag3 142.40(4) 4_556 . ? N2 Ag5 O6 126.1(2) 6_557 . ? N2 Ag5 O6 126.1(2) 6_557 4_557 ? O6 Ag5 O6 107.9(5) . 4_557 ? N2 Ag5 Ag3 121.73(2) 6_557 4_557 ? O6 Ag5 Ag3 67.6(3) . 4_557 ? O6 Ag5 Ag3 76.2(3) 4_557 4_557 ? N2 Ag5 Ag3 121.73(2) 6_557 . ? O6 Ag5 Ag3 76.2(3) . . ? O6 Ag5 Ag3 67.6(3) 4_557 . ? Ag3 Ag5 Ag3 116.53(4) 4_557 . ? N1 C1 C2 124.1(9) . . ? N1 C1 H1 118.0 . . ? C2 C1 H1 118.0 . . ? C1 C2 C3 119.3(9) . . ? C1 C2 H2 120.4 . . ? C3 C2 H2 120.4 . . ? C4 C3 C2 118.0(7) . . ? C4 C3 C6 121.5(8) . . ? C2 C3 C6 120.4(8) . . ? C3 C4 C5 118.6(9) . . ? C3 C4 H4 120.7 . . ? C5 C4 H4 120.7 . . ? N1 C5 C4 122.9(9) . . ? N1 C5 H5 118.5 . . ? C4 C5 H5 118.5 . . ? C7 C6 C3 174.8(10) . . ? C7 C6 Ag1 60.0(6) . . ? C3 C6 Ag1 125.1(6) . . ? C6 C7 Ag3 172.6(8) . . ? C6 C7 Ag1 93.0(7) . . ? Ag3 C7 Ag1 84.6(3) . . ? C6 C7 Ag4 106.6(6) . . ? Ag3 C7 Ag4 79.8(3) . . ? Ag1 C7 Ag4 137.1(4) . . ? C6 C7 Ag2 107.3(7) . . ? Ag3 C7 Ag2 78.7(2) . . ? Ag1 C7 Ag2 72.2(3) . . ? Ag4 C7 Ag2 65.7(2) . . ? N2 C8 C9 123.1(9) . . ? N2 C8 H8 118.4 . . ? C9 C8 H8 118.4 . . ? C8 C9 C10 119.6(9) . . ? C8 C9 H9 120.2 . . ? C10 C9 H9 120.2 . . ? C9 C10 C9 117.2(11) 4_556 . ? C9 C10 C11 121.4(5) 4_556 . ? C9 C10 C11 121.4(5) . . ? C12 C11 C10 180.000(2) . . ? C11 C12 Ag4 128.0(3) . . ? C11 C12 Ag4 128.0(3) . 4_556 ? Ag4 C12 Ag4 103.9(5) . 4_556 ? C11 C12 Ag2 112.9(3) . . ? Ag4 C12 Ag2 75.2(2) . . ? Ag4 C12 Ag2 77.1(3) 4_556 . ? C11 C12 Ag2 112.9(3) . 4_556 ? Ag4 C12 Ag2 77.1(3) . 4_556 ? Ag4 C12 Ag2 75.2(2) 4_556 4_556 ? Ag2 C12 Ag2 134.3(6) . 4_556 ? O1 C13 O2 128.9(10) . . ? O1 C13 C14 115.4(9) . . ? O2 C13 C14 115.5(9) . . ? F2 C14 F3 111.2(11) . . ? F2 C14 F1' 61.3(12) . . ? F3 C14 F1' 124.9(18) . . ? F2 C14 F3' 125.4(15) . . ? F3 C14 F3' 28.0(10) . . ? F1' C14 F3' 107.3(13) . . ? F2 C14 F2' 43.3(9) . . ? F3 C14 F2' 78.7(11) . . ? F1' C14 F2' 103.1(12) . . ? F3' C14 F2' 104.2(12) . . ? F2 C14 F1 102.2(10) . . ? F3 C14 F1 105.5(10) . . ? F1' C14 F1 41.5(11) . . ? F3' C14 F1 78.6(12) . . ? F2' C14 F1 140.1(14) . . ? F2 C14 C13 115.5(10) . . ? F3 C14 C13 113.2(11) . . ? F1' C14 C13 118.5(16) . . ? F3' C14 C13 115.7(13) . . ? F2' C14 C13 106.2(13) . . ? F1 C14 C13 108.0(10) . . ? O3 C15 O4 129.7(11) . . ? O3 C15 C16 116.9(9) . . ? O4 C15 C16 113.4(9) . . ? F8 C16 F9' 114.7(15) . . ? F8 C16 F8' 57.8(11) . . ? F9' C16 F8' 108.8(13) . . ? F8 C16 F7 110.3(11) . . ? F9' C16 F7 29.0(8) . . ? F8' C16 F7 132.8(16) . . ? F8 C16 F9 104.8(12) . . ? F9' C16 F9 75.2(11) . . ? F8' C16 F9 49.8(11) . . ? F7 C16 F9 104.0(11) . . ? F8 C16 F7' 44.7(10) . . ? F9' C16 F7' 105.3(11) . . ? F8' C16 F7' 102.5(11) . . ? F7 C16 F7' 83.0(11) . . ? F9 C16 F7' 147.7(17) . . ? F8 C16 C15 120.2(12) . . ? F9' C16 C15 122.0(12) . . ? F8' C16 C15 114.8(13) . . ? F7 C16 C15 109.9(12) . . ? F9 C16 C15 106.2(12) . . ? F7' C16 C15 100.6(15) . . ? O6 C17 O5 131.2(12) . . ? O6 C17 C18 116.2(13) . . ? O5 C17 C18 112.6(12) . . ? F4 C18 F6 107.6(11) . . ? F4 C18 F6' 83.0(11) . . ? F6 C18 F6' 124.1(15) . . ? F4 C18 F5' 28.5(9) . . ? F6 C18 F5' 81.8(11) . . ? F6' C18 F5' 107.7(12) . . ? F4 C18 F5 105.4(12) . . ? F6 C18 F5 108.0(12) . . ? F6' C18 F5 23.9(11) . . ? F5' C18 F5 126.4(15) . . ? F4 C18 F4' 124.0(12) . . ? F6 C18 F4' 25.0(9) . . ? F6' C18 F4' 104.3(11) . . ? F5' C18 F4' 102.9(10) . . ? F5 C18 F4' 84.7(11) . . ? F4 C18 C17 115.1(12) . . ? F6 C18 C17 110.4(12) . . ? F6' C18 C17 113.5(11) . . ? F5' C18 C17 115.4(13) . . ? F5 C18 C17 109.9(13) . . ? F4' C18 C17 112.0(10) . . ? C1 N1 C5 117.1(8) . . ? C1 N1 Ag3 124.3(6) . 6_557 ? C5 N1 Ag3 118.4(6) . 6_557 ? C8 N2 C8 117.4(10) . 4_556 ? C8 N2 Ag5 121.3(5) . 6_657 ? C8 N2 Ag5 121.3(5) 4_556 6_657 ? C13 O1 Ag4 122.2(7) . . ? C13 O2 Ag2 125.4(6) . 4_556 ? C15 O3 Ag1 135.9(7) . 5_767 ? C15 O3 Ag1 122.4(7) . . ? Ag1 O3 Ag1 101.7(3) 5_767 . ? C15 O4 Ag2 125.1(7) . . ? C17 O5 Ag3 120.3(9) . . ? C17 O6 Ag5 126.0(10) . . ? 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 C7 Ag1 Ag2 O4 -145.0(4) . . . . ? O3 Ag1 Ag2 O4 -6.5(7) 5_767 . . . ? O3 Ag1 Ag2 O4 2.4(4) . . . . ? O1W Ag1 Ag2 O4 83.8(4) . . . . ? C6 Ag1 Ag2 O4 -172.4(4) . . . . ? Ag3 Ag1 Ag2 O4 -93.8(3) . . . . ? C7 Ag1 Ag2 C12 -36.3(6) . . . . ? O3 Ag1 Ag2 C12 102.2(8) 5_767 . . . ? O3 Ag1 Ag2 C12 111.2(6) . . . . ? O1W Ag1 Ag2 C12 -167.4(6) . . . . ? C6 Ag1 Ag2 C12 -63.7(6) . . . . ? Ag3 Ag1 Ag2 C12 14.9(5) . . . . ? C7 Ag1 Ag2 O2 105.0(3) . . . 4_556 ? O3 Ag1 Ag2 O2 -116.4(7) 5_767 . . 4_556 ? O3 Ag1 Ag2 O2 -107.5(3) . . . 4_556 ? O1W Ag1 Ag2 O2 -26.1(3) . . . 4_556 ? C6 Ag1 Ag2 O2 77.7(3) . . . 4_556 ? Ag3 Ag1 Ag2 O2 156.3(2) . . . 4_556 ? O3 Ag1 Ag2 C7 138.5(7) 5_767 . . . ? O3 Ag1 Ag2 C7 147.5(3) . . . . ? O1W Ag1 Ag2 C7 -131.1(3) . . . . ? C6 Ag1 Ag2 C7 -27.4(3) . . . . ? Ag3 Ag1 Ag2 C7 51.2(2) . . . . ? C7 Ag1 Ag2 Ag4 -6.8(2) . . . . ? O3 Ag1 Ag2 Ag4 131.7(6) 5_767 . . . ? O3 Ag1 Ag2 Ag4 140.6(2) . . . . ? O1W Ag1 Ag2 Ag4 -137.9(2) . . . . ? C6 Ag1 Ag2 Ag4 -34.2(2) . . . . ? Ag3 Ag1 Ag2 Ag4 44.37(3) . . . . ? C7 Ag1 Ag2 Ag4 79.8(3) . . . 4_556 ? O3 Ag1 Ag2 Ag4 -141.6(6) 5_767 . . 4_556 ? O3 Ag1 Ag2 Ag4 -132.7(3) . . . 4_556 ? O1W Ag1 Ag2 Ag4 -51.3(3) . . . 4_556 ? C6 Ag1 Ag2 Ag4 52.4(2) . . . 4_556 ? Ag3 Ag1 Ag2 Ag4 131.04(10) . . . 4_556 ? C7 Ag1 Ag2 Ag3 -51.2(2) . . . . ? O3 Ag1 Ag2 Ag3 87.3(6) 5_767 . . . ? O3 Ag1 Ag2 Ag3 96.3(2) . . . . ? O1W Ag1 Ag2 Ag3 177.7(2) . . . . ? C6 Ag1 Ag2 Ag3 -78.6(2) . . . . ? O3 Ag1 Ag3 C7 130.0(4) 5_767 . . . ? O3 Ag1 Ag3 C7 -152.4(4) . . . . ? O1W Ag1 Ag3 C7 -80.4(7) . . . . ? C6 Ag1 Ag3 C7 3.4(4) . . . . ? Ag2 Ag1 Ag3 C7 -74.2(3) . . . . ? C7 Ag1 Ag3 N1 159.8(4) . . . 6_657 ? O3 Ag1 Ag3 N1 -70.2(3) 5_767 . . 6_657 ? O3 Ag1 Ag3 N1 7.4(3) . . . 6_657 ? O1W Ag1 Ag3 N1 79.4(7) . . . 6_657 ? C6 Ag1 Ag3 N1 163.1(3) . . . 6_657 ? Ag2 Ag1 Ag3 N1 85.5(3) . . . 6_657 ? C7 Ag1 Ag3 O5 -117.6(4) . . . . ? O3 Ag1 Ag3 O5 12.4(3) 5_767 . . . ? O3 Ag1 Ag3 O5 90.0(3) . . . . ? O1W Ag1 Ag3 O5 162.0(7) . . . . ? C6 Ag1 Ag3 O5 -114.2(3) . . . . ? Ag2 Ag1 Ag3 O5 168.2(3) . . . . ? C7 Ag1 Ag3 Ag4 32.8(3) . . . . ? O3 Ag1 Ag3 Ag4 162.9(2) 5_767 . . . ? O3 Ag1 Ag3 Ag4 -119.59(19) . . . . ? O1W Ag1 Ag3 Ag4 -47.5(7) . . . . ? C6 Ag1 Ag3 Ag4 36.2(2) . . . . ? Ag2 Ag1 Ag3 Ag4 -41.41(3) . . . . ? C7 Ag1 Ag3 Ag2 74.2(3) . . . . ? O3 Ag1 Ag3 Ag2 -155.7(2) 5_767 . . . ? O3 Ag1 Ag3 Ag2 -78.18(19) . . . . ? O1W Ag1 Ag3 Ag2 -6.1(6) . . . . ? C6 Ag1 Ag3 Ag2 77.6(2) . . . . ? C7 Ag1 Ag3 Ag5 -44.5(3) . . . . ? O3 Ag1 Ag3 Ag5 85.6(2) 5_767 . . . ? O3 Ag1 Ag3 Ag5 163.12(18) . . . . ? O1W Ag1 Ag3 Ag5 -124.8(6) . . . . ? C6 Ag1 Ag3 Ag5 -41.1(2) . . . . ? Ag2 Ag1 Ag3 Ag5 -118.71(3) . . . . ? O4 Ag2 Ag3 C7 140.2(3) . . . . ? C12 Ag2 Ag3 C7 -112.2(4) . . . . ? O2 Ag2 Ag3 C7 29.9(4) 4_556 . . . ? Ag4 Ag2 Ag3 C7 -67.7(3) . . . . ? Ag4 Ag2 Ag3 C7 -88.4(3) 4_556 . . . ? Ag1 Ag2 Ag3 C7 60.0(3) . . . . ? O4 Ag2 Ag3 N1 -41.8(3) . . . 6_657 ? C12 Ag2 Ag3 N1 65.9(4) . . . 6_657 ? O2 Ag2 Ag3 N1 -152.0(3) 4_556 . . 6_657 ? C7 Ag2 Ag3 N1 178.1(3) . . . 6_657 ? Ag4 Ag2 Ag3 N1 110.3(2) . . . 6_657 ? Ag4 Ag2 Ag3 N1 89.7(2) 4_556 . . 6_657 ? Ag1 Ag2 Ag3 N1 -122.0(2) . . . 6_657 ? O4 Ag2 Ag3 O5 60.5(5) . . . . ? C12 Ag2 Ag3 O5 168.1(5) . . . . ? O2 Ag2 Ag3 O5 -49.8(5) 4_556 . . . ? C7 Ag2 Ag3 O5 -79.7(5) . . . . ? Ag4 Ag2 Ag3 O5 -147.5(4) . . . . ? Ag4 Ag2 Ag3 O5 -168.1(4) 4_556 . . . ? Ag1 Ag2 Ag3 O5 -19.7(4) . . . . ? O4 Ag2 Ag3 Ag1 80.2(2) . . . . ? C12 Ag2 Ag3 Ag1 -172.1(3) . . . . ? O2 Ag2 Ag3 Ag1 -30.0(3) 4_556 . . . ? C7 Ag2 Ag3 Ag1 -60.0(3) . . . . ? Ag4 Ag2 Ag3 Ag1 -127.71(4) . . . . ? Ag4 Ag2 Ag3 Ag1 -148.37(7) 4_556 . . . ? O4 Ag2 Ag3 Ag4 -152.1(2) . . . . ? C12 Ag2 Ag3 Ag4 -44.4(3) . . . . ? O2 Ag2 Ag3 Ag4 97.7(3) 4_556 . . . ? C7 Ag2 Ag3 Ag4 67.7(3) . . . . ? Ag4 Ag2 Ag3 Ag4 -20.66(4) 4_556 . . . ? Ag1 Ag2 Ag3 Ag4 127.71(4) . . . . ? O4 Ag2 Ag3 Ag5 173.6(2) . . . . ? C12 Ag2 Ag3 Ag5 -78.7(3) . . . . ? O2 Ag2 Ag3 Ag5 63.4(3) 4_556 . . . ? C7 Ag2 Ag3 Ag5 33.5(3) . . . . ? Ag4 Ag2 Ag3 Ag5 -34.28(4) . . . . ? Ag4 Ag2 Ag3 Ag5 -54.94(7) 4_556 . . . ? Ag1 Ag2 Ag3 Ag5 93.43(4) . . . . ? O4 Ag2 Ag4 O1 169.5(4) . . . . ? C12 Ag2 Ag4 O1 -118.9(4) . . . . ? O2 Ag2 Ag4 O1 1.6(3) 4_556 . . . ? C7 Ag2 Ag4 O1 74.3(3) . . . . ? Ag4 Ag2 Ag4 O1 -70.2(3) 4_556 . . . ? Ag1 Ag2 Ag4 O1 80.6(3) . . . . ? Ag3 Ag2 Ag4 O1 124.1(3) . . . . ? O4 Ag2 Ag4 C12 -71.7(4) . . . . ? O2 Ag2 Ag4 C12 120.5(4) 4_556 . . . ? C7 Ag2 Ag4 C12 -166.8(4) . . . . ? Ag4 Ag2 Ag4 C12 48.6(3) 4_556 . . . ? Ag1 Ag2 Ag4 C12 -160.5(3) . . . . ? Ag3 Ag2 Ag4 C12 -117.0(3) . . . . ? O4 Ag2 Ag4 C7 95.1(4) . . . . ? C12 Ag2 Ag4 C7 166.8(4) . . . . ? O2 Ag2 Ag4 C7 -72.7(3) 4_556 . . . ? Ag4 Ag2 Ag4 C7 -144.5(2) 4_556 . . . ? Ag1 Ag2 Ag4 C7 6.3(2) . . . . ? Ag3 Ag2 Ag4 C7 49.8(2) . . . . ? O4 Ag2 Ag4 Ag2 -100.1(3) . . . 4_556 ? C12 Ag2 Ag4 Ag2 -28.4(3) . . . 4_556 ? O2 Ag2 Ag4 Ag2 92.1(2) 4_556 . . 4_556 ? C7 Ag2 Ag4 Ag2 164.8(2) . . . 4_556 ? Ag4 Ag2 Ag4 Ag2 20.24(5) 4_556 . . 4_556 ? Ag1 Ag2 Ag4 Ag2 171.05(3) . . . 4_556 ? Ag3 Ag2 Ag4 Ag2 -145.41(4) . . . 4_556 ? O4 Ag2 Ag4 Ag3 45.3(3) . . . . ? C12 Ag2 Ag4 Ag3 117.0(3) . . . . ? O2 Ag2 Ag4 Ag3 -122.5(2) 4_556 . . . ? C7 Ag2 Ag4 Ag3 -49.8(2) . . . . ? Ag4 Ag2 Ag4 Ag3 165.65(3) 4_556 . . . ? Ag1 Ag2 Ag4 Ag3 -43.54(3) . . . . ? C7 Ag3 Ag4 O1 -56.1(4) . . . . ? N1 Ag3 Ag4 O1 140.0(4) 6_657 . . . ? O5 Ag3 Ag4 O1 9.1(6) . . . . ? Ag1 Ag3 Ag4 O1 -86.5(3) . . . . ? Ag2 Ag3 Ag4 O1 -129.7(3) . . . . ? Ag5 Ag3 Ag4 O1 21.5(3) . . . . ? C7 Ag3 Ag4 C12 119.0(4) . . . . ? N1 Ag3 Ag4 C12 -44.8(3) 6_657 . . . ? O5 Ag3 Ag4 C12 -175.8(5) . . . . ? Ag1 Ag3 Ag4 C12 88.7(2) . . . . ? Ag2 Ag3 Ag4 C12 45.5(2) . . . . ? Ag5 Ag3 Ag4 C12 -163.4(2) . . . . ? N1 Ag3 Ag4 C7 -163.9(4) 6_657 . . . ? O5 Ag3 Ag4 C7 65.2(6) . . . . ? Ag1 Ag3 Ag4 C7 -30.3(3) . . . . ? Ag2 Ag3 Ag4 C7 -73.5(3) . . . . ? Ag5 Ag3 Ag4 C7 77.6(3) . . . . ? C7 Ag3 Ag4 Ag2 73.5(3) . . . . ? N1 Ag3 Ag4 Ag2 -90.3(2) 6_657 . . . ? O5 Ag3 Ag4 Ag2 138.7(5) . . . . ? Ag1 Ag3 Ag4 Ag2 43.18(3) . . . . ? Ag5 Ag3 Ag4 Ag2 151.14(3) . . . . ? C7 Ag3 Ag4 Ag2 140.7(3) . . . 4_556 ? N1 Ag3 Ag4 Ag2 -23.1(3) 6_657 . . 4_556 ? O5 Ag3 Ag4 Ag2 -154.1(5) . . . 4_556 ? Ag1 Ag3 Ag4 Ag2 110.39(8) . . . 4_556 ? Ag2 Ag3 Ag4 Ag2 67.21(7) . . . 4_556 ? Ag5 Ag3 Ag4 Ag2 -141.65(8) . . . 4_556 ? C7 Ag3 Ag5 N2 -10.7(2) . . . 6_557 ? N1 Ag3 Ag5 N2 -179.3(2) 6_657 . . 6_557 ? O5 Ag3 Ag5 N2 104.2(3) . . . 6_557 ? Ag1 Ag3 Ag5 N2 24.19(3) . . . 6_557 ? Ag4 Ag3 Ag5 N2 -69.54(3) . . . 6_557 ? Ag2 Ag3 Ag5 N2 -40.74(4) . . . 6_557 ? C7 Ag3 Ag5 O6 -134.8(3) . . . . ? N1 Ag3 Ag5 O6 56.5(3) 6_657 . . . ? O5 Ag3 Ag5 O6 -19.9(4) . . . . ? Ag1 Ag3 Ag5 O6 -99.9(3) . . . . ? Ag4 Ag3 Ag5 O6 166.3(3) . . . . ? Ag2 Ag3 Ag5 O6 -164.9(2) . . . . ? C7 Ag3 Ag5 O6 108.9(4) . . . 4_557 ? N1 Ag3 Ag5 O6 -59.8(4) 6_657 . . 4_557 ? O5 Ag3 Ag5 O6 -136.2(4) . . . 4_557 ? Ag1 Ag3 Ag5 O6 143.8(3) . . . 4_557 ? Ag4 Ag3 Ag5 O6 50.0(3) . . . 4_557 ? Ag2 Ag3 Ag5 O6 78.8(3) . . . 4_557 ? C7 Ag3 Ag5 Ag3 169.3(2) . . . 4_557 ? N1 Ag3 Ag5 Ag3 0.7(2) 6_657 . . 4_557 ? O5 Ag3 Ag5 Ag3 -75.8(3) . . . 4_557 ? Ag1 Ag3 Ag5 Ag3 -155.82(3) . . . 4_557 ? Ag4 Ag3 Ag5 Ag3 110.45(3) . . . 4_557 ? Ag2 Ag3 Ag5 Ag3 139.25(4) . . . 4_557 ? N1 C1 C2 C3 -1.2(17) . . . . ? C1 C2 C3 C4 0.7(15) . . . . ? C1 C2 C3 C6 176.8(9) . . . . ? C2 C3 C4 C5 -0.1(15) . . . . ? C6 C3 C4 C5 -176.1(9) . . . . ? C3 C4 C5 N1 -0.2(17) . . . . ? C4 C3 C6 C7 155(10) . . . . ? C2 C3 C6 C7 -21(11) . . . . ? C4 C3 C6 Ag1 -13.5(12) . . . . ? C2 C3 C6 Ag1 170.6(7) . . . . ? O3 Ag1 C6 C7 -111.9(7) 5_767 . . . ? O3 Ag1 C6 C7 50.9(10) . . . . ? O1W Ag1 C6 C7 152.0(6) . . . . ? Ag3 Ag1 C6 C7 -5.2(6) . . . . ? Ag2 Ag1 C6 C7 61.2(6) . . . . ? C7 Ag1 C6 C3 178.8(12) . . . . ? O3 Ag1 C6 C3 66.9(9) 5_767 . . . ? O3 Ag1 C6 C3 -130.3(8) . . . . ? O1W Ag1 C6 C3 -29.2(8) . . . . ? Ag3 Ag1 C6 C3 173.6(8) . . . . ? Ag2 Ag1 C6 C3 -120.0(7) . . . . ? C3 C6 C7 Ag3 -99(11) . . . . ? Ag1 C6 C7 Ag3 70(7) . . . . ? C3 C6 C7 Ag1 -169(10) . . . . ? C3 C6 C7 Ag4 50(11) . . . . ? Ag1 C6 C7 Ag4 -141.3(6) . . . . ? C3 C6 C7 Ag2 119(10) . . . . ? Ag1 C6 C7 Ag2 -72.2(4) . . . . ? N1 Ag3 C7 C6 -150(6) 6_657 . . . ? O5 Ag3 C7 C6 -2(7) . . . . ? Ag1 Ag3 C7 C6 -71(7) . . . . ? Ag4 Ag3 C7 C6 149(7) . . . . ? Ag2 Ag3 C7 C6 -144(7) . . . . ? Ag5 Ag3 C7 C6 65(7) . . . . ? N1 Ag3 C7 Ag1 -79.3(11) 6_657 . . . ? O5 Ag3 C7 Ag1 68.3(4) . . . . ? Ag4 Ag3 C7 Ag1 -139.9(4) . . . . ? Ag2 Ag3 C7 Ag1 -72.9(2) . . . . ? Ag5 Ag3 C7 Ag1 135.9(3) . . . . ? N1 Ag3 C7 Ag4 60.6(12) 6_657 . . . ? O5 Ag3 C7 Ag4 -151.8(3) . . . . ? Ag1 Ag3 C7 Ag4 139.9(4) . . . . ? Ag2 Ag3 C7 Ag4 66.98(17) . . . . ? Ag5 Ag3 C7 Ag4 -84.25(19) . . . . ? N1 Ag3 C7 Ag2 -6.4(12) 6_657 . . . ? O5 Ag3 C7 Ag2 141.2(3) . . . . ? Ag1 Ag3 C7 Ag2 72.9(2) . . . . ? Ag4 Ag3 C7 Ag2 -66.98(17) . . . . ? Ag5 Ag3 C7 Ag2 -151.2(2) . . . . ? O3 Ag1 C7 C6 93.3(7) 5_767 . . . ? O3 Ag1 C7 C6 -150.3(6) . . . . ? O1W Ag1 C7 C6 -35.2(8) . . . . ? Ag3 Ag1 C7 C6 173.0(8) . . . . ? Ag2 Ag1 C7 C6 -107.2(7) . . . . ? O3 Ag1 C7 Ag3 -79.7(4) 5_767 . . . ? O3 Ag1 C7 Ag3 36.7(5) . . . . ? O1W Ag1 C7 Ag3 151.9(3) . . . . ? C6 Ag1 C7 Ag3 -173.0(8) . . . . ? Ag2 Ag1 C7 Ag3 79.8(2) . . . . ? O3 Ag1 C7 Ag4 -148.4(5) 5_767 . . . ? O3 Ag1 C7 Ag4 -32.0(7) . . . . ? O1W Ag1 C7 Ag4 83.2(6) . . . . ? C6 Ag1 C7 Ag4 118.4(10) . . . . ? Ag3 Ag1 C7 Ag4 -68.7(4) . . . . ? Ag2 Ag1 C7 Ag4 11.1(4) . . . . ? O3 Ag1 C7 Ag2 -159.5(3) 5_767 . . . ? O3 Ag1 C7 Ag2 -43.1(4) . . . . ? O1W Ag1 C7 Ag2 72.0(4) . . . . ? C6 Ag1 C7 Ag2 107.2(7) . . . . ? Ag3 Ag1 C7 Ag2 -79.8(2) . . . . ? O1 Ag4 C7 C6 -35.2(8) . . . . ? C12 Ag4 C7 C6 113.2(7) . . . . ? Ag2 Ag4 C7 C6 101.9(8) . . . . ? Ag2 Ag4 C7 C6 65.5(9) 4_556 . . . ? Ag3 Ag4 C7 C6 -176.1(9) . . . . ? O1 Ag4 C7 Ag3 140.8(3) . . . . ? C12 Ag4 C7 Ag3 -70.7(4) . . . . ? Ag2 Ag4 C7 Ag3 -82.1(2) . . . . ? Ag2 Ag4 C7 Ag3 -118.4(3) 4_556 . . . ? O1 Ag4 C7 Ag1 -148.7(5) . . . . ? C12 Ag4 C7 Ag1 -0.3(7) . . . . ? Ag2 Ag4 C7 Ag1 -11.7(4) . . . . ? Ag2 Ag4 C7 Ag1 -48.0(8) 4_556 . . . ? Ag3 Ag4 C7 Ag1 70.4(4) . . . . ? O1 Ag4 C7 Ag2 -137.1(3) . . . . ? C12 Ag4 C7 Ag2 11.4(3) . . . . ? Ag2 Ag4 C7 Ag2 -36.3(4) 4_556 . . . ? Ag3 Ag4 C7 Ag2 82.1(2) . . . . ? O4 Ag2 C7 C6 128.1(7) . . . . ? C12 Ag2 C7 C6 -111.5(7) . . . . ? O2 Ag2 C7 C6 18.3(7) 4_556 . . . ? Ag4 Ag2 C7 C6 -100.8(7) . . . . ? Ag4 Ag2 C7 C6 -58.8(7) 4_556 . . . ? Ag1 Ag2 C7 C6 87.5(7) . . . . ? Ag3 Ag2 C7 C6 175.4(8) . . . . ? O4 Ag2 C7 Ag3 -47.3(4) . . . . ? C12 Ag2 C7 Ag3 73.1(3) . . . . ? O2 Ag2 C7 Ag3 -157.1(3) 4_556 . . . ? Ag4 Ag2 C7 Ag3 83.8(2) . . . . ? Ag4 Ag2 C7 Ag3 125.84(15) 4_556 . . . ? Ag1 Ag2 C7 Ag3 -87.9(2) . . . . ? O4 Ag2 C7 Ag1 40.5(4) . . . . ? C12 Ag2 C7 Ag1 161.0(3) . . . . ? O2 Ag2 C7 Ag1 -69.2(2) 4_556 . . . ? Ag4 Ag2 C7 Ag1 171.7(3) . . . . ? Ag4 Ag2 C7 Ag1 -146.29(10) 4_556 . . . ? Ag3 Ag2 C7 Ag1 87.9(2) . . . . ? O4 Ag2 C7 Ag4 -131.2(3) . . . . ? C12 Ag2 C7 Ag4 -10.7(3) . . . . ? O2 Ag2 C7 Ag4 119.1(2) 4_556 . . . ? Ag4 Ag2 C7 Ag4 42.0(2) 4_556 . . . ? Ag1 Ag2 C7 Ag4 -171.7(3) . . . . ? Ag3 Ag2 C7 Ag4 -83.8(2) . . . . ? N2 C8 C9 C10 -0.6(14) . . . . ? C8 C9 C10 C9 0.3(7) . . . 4_556 ? C8 C9 C10 C11 -179.7(7) . . . . ? C9 C10 C11 C12 0(100) 4_556 . . . ? C9 C10 C11 C12 0(100) . . . . ? C10 C11 C12 Ag4 0(100) . . . . ? C10 C11 C12 Ag4 0(100) . . . 4_556 ? C10 C11 C12 Ag2 0(100) . . . . ? C10 C11 C12 Ag2 0(100) . . . 4_556 ? O1 Ag4 C12 C11 -130.8(4) . . . . ? C7 Ag4 C12 C11 95.2(2) . . . . ? Ag2 Ag4 C12 C11 107.65(18) . . . . ? Ag2 Ag4 C12 C11 -109.08(19) 4_556 . . . ? Ag3 Ag4 C12 C11 54.28(4) . . . . ? O1 Ag4 C12 Ag4 49.2(4) . . . 4_556 ? C7 Ag4 C12 Ag4 -84.8(2) . . . 4_556 ? Ag2 Ag4 C12 Ag4 -72.35(18) . . . 4_556 ? Ag2 Ag4 C12 Ag4 70.92(19) 4_556 . . 4_556 ? Ag3 Ag4 C12 Ag4 -125.73(4) . . . 4_556 ? O1 Ag4 C12 Ag2 121.5(3) . . . . ? C7 Ag4 C12 Ag2 -12.4(4) . . . . ? Ag2 Ag4 C12 Ag2 143.3(4) 4_556 . . . ? Ag3 Ag4 C12 Ag2 -53.4(2) . . . . ? O1 Ag4 C12 Ag2 -21.7(5) . . . 4_556 ? C7 Ag4 C12 Ag2 -155.7(2) . . . 4_556 ? Ag2 Ag4 C12 Ag2 -143.3(4) . . . 4_556 ? Ag3 Ag4 C12 Ag2 163.35(18) . . . 4_556 ? O4 Ag2 C12 C11 13.6(3) . . . . ? O2 Ag2 C12 C11 142.4(3) 4_556 . . . ? C7 Ag2 C12 C11 -114.48(18) . . . . ? Ag4 Ag2 C12 C11 -125.46(19) . . . . ? Ag4 Ag2 C12 C11 126.12(19) 4_556 . . . ? Ag1 Ag2 C12 C11 -87.5(5) . . . . ? Ag3 Ag2 C12 C11 -74.87(3) . . . . ? O4 Ag2 C12 Ag4 139.0(3) . . . . ? O2 Ag2 C12 Ag4 -92.1(3) 4_556 . . . ? C7 Ag2 C12 Ag4 11.0(3) . . . . ? Ag4 Ag2 C12 Ag4 -108.4(4) 4_556 . . . ? Ag1 Ag2 C12 Ag4 37.9(6) . . . . ? Ag3 Ag2 C12 Ag4 50.59(19) . . . . ? O4 Ag2 C12 Ag4 -112.5(4) . . . 4_556 ? O2 Ag2 C12 Ag4 16.3(4) 4_556 . . 4_556 ? C7 Ag2 C12 Ag4 119.4(2) . . . 4_556 ? Ag4 Ag2 C12 Ag4 108.4(4) . . . 4_556 ? Ag1 Ag2 C12 Ag4 146.3(3) . . . 4_556 ? Ag3 Ag2 C12 Ag4 159.01(19) . . . 4_556 ? O4 Ag2 C12 Ag2 -166.4(3) . . . 4_556 ? O2 Ag2 C12 Ag2 -37.6(3) 4_556 . . 4_556 ? C7 Ag2 C12 Ag2 65.52(18) . . . 4_556 ? Ag4 Ag2 C12 Ag2 54.54(19) . . . 4_556 ? Ag4 Ag2 C12 Ag2 -53.88(19) 4_556 . . 4_556 ? Ag1 Ag2 C12 Ag2 92.5(5) . . . 4_556 ? Ag3 Ag2 C12 Ag2 105.13(3) . . . 4_556 ? O1 C13 C14 F2 -176.4(11) . . . . ? O2 C13 C14 F2 8.0(15) . . . . ? O1 C13 C14 F3 -46.5(14) . . . . ? O2 C13 C14 F3 137.9(12) . . . . ? O1 C13 C14 F1' 113.8(17) . . . . ? O2 C13 C14 F1' -61.8(18) . . . . ? O1 C13 C14 F3' -15.8(17) . . . . ? O2 C13 C14 F3' 168.6(14) . . . . ? O1 C13 C14 F2' -130.9(13) . . . . ? O2 C13 C14 F2' 53.5(15) . . . . ? O1 C13 C14 F1 69.9(12) . . . . ? O2 C13 C14 F1 -105.7(11) . . . . ? O3 C15 C16 F8 30.2(17) . . . . ? O4 C15 C16 F8 -150.2(13) . . . . ? O3 C15 C16 F9' -170.7(13) . . . . ? O4 C15 C16 F9' 8.9(18) . . . . ? O3 C15 C16 F8' -35.6(17) . . . . ? O4 C15 C16 F8' 144.0(14) . . . . ? O3 C15 C16 F7 159.9(12) . . . . ? O4 C15 C16 F7 -20.5(15) . . . . ? O3 C15 C16 F9 -88.3(13) . . . . ? O4 C15 C16 F9 91.4(13) . . . . ? O3 C15 C16 F7' 73.5(14) . . . . ? O4 C15 C16 F7' -106.8(14) . . . . ? O6 C17 C18 F4 151.0(13) . . . . ? O5 C17 C18 F4 -29.2(16) . . . . ? O6 C17 C18 F6 -86.9(17) . . . . ? O5 C17 C18 F6 92.9(16) . . . . ? O6 C17 C18 F6' 57.6(16) . . . . ? O5 C17 C18 F6' -122.5(15) . . . . ? O6 C17 C18 F5' -177.4(15) . . . . ? O5 C17 C18 F5' 2.5(18) . . . . ? O6 C17 C18 F5 32.1(18) . . . . ? O5 C17 C18 F5 -148.0(15) . . . . ? O6 C17 C18 F4' -60.2(15) . . . . ? O5 C17 C18 F4' 119.7(13) . . . . ? C2 C1 N1 C5 0.8(16) . . . . ? C2 C1 N1 Ag3 -173.8(8) . . . 6_557 ? C4 C5 N1 C1 -0.1(16) . . . . ? C4 C5 N1 Ag3 174.8(8) . . . 6_557 ? C9 C8 N2 C8 0.3(7) . . . 4_556 ? C9 C8 N2 Ag5 -179.7(7) . . . 6_657 ? O2 C13 O1 Ag4 2.4(17) . . . . ? C14 C13 O1 Ag4 -172.5(7) . . . . ? C12 Ag4 O1 C13 18.4(11) . . . . ? C7 Ag4 O1 C13 155.7(9) . . . . ? Ag2 Ag4 O1 C13 97.0(8) . . . . ? Ag2 Ag4 O1 C13 1.3(8) 4_556 . . . ? Ag3 Ag4 O1 C13 -168.4(7) . . . . ? O1 C13 O2 Ag2 -6.1(17) . . . 4_556 ? C14 C13 O2 Ag2 168.8(7) . . . 4_556 ? O4 C15 O3 Ag1 165.7(10) . . . 5_767 ? C16 C15 O3 Ag1 -14.7(17) . . . 5_767 ? O4 C15 O3 Ag1 -14.7(18) . . . . ? C16 C15 O3 Ag1 164.9(7) . . . . ? C7 Ag1 O3 C15 40.7(11) . . . . ? O3 Ag1 O3 C15 -179.7(12) 5_767 . . . ? O1W Ag1 O3 C15 -93.3(10) . . . . ? C6 Ag1 O3 C15 13.6(13) . . . . ? Ag3 Ag1 O3 C15 65.5(9) . . . . ? Ag2 Ag1 O3 C15 3.7(9) . . . . ? C7 Ag1 O3 Ag1 -139.6(3) . . . 5_767 ? O3 Ag1 O3 Ag1 0.0 5_767 . . 5_767 ? O1W Ag1 O3 Ag1 86.4(3) . . . 5_767 ? C6 Ag1 O3 Ag1 -166.7(4) . . . 5_767 ? Ag3 Ag1 O3 Ag1 -114.8(3) . . . 5_767 ? Ag2 Ag1 O3 Ag1 -176.6(3) . . . 5_767 ? O3 C15 O4 Ag2 19.1(19) . . . . ? C16 C15 O4 Ag2 -160.5(8) . . . . ? C12 Ag2 O4 C15 -158.9(10) . . . . ? O2 Ag2 O4 C15 61.0(11) 4_556 . . . ? C7 Ag2 O4 C15 -39.9(12) . . . . ? Ag4 Ag2 O4 C15 -107.4(10) . . . . ? Ag4 Ag2 O4 C15 146.6(10) 4_556 . . . ? Ag1 Ag2 O4 C15 -10.8(10) . . . . ? Ag3 Ag2 O4 C15 -69.3(11) . . . . ? O6 C17 O5 Ag3 -15.0(19) . . . . ? C18 C17 O5 Ag3 165.2(7) . . . . ? C7 Ag3 O5 C17 91.0(9) . . . . ? N1 Ag3 O5 C17 -98.0(9) 6_657 . . . ? Ag1 Ag3 O5 C17 137.3(9) . . . . ? Ag4 Ag3 O5 C17 38.4(12) . . . . ? Ag2 Ag3 O5 C17 154.2(7) . . . . ? Ag5 Ag3 O5 C17 26.0(9) . . . . ? O5 C17 O6 Ag5 -18.9(19) . . . . ? C18 C17 O6 Ag5 160.9(7) . . . . ? N2 Ag5 O6 C17 -90.0(10) 6_557 . . . ? O6 Ag5 O6 C17 90.0(10) 4_557 . . . ? Ag3 Ag5 O6 C17 156.2(11) 4_557 . . . ? Ag3 Ag5 O6 C17 29.4(10) . . . . ? _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 28.24 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 1.992 _refine_diff_density_min -1.290 _refine_diff_density_rms 0.201 #===END data_Compound-2 _database_code_depnum_ccdc_archive 'CCDC 707143' #TrackingRef 'si-1-2-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 4-Pyridylethynide-AgNO3 _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C14 H8 Ag6 N6 O12' _chemical_formula_weight 1099.48 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 P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 7.8300(4) _cell_length_b 19.3402(9) _cell_length_c 15.1026(7) _cell_angle_alpha 90.00 _cell_angle_beta 95.7250(10) _cell_angle_gamma 90.00 _cell_volume 2275.64(19) _cell_formula_units_Z 4 _cell_measurement_temperature 300(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.209 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2048 _exptl_absorpt_coefficient_mu 5.139 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.513 _exptl_absorpt_correction_T_max 0.851 _exptl_absorpt_process_details SADABS,Sheldrick,1997 _exptl_special_details ; ? ; _diffrn_ambient_temperature 300(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 'Bruker Smart Apex II CCD' _diffrn_measurement_method '\f and \w' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13793 _diffrn_reflns_av_R_equivalents 0.1445 _diffrn_reflns_av_sigmaI/netI 0.0842 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 1.72 _diffrn_reflns_theta_max 22.50 _reflns_number_total 2911 _reflns_number_gt 2610 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+569.6424P] 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 2911 _refine_ls_number_parameters 427 _refine_ls_number_restraints 44 _refine_ls_R_factor_all 0.1732 _refine_ls_R_factor_gt 0.1647 _refine_ls_wR_factor_ref 0.3332 _refine_ls_wR_factor_gt 0.3290 _refine_ls_goodness_of_fit_ref 1.102 _refine_ls_restrained_S_all 1.093 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.5205(5) 0.67296(16) 0.2494(2) 0.0479(10) Uani 1 1 d . . . Ag2 Ag 1.0279(5) 0.67107(16) 0.2728(3) 0.0500(11) Uani 1 1 d . . . Ag3 Ag 1.0396(6) 0.7681(2) 0.1208(2) 0.0676(13) Uani 1 1 d . . . Ag4 Ag 0.5275(7) 0.7682(2) 0.1017(2) 0.0787(16) Uani 1 1 d . . . Ag5 Ag 0.7853(5) 0.7674(2) 0.3477(3) 0.0626(12) Uani 1 1 d . . . Ag6 Ag 0.3139(5) 0.7725(2) 0.3545(3) 0.0621(12) Uani 1 1 d . . . C1 C 0.981(4) 0.5220(14) 0.3414(13) 0.09(2) Uani 1 1 d G . . H1 H 0.9707 0.5442 0.3951 0.112 Uiso 1 1 calc R . . C2 C 0.958(5) 0.4508(13) 0.3347(16) 0.061(14) Uani 1 1 d G . . H2 H 0.9327 0.4255 0.3840 0.074 Uiso 1 1 calc R . . C3 C 0.974(4) 0.4175(9) 0.2544(19) 0.044(11) Uani 1 1 d G . . C4 C 1.012(4) 0.4553(12) 0.1807(15) 0.048(11) Uani 1 1 d G . . H4 H 1.0229 0.4330 0.1269 0.057 Uiso 1 1 calc R . . C5 C 1.035(4) 0.5265(12) 0.1873(14) 0.065(15) Uani 1 1 d G . . H5 H 1.0610 0.5518 0.1380 0.078 Uiso 1 1 calc R . . N1 N 1.020(3) 0.5598(9) 0.2677(16) 0.021(7) Uani 1 1 d G . . C6 C 0.978(6) 0.342(2) 0.245(3) 0.043(11) Uani 1 1 d . . . C7 C 0.985(5) 0.282(2) 0.229(3) 0.043(10) Uani 1 1 d . . . C8 C 0.982(4) 0.9575(18) 0.340(2) 0.022(8) Uani 1 1 d . . . H8 H 0.9694 0.9374 0.3952 0.027 Uiso 1 1 calc R . . C9 C 1.010(5) 0.919(2) 0.265(2) 0.031(9) Uani 1 1 d . . . C10 C 1.042(5) 0.954(2) 0.184(3) 0.040(10) Uani 1 1 d . . . H10 H 1.0663 0.9303 0.1337 0.048 Uiso 1 1 calc R . . C11 C 0.463(4) 0.5238(17) 0.314(2) 0.020(8) Uani 1 1 d . . . H11 H 0.4400 0.5480 0.3650 0.024 Uiso 1 1 calc R . . C12 C 0.524(5) 0.525(2) 0.174(3) 0.037(10) Uani 1 1 d . . . H12 H 0.5502 0.5509 0.1248 0.045 Uiso 1 1 calc R . . C13 C 1.040(7) 0.844(3) 0.261(3) 0.057(13) Uani 1 1 d . . . C14 C 1.069(5) 0.777(2) 0.273(3) 0.035(9) Uani 1 1 d . . . N2 N 0.502(4) 0.5605(14) 0.2412(19) 0.023(7) Uani 1 1 d . . . N3 N 0.279(5) 0.8493(14) 0.5264(16) 0.045(9) Uani 1 1 d D . . O1 O 0.354(6) 0.7955(19) 0.485(2) 0.117(16) Uani 1 1 d D . . O2 O 0.292(8) 0.9147(17) 0.492(3) 0.15(2) Uani 1 1 d D . . O3 O 0.264(4) 0.8428(16) 0.6162(16) 0.058(9) Uani 1 1 d D . . N5 N 0.77(3) 0.874(4) -0.013(8) 0.21(11) Uani 0.54(8) 1 d PD . 1 O7 O 0.819(9) 0.846(3) -0.090(4) 0.03(2) Uani 0.54(8) 1 d PD . 1 O8 O 0.746(19) 0.832(5) 0.059(5) 0.11(5) Uani 0.54(8) 1 d PD . 1 O9 O 0.736(11) 0.944(3) -0.008(5) 0.10(3) Uani 0.54(8) 1 d PD . 1 N6 N 1.199(9) 0.666(3) 0.011(3) 0.04(2) Uani 0.59(6) 1 d PD . 1 O10 O 1.243(9) 0.618(3) -0.050(4) 0.08(2) Uani 0.59(6) 1 d PD . 1 O11 O 1.095(9) 0.721(3) -0.016(4) 0.11(3) Uiso 0.59(6) 1 d PD . 1 O12 O 1.260(7) 0.660(3) 0.100(3) 0.045(15) Uani 0.59(6) 1 d PD . 1 N4 N 0.261(6) 0.846(2) -0.019(4) 0.040(19) Uani 0.63(8) 1 d PD . 1 O4 O 0.246(12) 0.874(6) 0.064(5) 0.16(6) Uani 0.63(8) 1 d PD . 1 O5 O 0.404(6) 0.807(3) -0.033(3) 0.059(19) Uani 0.63(8) 1 d PD . 1 O6 O 0.134(10) 0.857(6) -0.087(6) 0.17(7) Uani 0.63(8) 1 d PD . 1 O7' O 0.789(12) 0.871(7) -0.090(4) 0.09(5) Uani 0.46(8) 1 d PD . 2 N5' N 0.716(7) 0.846(4) -0.017(3) 0.016(18) Uani 0.46(8) 1 d PD . 2 O8' O 0.558(7) 0.814(4) -0.028(4) 0.06(3) Uani 0.46(8) 1 d PD . 2 O9' O 0.803(7) 0.852(4) 0.067(3) 0.016(18) Uani 0.46(8) 1 d PD . 2 N6' N 0.260(9) 0.655(4) 0.037(5) 0.02(2) Uani 0.41(6) 1 d PD . 2 O10' O 0.401(6) 0.680(3) -0.001(4) 0.027(18) Uani 0.41(6) 1 d PD . 2 O11' O 0.163(8) 0.602(4) -0.004(5) 0.05(2) Uani 0.41(6) 1 d PD . 2 O12' O 0.21(2) 0.684(10) 0.115(9) 0.22(13) Uiso 0.41(6) 1 d PD . 2 O4' O 0.319(13) 0.855(5) 0.051(5) 0.05(3) Uani 0.37(8) 1 d PD . 2 N4' N 0.238(19) 0.890(4) -0.021(6) 0.09(5) Uani 0.37(8) 1 d PD . 2 O6' O 0.208(15) 0.857(6) -0.102(5) 0.05(3) Uani 0.37(8) 1 d PD . 2 O5' O 0.19(6) 0.957(9) -0.012(13) 2(3) Uiso 0.37(8) 1 d PD . 2 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 0.078(3) 0.0143(16) 0.055(2) -0.0017(14) 0.0238(19) -0.0002(16) Ag2 0.055(2) 0.0186(17) 0.076(3) 0.0041(16) 0.0027(18) -0.0033(15) Ag3 0.089(3) 0.068(3) 0.045(2) -0.015(2) 0.005(2) 0.010(2) Ag4 0.146(5) 0.059(3) 0.0294(19) -0.0013(18) -0.001(2) 0.005(3) Ag5 0.060(2) 0.060(3) 0.066(2) 0.006(2) -0.002(2) 0.002(2) Ag6 0.057(2) 0.060(3) 0.073(3) 0.008(2) 0.022(2) -0.008(2) C1 0.10(5) 0.09(5) 0.09(5) 0.00(4) 0.01(4) 0.00(4) C2 0.06(3) 0.06(3) 0.06(3) 0.00(3) 0.01(3) 0.00(3) C3 0.05(3) 0.04(3) 0.05(3) 0.00(2) 0.00(2) 0.01(2) C4 0.05(3) 0.05(3) 0.05(3) 0.00(2) 0.00(2) 0.00(2) C5 0.07(4) 0.06(4) 0.07(4) 0.00(3) 0.00(3) 0.00(3) N1 0.022(16) 0.014(15) 0.027(17) -0.005(13) -0.003(13) 0.003(12) C6 0.04(3) 0.04(3) 0.05(3) 0.00(2) 0.00(2) 0.00(2) C7 0.04(3) 0.04(3) 0.04(3) -0.01(2) 0.00(2) 0.00(2) C8 0.03(2) 0.02(2) 0.018(18) 0.004(15) 0.010(16) 0.000(16) C9 0.03(2) 0.03(2) 0.03(2) 0.002(17) 0.004(18) 0.003(17) C10 0.04(3) 0.04(3) 0.04(2) -0.001(19) 0.01(2) 0.00(2) C11 0.023(19) 0.02(2) 0.019(19) 0.001(15) 0.005(15) 0.001(15) C12 0.04(3) 0.04(3) 0.03(2) 0.00(2) 0.01(2) 0.00(2) C13 0.06(3) 0.06(3) 0.05(3) -0.01(2) 0.01(3) 0.00(3) C14 0.04(2) 0.03(2) 0.04(2) -0.002(18) 0.012(18) 0.001(19) N2 0.027(16) 0.016(16) 0.025(17) 0.000(13) 0.003(13) 0.001(13) N3 0.04(2) 0.05(2) 0.04(2) 0.002(18) 0.004(18) -0.010(18) O1 0.12(4) 0.12(4) 0.12(4) 0.00(3) 0.01(3) -0.01(3) O2 0.15(6) 0.17(6) 0.14(5) -0.01(5) 0.02(4) 0.01(5) O3 0.06(2) 0.06(2) 0.06(2) 0.014(17) 0.025(16) 0.001(17) N5 0.2(2) 0.2(3) 0.2(3) 0.0(2) 0.0(2) 0.0(2) O7 0.03(3) 0.03(4) 0.03(4) 0.00(2) 0.01(3) 0.00(3) O8 0.11(11) 0.11(10) 0.11(10) 0.00(7) 0.01(7) 0.00(8) O9 0.10(6) 0.10(7) 0.09(6) 0.00(5) 0.02(5) 0.00(5) N6 0.03(5) 0.04(5) 0.04(4) 0.00(4) 0.01(4) 0.00(4) O10 0.08(5) 0.08(5) 0.08(5) 0.00(4) 0.00(4) -0.01(4) O12 0.05(3) 0.05(3) 0.04(3) 0.01(3) 0.01(3) 0.00(3) N4 0.04(4) 0.04(4) 0.04(5) 0.00(3) 0.01(3) 0.00(4) O4 0.16(13) 0.16(12) 0.16(11) -0.01(9) 0.02(9) 0.00(9) O5 0.06(4) 0.06(4) 0.06(4) 0.00(3) 0.01(3) 0.00(3) O6 0.17(14) 0.17(12) 0.17(12) 0.00(10) 0.02(10) 0.00(11) O7' 0.09(9) 0.09(11) 0.09(9) 0.00(8) 0.01(7) 0.00(8) N5' 0.02(4) 0.02(4) 0.01(4) 0.00(3) 0.00(3) 0.00(3) O8' 0.06(6) 0.06(5) 0.06(5) 0.00(4) 0.01(4) 0.00(4) O9' 0.02(3) 0.02(3) 0.01(3) 0.00(2) 0.00(2) 0.00(3) N6' 0.02(6) 0.02(5) 0.02(6) 0.01(4) 0.00(5) 0.00(4) O10' 0.03(4) 0.03(4) 0.03(3) 0.00(3) 0.00(3) 0.00(3) O11' 0.05(5) 0.06(6) 0.04(5) -0.01(4) 0.01(4) -0.01(4) O4' 0.04(6) 0.05(6) 0.05(7) 0.00(5) 0.00(5) 0.00(5) N4' 0.09(12) 0.09(12) 0.09(12) 0.00(11) 0.01(9) 0.00(11) O6' 0.04(6) 0.05(6) 0.06(7) -0.01(5) 0.00(5) 0.00(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C7 2.14(5) 2_655 ? Ag1 N2 2.18(3) . ? Ag1 Ag4 2.898(5) . ? Ag1 Ag5 3.037(6) . ? Ag1 Ag6 3.058(5) . ? Ag2 C14 2.06(4) . ? Ag2 N1 2.154(18) . ? Ag2 Ag5 2.964(6) . ? Ag2 Ag3 2.973(6) . ? Ag2 Ag6 3.135(6) 1_655 ? Ag3 O12' 2.1(2) 1_655 ? Ag3 C14 2.30(4) . ? Ag3 O11 2.33(6) . ? Ag3 O9' 2.54(7) . ? Ag3 C13 2.57(5) . ? Ag4 O8' 2.18(6) . ? Ag4 O8 2.25(11) . ? Ag4 O5 2.30(5) . ? Ag4 O4' 2.41(9) . ? Ag4 O10' 2.45(5) . ? Ag4 C7 2.58(4) 2_655 ? Ag5 C7 2.33(4) 2_655 ? Ag5 O5 2.42(5) 4_676 ? Ag5 O10' 2.59(6) 4_676 ? Ag5 C14 2.59(4) . ? Ag6 O1 2.01(4) . ? Ag6 C7 2.12(4) 2_655 ? Ag6 C14 2.17(4) 1_455 ? Ag6 O7 2.44(6) 4_576 ? Ag6 C6 2.68(5) 2_655 ? Ag6 Ag2 3.135(5) 1_455 ? C1 C2 1.3900 . ? C1 N1 1.3900 . ? C1 H1 0.9300 . ? C2 C3 1.3900 . ? C2 H2 0.9300 . ? C3 C4 1.3900 . ? C3 C6 1.48(5) . ? C4 C5 1.3900 . ? C4 H4 0.9300 . ? C5 N1 1.3900 . ? C5 H5 0.9300 . ? C6 C7 1.17(6) . ? C6 Ag6 2.68(5) 2_645 ? C7 Ag6 2.12(4) 2_645 ? C7 Ag1 2.14(5) 2_645 ? C7 Ag5 2.33(4) 2_645 ? C7 Ag4 2.58(4) 2_645 ? C8 C12 1.33(5) 2_655 ? C8 C9 1.40(5) . ? C8 H8 0.9300 . ? C9 C10 1.43(5) . ? C9 C13 1.48(6) . ? C10 C11 1.34(5) 2_655 ? C10 H10 0.9300 . ? C11 C10 1.34(5) 2_645 ? C11 N2 1.37(4) . ? C11 H11 0.9300 . ? C12 N2 1.26(5) . ? C12 C8 1.33(5) 2_645 ? C12 H12 0.9300 . ? C13 C14 1.33(6) . ? C14 Ag6 2.17(4) 1_655 ? N3 O2 1.372(11) . ? N3 O1 1.376(11) . ? N3 O3 1.378(10) . ? N5 O7 1.379(11) . ? N5 O9 1.379(11) . ? N5 O8 1.380(11) . ? O7 Ag6 2.44(6) 4_675 ? N6 O10 1.376(11) . ? N6 O11 1.377(11) . ? N6 O12 1.377(11) . ? N4 O5 1.377(11) . ? N4 O6 1.378(11) . ? N4 O4 1.378(11) . ? O5 Ag5 2.42(5) 4_575 ? O7' N5' 1.379(11) . ? N5' O8' 1.377(11) . ? N5' O9' 1.380(11) . ? N6' O11' 1.377(11) . ? N6' O12' 1.378(11) . ? N6' O10' 1.379(11) . ? O10' Ag5 2.59(6) 4_575 ? O12' Ag3 2.1(2) 1_455 ? O4' N4' 1.380(11) . ? N4' O5' 1.379(11) . ? N4' O6' 1.379(11) . ? 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 C7 Ag1 N2 172.2(14) 2_655 . ? C7 Ag1 Ag4 59.5(11) 2_655 . ? N2 Ag1 Ag4 126.6(8) . . ? C7 Ag1 Ag5 49.8(11) 2_655 . ? N2 Ag1 Ag5 131.8(8) . . ? Ag4 Ag1 Ag5 85.95(15) . . ? C7 Ag1 Ag6 43.9(12) 2_655 . ? N2 Ag1 Ag6 128.4(8) . . ? Ag4 Ag1 Ag6 92.94(15) . . ? Ag5 Ag1 Ag6 74.86(13) . . ? C14 Ag2 N1 172.4(13) . . ? C14 Ag2 Ag5 58.9(10) . . ? N1 Ag2 Ag5 128.6(7) . . ? C14 Ag2 Ag3 50.4(11) . . ? N1 Ag2 Ag3 127.3(7) . . ? Ag5 Ag2 Ag3 88.18(14) . . ? C14 Ag2 Ag6 43.7(11) . 1_655 ? N1 Ag2 Ag6 131.0(7) . 1_655 ? Ag5 Ag2 Ag6 85.22(14) . 1_655 ? Ag3 Ag2 Ag6 80.39(14) . 1_655 ? O12' Ag3 C14 95(4) 1_655 . ? O12' Ag3 O11 59(4) 1_655 . ? C14 Ag3 O11 154.9(14) . . ? O12' Ag3 O9' 158(4) 1_655 . ? C14 Ag3 O9' 105.9(16) . . ? O11 Ag3 O9' 99.1(16) . . ? O12' Ag3 C13 121(4) 1_655 . ? C14 Ag3 C13 31.0(15) . . ? O11 Ag3 C13 164(2) . . ? O9' Ag3 C13 80.9(17) . . ? O12' Ag3 Ag2 68(4) 1_655 . ? C14 Ag3 Ag2 43.8(10) . . ? O11 Ag3 Ag2 117.5(14) . . ? O9' Ag3 Ag2 125.0(14) . . ? C13 Ag3 Ag2 73.8(12) . . ? O8' Ag4 O8 51(3) . . ? O8' Ag4 O5 31.2(16) . . ? O8 Ag4 O5 80(3) . . ? O8' Ag4 O4' 64(3) . . ? O8 Ag4 O4' 92(4) . . ? O5 Ag4 O4' 44(2) . . ? O8' Ag4 O10' 78.1(19) . . ? O8 Ag4 O10' 118(3) . . ? O5 Ag4 O10' 64.0(18) . . ? O4' Ag4 O10' 94(3) . . ? O8' Ag4 C7 149(2) . 2_655 ? O8 Ag4 C7 109(3) . 2_655 ? O5 Ag4 C7 142.1(14) . 2_655 ? O4' Ag4 C7 99(2) . 2_655 ? O10' Ag4 C7 130.3(16) . 2_655 ? O8' Ag4 Ag1 164.1(19) . . ? O8 Ag4 Ag1 130(3) . . ? O5 Ag4 Ag1 148.7(14) . . ? O4' Ag4 Ag1 128(2) . . ? O10' Ag4 Ag1 90.3(13) . . ? C7 Ag4 Ag1 45.5(10) 2_655 . ? C7 Ag5 O5 134.9(15) 2_655 4_676 ? C7 Ag5 O10' 127.7(15) 2_655 4_676 ? O5 Ag5 O10' 60.3(16) 4_676 4_676 ? C7 Ag5 C14 123.5(14) 2_655 . ? O5 Ag5 C14 94.7(14) 4_676 . ? O10' Ag5 C14 96.8(14) 4_676 . ? C7 Ag5 Ag2 118.3(11) 2_655 . ? O5 Ag5 Ag2 72.2(12) 4_676 . ? O10' Ag5 Ag2 113.9(10) 4_676 . ? C14 Ag5 Ag2 43.0(9) . . ? C7 Ag5 Ag1 44.6(12) 2_655 . ? O5 Ag5 Ag1 101.3(11) 4_676 . ? O10' Ag5 Ag1 146.3(12) 4_676 . ? C14 Ag5 Ag1 113.7(9) . . ? Ag2 Ag5 Ag1 82.40(14) . . ? O1 Ag6 C7 120.7(19) . 2_655 ? O1 Ag6 C14 125.8(16) . 1_455 ? C7 Ag6 C14 109.1(15) 2_655 1_455 ? O1 Ag6 O7 83(2) . 4_576 ? C7 Ag6 O7 108(2) 2_655 4_576 ? C14 Ag6 O7 102(2) 1_455 4_576 ? O1 Ag6 C6 113.2(17) . 2_655 ? C7 Ag6 C6 25.0(15) 2_655 2_655 ? C14 Ag6 C6 102.6(14) 1_455 2_655 ? O7 Ag6 C6 132.2(18) 4_576 2_655 ? O1 Ag6 Ag1 127.5(12) . . ? C7 Ag6 Ag1 44.4(13) 2_655 . ? C14 Ag6 Ag1 102.3(10) 1_455 . ? O7 Ag6 Ag1 66.3(15) 4_576 . ? C6 Ag6 Ag1 69.0(10) 2_655 . ? O1 Ag6 Ag2 123.9(14) . 1_455 ? C7 Ag6 Ag2 111.4(12) 2_655 1_455 ? C14 Ag6 Ag2 41.0(11) 1_455 1_455 ? O7 Ag6 Ag2 62.4(19) 4_576 1_455 ? C6 Ag6 Ag2 122.9(9) 2_655 1_455 ? Ag1 Ag6 Ag2 78.25(14) . 1_455 ? C2 C1 N1 120.0 . . ? C2 C1 H1 120.0 . . ? N1 C1 H1 120.0 . . ? C3 C2 C1 120.0 . . ? C3 C2 H2 120.0 . . ? C1 C2 H2 120.0 . . ? C4 C3 C2 120.0 . . ? C4 C3 C6 116(3) . . ? C2 C3 C6 123(2) . . ? C3 C4 C5 120.0 . . ? C3 C4 H4 120.0 . . ? C5 C4 H4 120.0 . . ? C4 C5 N1 120.0 . . ? C4 C5 H5 120.0 . . ? N1 C5 H5 120.0 . . ? C5 N1 C1 120.0 . . ? C5 N1 Ag2 119.3(13) . . ? C1 N1 Ag2 120.3(13) . . ? C7 C6 C3 174(5) . . ? C7 C6 Ag6 50(3) . 2_645 ? C3 C6 Ag6 125(3) . 2_645 ? C6 C7 Ag6 105(4) . 2_645 ? C6 C7 Ag1 159(4) . 2_645 ? Ag6 C7 Ag1 91.7(18) 2_645 2_645 ? C6 C7 Ag5 99(3) . 2_645 ? Ag6 C7 Ag5 112.7(18) 2_645 2_645 ? Ag1 C7 Ag5 85.6(15) 2_645 2_645 ? C6 C7 Ag4 84(3) . 2_645 ? Ag6 C7 Ag4 133(2) 2_645 2_645 ? Ag1 C7 Ag4 75.0(13) 2_645 2_645 ? Ag5 C7 Ag4 110.9(17) 2_645 2_645 ? C12 C8 C9 113(3) 2_655 . ? C12 C8 H8 123.3 2_655 . ? C9 C8 H8 123.3 . . ? C8 C9 C10 120(4) . . ? C8 C9 C13 126(4) . . ? C10 C9 C13 113(4) . . ? C11 C10 C9 117(4) 2_655 . ? C11 C10 H10 121.5 2_655 . ? C9 C10 H10 121.5 . . ? C10 C11 N2 123(3) 2_645 . ? C10 C11 H11 118.7 2_645 . ? N2 C11 H11 118.7 . . ? N2 C12 C8 131(4) . 2_645 ? N2 C12 H12 114.3 . . ? C8 C12 H12 114.3 2_645 . ? C14 C13 C9 170(5) . . ? C14 C13 Ag3 63(3) . . ? C9 C13 Ag3 127(3) . . ? C13 C14 Ag2 160(4) . . ? C13 C14 Ag6 104(3) . 1_655 ? Ag2 C14 Ag6 95.4(16) . 1_655 ? C13 C14 Ag3 86(3) . . ? Ag2 C14 Ag3 85.8(14) . . ? Ag6 C14 Ag3 123.8(17) 1_655 . ? C13 C14 Ag5 89(3) . . ? Ag2 C14 Ag5 78.2(12) . . ? Ag6 C14 Ag5 119.9(16) 1_655 . ? Ag3 C14 Ag5 115.3(16) . . ? C12 N2 C11 116(3) . . ? C12 N2 Ag1 125(3) . . ? C11 N2 Ag1 119(2) . . ? O2 N3 O1 118.3(13) . . ? O2 N3 O3 117.9(12) . . ? O1 N3 O3 117.7(13) . . ? N3 O1 Ag6 126(3) . . ? O7 N5 O9 120.0(8) . . ? O7 N5 O8 120.0(8) . . ? O9 N5 O8 120.0(8) . . ? N5 O7 Ag6 132(6) . 4_675 ? N5 O8 Ag4 134(10) . . ? O10 N6 O11 120.1(8) . . ? O10 N6 O12 120.0(8) . . ? O11 N6 O12 120.0(8) . . ? N6 O11 Ag3 101(2) . . ? O5 N4 O6 120.0(8) . . ? O5 N4 O4 120.0(8) . . ? O6 N4 O4 120.0(8) . . ? N4 O5 Ag4 108(3) . . ? N4 O5 Ag5 101(3) . 4_575 ? Ag4 O5 Ag5 124(2) . 4_575 ? O8' N5' O7' 120.1(8) . . ? O8' N5' O9' 120.0(8) . . ? O7' N5' O9' 119.9(8) . . ? N5' O8' Ag4 105(3) . . ? N5' O9' Ag3 121(5) . . ? O11' N6' O12' 120.1(8) . . ? O11' N6' O10' 119.9(8) . . ? O12' N6' O10' 120.0(8) . . ? N6' O10' Ag4 106(3) . . ? N6' O10' Ag5 106(5) . 4_575 ? Ag4 O10' Ag5 112(2) . 4_575 ? N6' O12' Ag3 124(10) . 1_455 ? N4' O4' Ag4 146(6) . . ? O5' N4' O6' 120.0(8) . . ? O5' N4' O4' 120.0(8) . . ? O6' N4' O4' 120.0(8) . . ? 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 C14 Ag2 Ag3 O12' 125(3) . . . 1_655 ? N1 Ag2 Ag3 O12' -45(3) . . . 1_655 ? Ag5 Ag2 Ag3 O12' 175(3) . . . 1_655 ? Ag6 Ag2 Ag3 O12' 90(3) 1_655 . . 1_655 ? N1 Ag2 Ag3 C14 -170.7(17) . . . . ? Ag5 Ag2 Ag3 C14 49.8(14) . . . . ? Ag6 Ag2 Ag3 C14 -35.7(14) 1_655 . . . ? C14 Ag2 Ag3 O11 159(3) . . . . ? N1 Ag2 Ag3 O11 -12(2) . . . . ? Ag5 Ag2 Ag3 O11 -151(2) . . . . ? Ag6 Ag2 Ag3 O11 123(2) 1_655 . . . ? C14 Ag2 Ag3 O9' -76(2) . . . . ? N1 Ag2 Ag3 O9' 113.7(17) . . . . ? Ag5 Ag2 Ag3 O9' -25.8(15) . . . . ? Ag6 Ag2 Ag3 O9' -111.3(15) 1_655 . . . ? C14 Ag2 Ag3 C13 -9.5(19) . . . . ? N1 Ag2 Ag3 C13 179.7(15) . . . . ? Ag5 Ag2 Ag3 C13 40.2(12) . . . . ? Ag6 Ag2 Ag3 C13 -45.2(12) 1_655 . . . ? C7 Ag1 Ag4 O8' 163(4) 2_655 . . . ? N2 Ag1 Ag4 O8' -23(4) . . . . ? Ag5 Ag1 Ag4 O8' 118(4) . . . . ? Ag6 Ag1 Ag4 O8' -167(4) . . . . ? C7 Ag1 Ag4 O8 78(3) 2_655 . . . ? N2 Ag1 Ag4 O8 -108(3) . . . . ? Ag5 Ag1 Ag4 O8 33(3) . . . . ? Ag6 Ag1 Ag4 O8 107(3) . . . . ? C7 Ag1 Ag4 O5 -121(2) 2_655 . . . ? N2 Ag1 Ag4 O5 53(2) . . . . ? Ag5 Ag1 Ag4 O5 -166(2) . . . . ? Ag6 Ag1 Ag4 O5 -91(2) . . . . ? C7 Ag1 Ag4 O4' -59(3) 2_655 . . . ? N2 Ag1 Ag4 O4' 115(3) . . . . ? Ag5 Ag1 Ag4 O4' -104(3) . . . . ? Ag6 Ag1 Ag4 O4' -29(3) . . . . ? C7 Ag1 Ag4 O10' -154.2(18) 2_655 . . . ? N2 Ag1 Ag4 O10' 19.8(16) . . . . ? Ag5 Ag1 Ag4 O10' 160.9(12) . . . . ? Ag6 Ag1 Ag4 O10' -124.5(12) . . . . ? N2 Ag1 Ag4 C7 174.0(17) . . . 2_655 ? Ag5 Ag1 Ag4 C7 -44.8(13) . . . 2_655 ? Ag6 Ag1 Ag4 C7 29.7(13) . . . 2_655 ? C14 Ag2 Ag5 C7 110.0(18) . . . 2_655 ? N1 Ag2 Ag5 C7 -72.0(15) . . . 2_655 ? Ag3 Ag2 Ag5 C7 66.6(13) . . . 2_655 ? Ag6 Ag2 Ag5 C7 147.1(13) 1_655 . . 2_655 ? C14 Ag2 Ag5 O5 -118.0(17) . . . 4_676 ? N1 Ag2 Ag5 O5 60.0(14) . . . 4_676 ? Ag3 Ag2 Ag5 O5 -161.5(11) . . . 4_676 ? Ag6 Ag2 Ag5 O5 -80.9(11) 1_655 . . 4_676 ? C14 Ag2 Ag5 O10' -73.4(19) . . . 4_676 ? N1 Ag2 Ag5 O10' 104.6(16) . . . 4_676 ? Ag3 Ag2 Ag5 O10' -116.8(13) . . . 4_676 ? Ag6 Ag2 Ag5 O10' -36.3(13) 1_655 . . 4_676 ? N1 Ag2 Ag5 C14 178.0(16) . . . . ? Ag3 Ag2 Ag5 C14 -43.4(13) . . . . ? Ag6 Ag2 Ag5 C14 37.1(13) 1_655 . . . ? C14 Ag2 Ag5 Ag1 137.5(13) . . . . ? N1 Ag2 Ag5 Ag1 -44.5(8) . . . . ? Ag3 Ag2 Ag5 Ag1 94.07(14) . . . . ? Ag6 Ag2 Ag5 Ag1 174.58(14) 1_655 . . . ? N2 Ag1 Ag5 C7 -169.9(18) . . . 2_655 ? Ag4 Ag1 Ag5 C7 52.6(15) . . . 2_655 ? Ag6 Ag1 Ag5 C7 -41.5(15) . . . 2_655 ? C7 Ag1 Ag5 O5 145.3(19) 2_655 . . 4_676 ? N2 Ag1 Ag5 O5 -24.6(16) . . . 4_676 ? Ag4 Ag1 Ag5 O5 -162.1(12) . . . 4_676 ? Ag6 Ag1 Ag5 O5 103.8(12) . . . 4_676 ? C7 Ag1 Ag5 O10' 93(2) 2_655 . . 4_676 ? N2 Ag1 Ag5 O10' -77(2) . . . 4_676 ? Ag4 Ag1 Ag5 O10' 145.6(19) . . . 4_676 ? Ag6 Ag1 Ag5 O10' 51.5(19) . . . 4_676 ? C7 Ag1 Ag5 C14 -114.4(18) 2_655 . . . ? N2 Ag1 Ag5 C14 75.7(14) . . . . ? Ag4 Ag1 Ag5 C14 -61.8(10) . . . . ? Ag6 Ag1 Ag5 C14 -155.9(10) . . . . ? C7 Ag1 Ag5 Ag2 -144.6(15) 2_655 . . . ? N2 Ag1 Ag5 Ag2 45.5(10) . . . . ? Ag4 Ag1 Ag5 Ag2 -92.00(15) . . . . ? Ag6 Ag1 Ag5 Ag2 173.85(15) . . . . ? C7 Ag1 Ag6 O1 -98(2) 2_655 . . . ? N2 Ag1 Ag6 O1 80.9(19) . . . . ? Ag4 Ag1 Ag6 O1 -135.8(17) . . . . ? Ag5 Ag1 Ag6 O1 -50.8(17) . . . . ? N2 Ag1 Ag6 C7 178.7(19) . . . 2_655 ? Ag4 Ag1 Ag6 C7 -38.1(16) . . . 2_655 ? Ag5 Ag1 Ag6 C7 46.9(16) . . . 2_655 ? C7 Ag1 Ag6 C14 104.8(19) 2_655 . . 1_455 ? N2 Ag1 Ag6 C14 -76.5(14) . . . 1_455 ? Ag4 Ag1 Ag6 C14 66.8(11) . . . 1_455 ? Ag5 Ag1 Ag6 C14 151.8(11) . . . 1_455 ? C7 Ag1 Ag6 O7 -157(3) 2_655 . . 4_576 ? N2 Ag1 Ag6 O7 22(2) . . . 4_576 ? Ag4 Ag1 Ag6 O7 165(2) . . . 4_576 ? Ag5 Ag1 Ag6 O7 -110(2) . . . 4_576 ? C7 Ag1 Ag6 C6 5.9(19) 2_655 . . 2_655 ? N2 Ag1 Ag6 C6 -175.4(14) . . . 2_655 ? Ag4 Ag1 Ag6 C6 -32.2(10) . . . 2_655 ? Ag5 Ag1 Ag6 C6 52.8(10) . . . 2_655 ? C7 Ag1 Ag6 Ag2 138.3(16) 2_655 . . 1_455 ? N2 Ag1 Ag6 Ag2 -43.1(10) . . . 1_455 ? Ag4 Ag1 Ag6 Ag2 100.18(16) . . . 1_455 ? Ag5 Ag1 Ag6 Ag2 -174.82(15) . . . 1_455 ? N1 C1 C2 C3 0.0 . . . . ? C1 C2 C3 C4 0.0 . . . . ? C1 C2 C3 C6 170(3) . . . . ? C2 C3 C4 C5 0.0 . . . . ? C6 C3 C4 C5 -171(3) . . . . ? C3 C4 C5 N1 0.0 . . . . ? C4 C5 N1 C1 0.0 . . . . ? C4 C5 N1 Ag2 -173.3(17) . . . . ? C2 C1 N1 C5 0.0 . . . . ? C2 C1 N1 Ag2 173.3(17) . . . . ? C14 Ag2 N1 C5 -63(10) . . . . ? Ag5 Ag2 N1 C5 129.6(14) . . . . ? Ag3 Ag2 N1 C5 5.8(18) . . . . ? Ag6 Ag2 N1 C5 -106.8(15) 1_655 . . . ? C14 Ag2 N1 C1 124(10) . . . . ? Ag5 Ag2 N1 C1 -43.7(17) . . . . ? Ag3 Ag2 N1 C1 -167.5(13) . . . . ? Ag6 Ag2 N1 C1 79.9(16) 1_655 . . . ? C4 C3 C6 C7 -1(43) . . . . ? C2 C3 C6 C7 -172(41) . . . . ? C4 C3 C6 Ag6 32(4) . . . 2_645 ? C2 C3 C6 Ag6 -139(2) . . . 2_645 ? C3 C6 C7 Ag6 36(43) . . . 2_645 ? C3 C6 C7 Ag1 177(34) . . . 2_645 ? Ag6 C6 C7 Ag1 141(12) 2_645 . . 2_645 ? C3 C6 C7 Ag5 -81(42) . . . 2_645 ? Ag6 C6 C7 Ag5 -117(3) 2_645 . . 2_645 ? C3 C6 C7 Ag4 169(42) . . . 2_645 ? Ag6 C6 C7 Ag4 133(2) 2_645 . . 2_645 ? C12 C8 C9 C10 5(5) 2_655 . . . ? C12 C8 C9 C13 174(4) 2_655 . . . ? C8 C9 C10 C11 -3(6) . . . 2_655 ? C13 C9 C10 C11 -173(4) . . . 2_655 ? C8 C9 C13 C14 -10(30) . . . . ? C10 C9 C13 C14 159(26) . . . . ? C8 C9 C13 Ag3 169(3) . . . . ? C10 C9 C13 Ag3 -22(6) . . . . ? O12' Ag3 C13 C14 -37(4) 1_655 . . . ? O11 Ag3 C13 C14 -125(6) . . . . ? O9' Ag3 C13 C14 144(3) . . . . ? Ag2 Ag3 C13 C14 13(3) . . . . ? O12' Ag3 C13 C9 143(5) 1_655 . . . ? C14 Ag3 C13 C9 -180(6) . . . . ? O11 Ag3 C13 C9 55(8) . . . . ? O9' Ag3 C13 C9 -36(4) . . . . ? Ag2 Ag3 C13 C9 -167(4) . . . . ? C9 C13 C14 Ag2 114(26) . . . . ? Ag3 C13 C14 Ag2 -65(10) . . . . ? C9 C13 C14 Ag6 -57(28) . . . 1_655 ? Ag3 C13 C14 Ag6 124(2) . . . 1_655 ? C9 C13 C14 Ag3 179(27) . . . . ? C9 C13 C14 Ag5 64(27) . . . . ? Ag3 C13 C14 Ag5 -115.4(15) . . . . ? N1 Ag2 C14 C13 140(10) . . . . ? Ag5 Ag2 C14 C13 -51(10) . . . . ? Ag3 Ag2 C14 C13 65(10) . . . . ? Ag6 Ag2 C14 C13 -171(11) 1_655 . . . ? N1 Ag2 C14 Ag6 -49(10) . . . 1_655 ? Ag5 Ag2 C14 Ag6 119.5(15) . . . 1_655 ? Ag3 Ag2 C14 Ag6 -123.6(17) . . . 1_655 ? N1 Ag2 C14 Ag3 75(10) . . . . ? Ag5 Ag2 C14 Ag3 -116.9(14) . . . . ? Ag6 Ag2 C14 Ag3 123.6(17) 1_655 . . . ? N1 Ag2 C14 Ag5 -168(9) . . . . ? Ag3 Ag2 C14 Ag5 116.9(14) . . . . ? Ag6 Ag2 C14 Ag5 -119.5(15) 1_655 . . . ? O12' Ag3 C14 C13 149(4) 1_655 . . . ? O11 Ag3 C14 C13 149(6) . . . . ? O9' Ag3 C14 C13 -38(3) . . . . ? Ag2 Ag3 C14 C13 -162(4) . . . . ? O12' Ag3 C14 Ag2 -49(3) 1_655 . . . ? O11 Ag3 C14 Ag2 -49(6) . . . . ? O9' Ag3 C14 Ag2 124.5(17) . . . . ? C13 Ag3 C14 Ag2 162(4) . . . . ? O12' Ag3 C14 Ag6 44(3) 1_655 . . 1_655 ? O11 Ag3 C14 Ag6 45(6) . . . 1_655 ? O9' Ag3 C14 Ag6 -142(2) . . . 1_655 ? C13 Ag3 C14 Ag6 -104(4) . . . 1_655 ? Ag2 Ag3 C14 Ag6 94(2) . . . 1_655 ? O12' Ag3 C14 Ag5 -124(3) 1_655 . . . ? O11 Ag3 C14 Ag5 -124(5) . . . . ? O9' Ag3 C14 Ag5 50(2) . . . . ? C13 Ag3 C14 Ag5 87(3) . . . . ? Ag2 Ag3 C14 Ag5 -74.8(16) . . . . ? C7 Ag5 C14 C13 68(3) 2_655 . . . ? O5 Ag5 C14 C13 -138(3) 4_676 . . . ? O10' Ag5 C14 C13 -77(3) 4_676 . . . ? Ag2 Ag5 C14 C13 165(4) . . . . ? Ag1 Ag5 C14 C13 118(3) . . . . ? C7 Ag5 C14 Ag2 -97.1(18) 2_655 . . . ? O5 Ag5 C14 Ag2 57.5(15) 4_676 . . . ? O10' Ag5 C14 Ag2 118.1(15) 4_676 . . . ? Ag1 Ag5 C14 Ag2 -47.0(13) . . . . ? C7 Ag5 C14 Ag6 173.5(19) 2_655 . . 1_655 ? O5 Ag5 C14 Ag6 -32(2) 4_676 . . 1_655 ? O10' Ag5 C14 Ag6 29(2) 4_676 . . 1_655 ? Ag2 Ag5 C14 Ag6 -89(2) . . . 1_655 ? Ag1 Ag5 C14 Ag6 -136.4(15) . . . 1_655 ? C7 Ag5 C14 Ag3 -18(2) 2_655 . . . ? O5 Ag5 C14 Ag3 137.1(19) 4_676 . . . ? O10' Ag5 C14 Ag3 -162.4(18) 4_676 . . . ? Ag2 Ag5 C14 Ag3 79.6(16) . . . . ? Ag1 Ag5 C14 Ag3 32.6(19) . . . . ? C8 C12 N2 C11 0(6) 2_645 . . . ? C8 C12 N2 Ag1 180(4) 2_645 . . . ? C10 C11 N2 C12 3(5) 2_645 . . . ? C10 C11 N2 Ag1 -177(3) 2_645 . . . ? C7 Ag1 N2 C12 153(10) 2_655 . . . ? Ag4 Ag1 N2 C12 14(4) . . . . ? Ag5 Ag1 N2 C12 -109(3) . . . . ? Ag6 Ag1 N2 C12 146(3) . . . . ? C7 Ag1 N2 C11 -27(11) 2_655 . . . ? Ag4 Ag1 N2 C11 -166(2) . . . . ? Ag5 Ag1 N2 C11 71(3) . . . . ? Ag6 Ag1 N2 C11 -34(3) . . . . ? O2 N3 O1 Ag6 -53(6) . . . . ? O3 N3 O1 Ag6 155(3) . . . . ? C7 Ag6 O1 N3 114(4) 2_655 . . . ? C14 Ag6 O1 N3 -40(4) 1_455 . . . ? O7 Ag6 O1 N3 -140(4) 4_576 . . . ? C6 Ag6 O1 N3 87(4) 2_655 . . . ? Ag1 Ag6 O1 N3 167(3) . . . . ? Ag2 Ag6 O1 N3 -91(4) 1_455 . . . ? O9 N5 O7 Ag6 -161(12) . . . 4_675 ? O8 N5 O7 Ag6 19(35) . . . 4_675 ? O7 N5 O8 Ag4 -88(25) . . . . ? O9 N5 O8 Ag4 92(22) . . . . ? O8' Ag4 O8 N5 15(5) . . . . ? O5 Ag4 O8 N5 4(5) . . . . ? O4' Ag4 O8 N5 -39(6) . . . . ? O10' Ag4 O8 N5 57(7) . . . . ? C7 Ag4 O8 N5 -139(5) 2_655 . . . ? Ag1 Ag4 O8 N5 174(4) . . . . ? O10 N6 O11 Ag3 171(7) . . . . ? O12 N6 O11 Ag3 -10(9) . . . . ? O12' Ag3 O11 N6 5(5) 1_655 . . . ? C14 Ag3 O11 N6 5(9) . . . . ? O9' Ag3 O11 N6 -169(5) . . . . ? C13 Ag3 O11 N6 103(7) . . . . ? Ag2 Ag3 O11 N6 -31(6) . . . . ? O6 N4 O5 Ag4 -159(6) . . . . ? O4 N4 O5 Ag4 20(6) . . . . ? O6 N4 O5 Ag5 -27(6) . . . 4_575 ? O4 N4 O5 Ag5 152(6) . . . 4_575 ? O8' Ag4 O5 N4 -135(6) . . . . ? O8 Ag4 O5 N4 -119(4) . . . . ? O4' Ag4 O5 N4 -15(5) . . . . ? O10' Ag4 O5 N4 113(4) . . . . ? C7 Ag4 O5 N4 -10(5) 2_655 . . . ? Ag1 Ag4 O5 N4 76(4) . . . . ? O8' Ag4 O5 Ag5 107(5) . . . 4_575 ? O8 Ag4 O5 Ag5 124(3) . . . 4_575 ? O4' Ag4 O5 Ag5 -133(5) . . . 4_575 ? O10' Ag4 O5 Ag5 -4(2) . . . 4_575 ? C7 Ag4 O5 Ag5 -127(2) 2_655 . . 4_575 ? Ag1 Ag4 O5 Ag5 -42(3) . . . 4_575 ? O7' N5' O8' Ag4 170(9) . . . . ? O9' N5' O8' Ag4 -10(9) . . . . ? O8 Ag4 O8' N5' 2(5) . . . . ? O5 Ag4 O8' N5' 160(8) . . . . ? O4' Ag4 O8' N5' 119(6) . . . . ? O10' Ag4 O8' N5' -141(5) . . . . ? C7 Ag4 O8' N5' 59(7) 2_655 . . . ? Ag1 Ag4 O8' N5' -97(6) . . . . ? O8' N5' O9' Ag3 99(7) . . . . ? O7' N5' O9' Ag3 -81(11) . . . . ? O12' Ag3 O9' N5' 3(10) 1_655 . . . ? C14 Ag3 O9' N5' -160(3) . . . . ? O11 Ag3 O9' N5' 17(4) . . . . ? C13 Ag3 O9' N5' -179(4) . . . . ? Ag2 Ag3 O9' N5' -116(3) . . . . ? O11' N6' O10' Ag4 -178(8) . . . . ? O12' N6' O10' Ag4 3(17) . . . . ? O11' N6' O10' Ag5 64(10) . . . 4_575 ? O12' N6' O10' Ag5 -116(16) . . . 4_575 ? O8' Ag4 O10' N6' -141(6) . . . . ? O8 Ag4 O10' N6' -173(6) . . . . ? O5 Ag4 O10' N6' -111(6) . . . . ? O4' Ag4 O10' N6' -78(6) . . . . ? C7 Ag4 O10' N6' 26(6) 2_655 . . . ? Ag1 Ag4 O10' N6' 50(5) . . . . ? O8' Ag4 O10' Ag5 -26(2) . . . 4_575 ? O8 Ag4 O10' Ag5 -58(4) . . . 4_575 ? O5 Ag4 O10' Ag5 3.6(16) . . . 4_575 ? O4' Ag4 O10' Ag5 37(3) . . . 4_575 ? C7 Ag4 O10' Ag5 141.1(16) 2_655 . . 4_575 ? Ag1 Ag4 O10' Ag5 165.1(16) . . . 4_575 ? O11' N6' O12' Ag3 -88(13) . . . 1_455 ? O10' N6' O12' Ag3 91(11) . . . 1_455 ? O8' Ag4 O4' N4' 23(15) . . . . ? O8 Ag4 O4' N4' 67(16) . . . . ? O5 Ag4 O4' N4' -7(14) . . . . ? O10' Ag4 O4' N4' -52(16) . . . . ? C7 Ag4 O4' N4' 176(16) 2_655 . . . ? Ag1 Ag4 O4' N4' -145(15) . . . . ? Ag4 O4' N4' O5' -148(25) . . . . ? Ag4 O4' N4' O6' 32(25) . . . . ? _diffrn_measured_fraction_theta_max 0.975 _diffrn_reflns_theta_full 22.50 _diffrn_measured_fraction_theta_full 0.975 _refine_diff_density_max 1.809 _refine_diff_density_min -1.655 _refine_diff_density_rms 0.379 #===END data_Compound-4 _database_code_depnum_ccdc_archive 'CCDC 707144' #TrackingRef 'si-1-2-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common 5-Pyrimidylethynide-CF3CO2Ag _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C12 H9 Ag4 F9 N2 O9' _chemical_formula_weight 927.69 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbca loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'x, -y-1/2, z-1/2' '-x-1/2, y-1/2, z' _cell_length_a 15.5338(4) _cell_length_b 16.0601(5) _cell_length_c 17.2227(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 4296.6(2) _cell_formula_units_Z 8 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description plate _exptl_crystal_colour colorless _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.868 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3488 _exptl_absorpt_coefficient_mu 3.720 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6638 _exptl_absorpt_correction_T_max 0.9293 _exptl_absorpt_process_details SADABS,Sheldrick,1997 _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 'Bruker Smart Apex II CCD' _diffrn_measurement_method '\f and \w' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 39346 _diffrn_reflns_av_R_equivalents 0.1082 _diffrn_reflns_av_sigmaI/netI 0.0616 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 2.17 _diffrn_reflns_theta_max 27.50 _reflns_number_total 4910 _reflns_number_gt 3573 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0445P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4910 _refine_ls_number_parameters 417 _refine_ls_number_restraints 28 _refine_ls_R_factor_all 0.0548 _refine_ls_R_factor_gt 0.0395 _refine_ls_wR_factor_ref 0.0892 _refine_ls_wR_factor_gt 0.0855 _refine_ls_goodness_of_fit_ref 0.945 _refine_ls_restrained_S_all 0.962 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.71893(3) 0.29700(3) 0.98184(2) 0.03235(12) Uani 1 1 d . . . Ag2 Ag 0.75869(3) 0.45332(3) 0.90260(3) 0.03633(13) Uani 1 1 d . . . Ag3 Ag 0.68826(2) 0.31570(3) 0.81691(3) 0.03487(12) Uani 1 1 d . . . Ag4 Ag 0.80979(3) 0.17569(2) 0.85841(3) 0.03862(14) Uani 1 1 d . . . C1 C 0.4817(3) 0.2023(3) 1.1290(3) 0.0273(11) Uani 1 1 d . . . C2 C 0.5259(3) 0.1889(3) 1.1966(3) 0.0279(11) Uani 1 1 d . . . H2 H 0.4960 0.1691 1.2395 0.033 Uiso 1 1 calc R . . C3 C 0.6501(3) 0.2313(3) 1.1405(3) 0.0302(12) Uani 1 1 d . . . H3 H 0.7088 0.2416 1.1446 0.036 Uiso 1 1 calc R . . C4 C 0.5299(3) 0.2325(3) 1.0654(3) 0.0297(12) Uani 1 1 d . . . H4 H 0.5022 0.2429 1.0185 0.036 Uiso 1 1 calc R . . C5 C 0.3894(3) 0.1882(3) 1.1221(3) 0.0231(10) Uani 1 1 d . . . C6 C 0.3138(3) 0.1706(3) 1.1207(3) 0.0284(11) Uani 1 1 d . . . C7 C 0.5724(3) 0.4926(3) 0.8650(4) 0.0383(14) Uani 1 1 d D . . C9 C 0.6139(3) 0.1291(3) 0.8793(3) 0.0317(12) Uani 1 1 d D . . C11 C 0.7592(3) 0.4628(3) 1.0859(3) 0.0318(12) Uani 1 1 d . . . C12 C 0.7697(4) 0.5072(4) 1.1647(4) 0.0453(15) Uani 1 1 d . . . C8 C 0.4895(6) 0.5438(7) 0.8844(7) 0.056(5) Uani 0.55 1 d PD A 1 F1 F 0.4218(5) 0.4934(6) 0.8809(9) 0.116(5) Uani 0.55 1 d PD A 1 F2 F 0.4776(18) 0.6031(10) 0.8301(8) 0.102(6) Uani 0.55 1 d PD A 1 F3 F 0.4924(8) 0.5809(7) 0.9536(6) 0.103(4) Uani 0.55 1 d PD A 1 C10 C 0.5424(7) 0.0710(7) 0.9099(7) 0.050(5) Uani 0.54 1 d PD B 1 F4 F 0.5431(7) 0.0015(6) 0.8660(8) 0.086(5) Uani 0.54 1 d PD B 1 F5 F 0.5598(6) 0.0571(9) 0.9841(6) 0.117(4) Uani 0.54 1 d PD B 1 F6 F 0.4620(8) 0.1000(8) 0.9022(9) 0.083(6) Uani 0.54 1 d PD B 1 C8' C 0.4863(7) 0.5390(9) 0.8462(9) 0.056(6) Uani 0.45 1 d PD A 2 F1' F 0.4511(13) 0.5501(16) 0.9163(9) 0.171(10) Uani 0.45 1 d PD A 2 F2' F 0.4338(9) 0.4950(9) 0.8010(10) 0.144(7) Uani 0.45 1 d PD A 2 F3' F 0.501(2) 0.6127(14) 0.8134(15) 0.122(11) Uani 0.45 1 d PD A 2 C10' C 0.5373(8) 0.0685(8) 0.8847(8) 0.057(6) Uani 0.46 1 d PD B 2 F4' F 0.5070(12) 0.0532(15) 0.8141(7) 0.218(11) Uani 0.46 1 d PD B 2 F5' F 0.5560(10) -0.0035(9) 0.9205(11) 0.106(8) Uani 0.46 1 d PD B 2 F6' F 0.4779(9) 0.1056(10) 0.9290(10) 0.075(5) Uani 0.46 1 d PD B 2 F7 F 0.7378(3) 0.4629(3) 1.2230(2) 0.0905(15) Uani 1 1 d . . . F8 F 0.8502(3) 0.5206(3) 1.1800(3) 0.1039(19) Uani 1 1 d . . . F9 F 0.7295(2) 0.5803(2) 1.1677(2) 0.0546(9) Uani 1 1 d . . . N1 N 0.6137(2) 0.2464(3) 1.0713(3) 0.0306(10) Uani 1 1 d . . . N2 N 0.6109(2) 0.2033(3) 1.2034(3) 0.0287(10) Uani 1 1 d . . . O1 O 0.5661(2) 0.4167(2) 0.8571(3) 0.0489(11) Uani 1 1 d . A . O2 O 0.6379(2) 0.5354(2) 0.8713(2) 0.0378(9) Uani 1 1 d . . . O3 O 0.5940(2) 0.2030(2) 0.8751(3) 0.0493(11) Uani 1 1 d . B . O4 O 0.6852(2) 0.0953(2) 0.8721(3) 0.0393(10) Uani 1 1 d . . . O5 O 0.7493(3) 0.5085(2) 1.0291(2) 0.0475(11) Uani 1 1 d . . . O6 O 0.7643(2) 0.3854(2) 1.0901(2) 0.0402(10) Uani 1 1 d . . . O2W O 0.8303(3) 0.2061(3) 0.7184(3) 0.0542(13) Uani 1 1 d . . . O1W O 0.8080(3) 0.1733(3) 1.0142(3) 0.0431(11) Uani 1 1 d . . . O3W O 0.4438(3) 0.2963(3) 0.8823(3) 0.0416(11) Uani 1 1 d . . . H2WA H 0.809(4) 0.168(4) 0.694(4) 0.050 Uiso 1 1 d . . . H3WA H 0.478(4) 0.258(4) 0.875(4) 0.050 Uiso 1 1 d . . . H3WB H 0.468(4) 0.341(4) 0.874(4) 0.050 Uiso 1 1 d . . . H1WB H 0.853(4) 0.183(4) 1.038(4) 0.050 Uiso 1 1 d . . . H1WA H 0.792(4) 0.127(4) 1.028(4) 0.050 Uiso 1 1 d . . . H2WB H 0.873(4) 0.224(4) 0.694(4) 0.050 Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0378(2) 0.0335(2) 0.0258(2) 0.00341(18) 0.00643(17) -0.00234(17) Ag2 0.0433(2) 0.0218(2) 0.0440(3) -0.00194(18) 0.00084(19) 0.00369(17) Ag3 0.0317(2) 0.0388(2) 0.0342(3) -0.00085(19) -0.01207(18) -0.00330(17) Ag4 0.0362(2) 0.0230(2) 0.0566(3) 0.0002(2) 0.0049(2) -0.00206(16) C1 0.026(2) 0.025(3) 0.031(3) -0.001(2) 0.002(2) 0.001(2) C2 0.025(2) 0.033(3) 0.025(3) 0.001(2) 0.004(2) -0.001(2) C3 0.023(2) 0.035(3) 0.033(3) 0.007(2) 0.000(2) -0.001(2) C4 0.035(3) 0.029(3) 0.025(3) 0.002(2) -0.007(2) -0.001(2) C5 0.025(2) 0.020(2) 0.024(3) 0.002(2) -0.001(2) 0.0002(18) C6 0.031(3) 0.020(2) 0.035(3) -0.002(2) -0.004(2) -0.003(2) C7 0.033(3) 0.028(3) 0.054(4) -0.004(3) 0.002(3) 0.003(2) C9 0.034(3) 0.029(3) 0.032(3) 0.004(2) 0.000(2) -0.002(2) C11 0.032(3) 0.031(3) 0.032(3) -0.004(3) -0.004(2) -0.001(2) C12 0.061(4) 0.038(3) 0.037(4) -0.010(3) -0.007(3) 0.001(3) C8 0.050(9) 0.054(10) 0.064(14) -0.013(9) 0.016(8) -0.008(7) F1 0.026(4) 0.080(7) 0.241(16) -0.054(10) 0.023(7) -0.005(4) F2 0.084(15) 0.060(10) 0.163(16) 0.006(9) -0.030(10) 0.032(6) F3 0.122(10) 0.075(7) 0.113(10) -0.029(7) 0.042(7) 0.032(6) C10 0.037(9) 0.039(11) 0.074(12) 0.006(8) 0.005(8) 0.001(7) F4 0.050(5) 0.019(5) 0.187(16) -0.024(7) 0.015(9) -0.018(4) F5 0.115(8) 0.125(10) 0.111(9) 0.055(8) 0.044(7) -0.030(7) F6 0.027(5) 0.042(5) 0.179(17) -0.023(7) -0.016(6) -0.004(4) C8' 0.056(11) 0.036(10) 0.077(19) -0.009(10) -0.006(10) -0.003(8) F1' 0.112(19) 0.19(3) 0.22(3) -0.07(2) 0.060(17) 0.045(17) F2' 0.075(9) 0.116(12) 0.240(19) -0.010(14) -0.080(11) 0.005(8) F3' 0.071(15) 0.074(12) 0.22(2) 0.024(14) -0.046(15) 0.020(8) C10' 0.041(12) 0.057(17) 0.073(15) 0.006(11) 0.005(9) -0.006(10) F4' 0.177(19) 0.28(3) 0.19(2) 0.00(2) -0.037(17) -0.14(2) F5' 0.089(10) 0.055(8) 0.18(2) 0.056(12) 0.062(12) 0.000(7) F6' 0.027(7) 0.093(10) 0.106(11) -0.014(8) 0.028(8) -0.021(6) F7 0.176(5) 0.064(3) 0.032(3) 0.005(2) 0.008(3) 0.014(3) F8 0.066(3) 0.112(4) 0.133(5) -0.071(3) -0.053(3) 0.020(3) F9 0.077(2) 0.041(2) 0.046(2) -0.0156(18) -0.0041(19) 0.0122(18) N1 0.028(2) 0.037(3) 0.027(3) 0.005(2) 0.0005(19) 0.0005(19) N2 0.027(2) 0.033(2) 0.026(3) 0.0008(19) -0.0031(18) 0.0002(17) O1 0.036(2) 0.027(2) 0.084(4) -0.005(2) 0.006(2) -0.0011(16) O2 0.0290(19) 0.030(2) 0.054(3) -0.0022(18) -0.0029(17) -0.0036(15) O3 0.037(2) 0.030(2) 0.081(3) 0.012(2) 0.010(2) 0.0003(17) O4 0.0289(18) 0.032(2) 0.057(3) 0.0051(19) 0.0011(17) -0.0018(16) O5 0.083(3) 0.027(2) 0.032(3) 0.0014(19) 0.002(2) 0.0110(19) O6 0.062(3) 0.024(2) 0.035(3) 0.0001(17) -0.0072(19) -0.0006(17) O2W 0.072(3) 0.050(3) 0.040(3) -0.005(2) -0.003(2) -0.022(2) O1W 0.046(2) 0.033(2) 0.050(3) 0.007(2) -0.007(2) -0.0009(19) O3W 0.039(2) 0.029(2) 0.057(3) 0.002(2) 0.007(2) -0.0013(17) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 C6 2.358(5) 4_557 ? Ag1 N1 2.389(4) . ? Ag1 O6 2.447(4) . ? Ag1 O1W 2.484(4) . ? Ag1 Ag3 2.8958(6) . ? Ag1 Ag2 2.9235(6) . ? Ag1 Ag4 3.2104(6) . ? Ag2 C6 2.203(5) 4_557 ? Ag2 O2 2.355(3) . ? Ag2 O5 2.357(4) . ? Ag2 O4 2.497(4) 8_765 ? Ag2 Ag3 2.8740(6) . ? Ag3 C6 2.238(5) 4_557 ? Ag3 N2 2.316(4) 7_565 ? Ag3 O3 2.535(4) . ? Ag3 O1 2.591(4) . ? Ag3 Ag4 3.0218(6) . ? Ag4 O4 2.339(3) . ? Ag4 O2 2.404(3) 8_755 ? Ag4 O2W 2.481(5) . ? Ag4 C6 2.496(5) 4_557 ? Ag4 C5 2.534(4) 4_557 ? C1 C2 1.369(7) . ? C1 C4 1.413(7) . ? C1 C5 1.456(6) . ? C2 N2 1.344(6) . ? C2 H2 0.9300 . ? C3 N2 1.322(6) . ? C3 N1 1.340(6) . ? C3 H3 0.9300 . ? C4 N1 1.325(6) . ? C4 H4 0.9300 . ? C5 C6 1.208(6) . ? C5 Ag4 2.534(4) 4_457 ? C6 Ag2 2.203(5) 4_457 ? C6 Ag3 2.238(5) 4_457 ? C6 Ag1 2.358(5) 4_457 ? C6 Ag4 2.496(5) 4_457 ? C7 O1 1.231(6) . ? C7 O2 1.233(6) . ? C7 C8 1.565(9) . ? C7 C8' 1.565(9) . ? C9 O3 1.229(6) . ? C9 O4 1.240(6) . ? C9 C10' 1.540(9) . ? C9 C10 1.543(9) . ? C11 O5 1.234(6) . ? C11 O6 1.248(6) . ? C11 C12 1.541(8) . ? C12 F8 1.296(7) . ? C12 F7 1.327(7) . ? C12 F9 1.330(7) . ? C8 F1 1.328(9) . ? C8 F3 1.335(9) . ? C8 F2 1.347(9) . ? C10 F5 1.326(9) . ? C10 F6 1.339(9) . ? C10 F4 1.349(9) . ? C8' F3' 1.330(9) . ? C8' F2' 1.331(9) . ? C8' F1' 1.337(9) . ? C10' F4' 1.327(9) . ? C10' F6' 1.337(9) . ? C10' F5' 1.342(9) . ? N2 Ag3 2.316(4) 7_566 ? O2 Ag4 2.405(3) 8_765 ? O4 Ag2 2.496(4) 8_755 ? O2W H2WA 0.82(7) . ? O2W H2WB 0.83(6) . ? O1W H1WB 0.83(6) . ? O1W H1WA 0.82(7) . ? O3W H3WA 0.82(6) . ? O3W H3WB 0.83(6) . ? 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 C6 Ag1 N1 170.32(17) 4_557 . ? C6 Ag1 O6 105.21(16) 4_557 . ? N1 Ag1 O6 84.42(14) . . ? C6 Ag1 O1W 89.79(16) 4_557 . ? N1 Ag1 O1W 87.94(15) . . ? O6 Ag1 O1W 97.63(14) . . ? C6 Ag1 Ag3 49.14(13) 4_557 . ? N1 Ag1 Ag3 123.75(10) . . ? O6 Ag1 Ag3 137.28(9) . . ? O1W Ag1 Ag3 113.23(11) . . ? C6 Ag1 Ag2 47.85(12) 4_557 . ? N1 Ag1 Ag2 137.56(10) . . ? O6 Ag1 Ag2 78.28(9) . . ? O1W Ag1 Ag2 132.37(11) . . ? Ag3 Ag1 Ag2 59.188(14) . . ? C6 Ag1 Ag4 50.46(12) 4_557 . ? N1 Ag1 Ag4 121.43(11) . . ? O6 Ag1 Ag4 136.89(9) . . ? O1W Ag1 Ag4 54.43(11) . . ? Ag3 Ag1 Ag4 59.055(15) . . ? Ag2 Ag1 Ag4 96.843(16) . . ? C6 Ag2 O2 140.70(16) 4_557 . ? C6 Ag2 O5 122.14(17) 4_557 . ? O2 Ag2 O5 87.21(14) . . ? C6 Ag2 O4 130.59(15) 4_557 8_765 ? O2 Ag2 O4 73.65(11) . 8_765 ? O5 Ag2 O4 82.69(14) . 8_765 ? C6 Ag2 Ag3 50.22(13) 4_557 . ? O2 Ag2 Ag3 90.58(9) . . ? O5 Ag2 Ag3 137.76(11) . . ? O4 Ag2 Ag3 136.64(10) 8_765 . ? C6 Ag2 Ag1 52.51(14) 4_557 . ? O2 Ag2 Ag1 114.79(9) . . ? O5 Ag2 Ag1 83.01(10) . . ? O4 Ag2 Ag1 162.98(10) 8_765 . ? Ag3 Ag2 Ag1 59.926(15) . . ? C6 Ag3 N2 150.58(17) 4_557 7_565 ? C6 Ag3 O3 112.58(17) 4_557 . ? N2 Ag3 O3 86.55(15) 7_565 . ? C6 Ag3 O1 116.63(16) 4_557 . ? N2 Ag3 O1 85.88(14) 7_565 . ? O3 Ag3 O1 85.31(12) . . ? C6 Ag3 Ag2 49.15(12) 4_557 . ? N2 Ag3 Ag2 137.10(10) 7_565 . ? O3 Ag3 Ag2 124.48(11) . . ? O1 Ag3 Ag2 70.13(9) . . ? C6 Ag3 Ag1 52.82(14) 4_557 . ? N2 Ag3 Ag1 154.17(10) 7_565 . ? O3 Ag3 Ag1 68.49(11) . . ? O1 Ag3 Ag1 85.59(11) . . ? Ag2 Ag3 Ag1 60.885(15) . . ? C6 Ag3 Ag4 54.20(12) 4_557 . ? N2 Ag3 Ag4 115.22(10) 7_565 . ? O3 Ag3 Ag4 74.69(9) . . ? O1 Ag3 Ag4 149.34(11) . . ? Ag2 Ag3 Ag4 102.296(17) . . ? Ag1 Ag3 Ag4 65.670(15) . . ? O4 Ag4 O2 75.69(12) . 8_755 ? O4 Ag4 O2W 108.21(15) . . ? O2 Ag4 O2W 103.35(15) 8_755 . ? O4 Ag4 C6 123.55(14) . 4_557 ? O2 Ag4 C6 154.78(15) 8_755 4_557 ? O2W Ag4 C6 86.71(17) . 4_557 ? O4 Ag4 C5 150.11(14) . 4_557 ? O2 Ag4 C5 129.13(13) 8_755 4_557 ? O2W Ag4 C5 84.07(16) . 4_557 ? C6 Ag4 C5 27.77(14) 4_557 4_557 ? O4 Ag4 Ag3 85.28(9) . . ? O2 Ag4 Ag3 158.42(8) 8_755 . ? O2W Ag4 Ag3 72.77(12) . . ? C6 Ag4 Ag3 46.67(12) 4_557 . ? C5 Ag4 Ag3 72.20(10) 4_557 . ? O4 Ag4 Ag1 84.53(10) . . ? O2 Ag4 Ag1 130.96(10) 8_755 . ? O2W Ag4 Ag1 125.49(12) . . ? C6 Ag4 Ag1 46.78(12) 4_557 . ? C5 Ag4 Ag1 66.62(11) 4_557 . ? Ag3 Ag4 Ag1 55.275(13) . . ? C2 C1 C4 116.6(4) . . ? C2 C1 C5 122.6(5) . . ? C4 C1 C5 120.8(5) . . ? N2 C2 C1 122.7(5) . . ? N2 C2 H2 118.7 . . ? C1 C2 H2 118.7 . . ? N2 C3 N1 126.5(5) . . ? N2 C3 H3 116.7 . . ? N1 C3 H3 116.7 . . ? N1 C4 C1 121.2(5) . . ? N1 C4 H4 119.4 . . ? C1 C4 H4 119.4 . . ? C6 C5 C1 174.2(5) . . ? C6 C5 Ag4 74.4(3) . 4_457 ? C1 C5 Ag4 109.6(3) . 4_457 ? C5 C6 Ag2 126.4(4) . 4_457 ? C5 C6 Ag3 144.5(4) . 4_457 ? Ag2 C6 Ag3 80.63(16) 4_457 4_457 ? C5 C6 Ag1 124.8(4) . 4_457 ? Ag2 C6 Ag1 79.64(16) 4_457 4_457 ? Ag3 C6 Ag1 78.05(15) 4_457 4_457 ? C5 C6 Ag4 77.9(3) . 4_457 ? Ag2 C6 Ag4 155.5(2) 4_457 4_457 ? Ag3 C6 Ag4 79.12(16) 4_457 4_457 ? Ag1 C6 Ag4 82.76(16) 4_457 4_457 ? O1 C7 O2 128.9(5) . . ? O1 C7 C8 118.5(6) . . ? O2 C7 C8 111.6(6) . . ? O1 C7 C8' 112.4(7) . . ? O2 C7 C8' 117.3(7) . . ? C8 C7 C8' 24.5(7) . . ? O3 C9 O4 129.9(5) . . ? O3 C9 C10' 114.8(7) . . ? O4 C9 C10' 114.8(7) . . ? O3 C9 C10 115.0(6) . . ? O4 C9 C10 114.4(6) . . ? C10' C9 C10 16.5(7) . . ? O5 C11 O6 130.3(5) . . ? O5 C11 C12 115.8(5) . . ? O6 C11 C12 113.8(5) . . ? F8 C12 F7 107.2(6) . . ? F8 C12 F9 107.4(5) . . ? F7 C12 F9 105.5(5) . . ? F8 C12 C11 111.0(5) . . ? F7 C12 C11 112.2(5) . . ? F9 C12 C11 113.1(5) . . ? F1 C8 F3 109.9(9) . . ? F1 C8 F2 106.9(9) . . ? F3 C8 F2 108.0(9) . . ? F1 C8 C7 108.8(8) . . ? F3 C8 C7 113.4(9) . . ? F2 C8 C7 109.7(15) . . ? F5 C10 F6 110.1(9) . . ? F5 C10 F4 113.5(9) . . ? F6 C10 F4 103.9(8) . . ? F5 C10 C9 106.6(8) . . ? F6 C10 C9 115.4(11) . . ? F4 C10 C9 107.6(8) . . ? F3' C8' F2' 109.3(10) . . ? F3' C8' F1' 109.6(10) . . ? F2' C8' F1' 110.3(10) . . ? F3' C8' C7 111.4(19) . . ? F2' C8' C7 113.1(10) . . ? F1' C8' C7 103.0(12) . . ? F4' C10' F6' 111.1(9) . . ? F4' C10' F5' 109.7(9) . . ? F6' C10' F5' 105.8(9) . . ? F4' C10' C9 109.6(11) . . ? F6' C10' C9 106.6(11) . . ? F5' C10' C9 113.9(11) . . ? C4 N1 C3 116.9(4) . . ? C4 N1 Ag1 132.8(4) . . ? C3 N1 Ag1 110.3(3) . . ? C3 N2 C2 116.1(4) . . ? C3 N2 Ag3 119.8(3) . 7_566 ? C2 N2 Ag3 124.1(3) . 7_566 ? C7 O1 Ag3 126.2(3) . . ? C7 O2 Ag2 111.4(3) . . ? C7 O2 Ag4 142.4(3) . 8_765 ? Ag2 O2 Ag4 106.07(13) . 8_765 ? C9 O3 Ag3 124.6(3) . . ? C9 O4 Ag4 120.5(3) . . ? C9 O4 Ag2 133.7(3) . 8_755 ? Ag4 O4 Ag2 103.68(12) . 8_755 ? C11 O5 Ag2 120.1(4) . . ? C11 O6 Ag1 121.1(4) . . ? Ag4 O2W H2WA 108(5) . . ? Ag4 O2W H2WB 131(4) . . ? H2WA O2W H2WB 109(6) . . ? Ag1 O1W H1WB 115(4) . . ? Ag1 O1W H1WA 128(4) . . ? H1WB O1W H1WA 107(6) . . ? H3WA O3W H3WB 109(6) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 Ag1 Ag2 C6 -168.6(2) . . . 4_557 ? O6 Ag1 Ag2 C6 123.3(2) . . . 4_557 ? O1W Ag1 Ag2 C6 33.6(2) . . . 4_557 ? Ag3 Ag1 Ag2 C6 -60.81(17) . . . 4_557 ? Ag4 Ag1 Ag2 C6 -13.23(17) . . . 4_557 ? C6 Ag1 Ag2 O2 136.1(2) 4_557 . . . ? N1 Ag1 Ag2 O2 -32.59(18) . . . . ? O6 Ag1 Ag2 O2 -100.62(14) . . . . ? O1W Ag1 Ag2 O2 169.70(18) . . . . ? Ag3 Ag1 Ag2 O2 75.25(10) . . . . ? Ag4 Ag1 Ag2 O2 122.82(10) . . . . ? C6 Ag1 Ag2 O5 -140.3(2) 4_557 . . . ? N1 Ag1 Ag2 O5 51.05(19) . . . . ? O6 Ag1 Ag2 O5 -16.98(15) . . . . ? O1W Ag1 Ag2 O5 -106.66(18) . . . . ? Ag3 Ag1 Ag2 O5 158.89(11) . . . . ? Ag4 Ag1 Ag2 O5 -153.53(11) . . . . ? C6 Ag1 Ag2 O4 -107.2(3) 4_557 . . 8_765 ? N1 Ag1 Ag2 O4 84.1(3) . . . 8_765 ? O6 Ag1 Ag2 O4 16.1(3) . . . 8_765 ? O1W Ag1 Ag2 O4 -73.6(3) . . . 8_765 ? Ag3 Ag1 Ag2 O4 -168.0(3) . . . 8_765 ? Ag4 Ag1 Ag2 O4 -120.4(3) . . . 8_765 ? C6 Ag1 Ag2 Ag3 60.81(17) 4_557 . . . ? N1 Ag1 Ag2 Ag3 -107.84(15) . . . . ? O6 Ag1 Ag2 Ag3 -175.87(9) . . . . ? O1W Ag1 Ag2 Ag3 94.45(15) . . . . ? Ag4 Ag1 Ag2 Ag3 47.578(15) . . . . ? O2 Ag2 Ag3 C6 177.1(2) . . . 4_557 ? O5 Ag2 Ag3 C6 -96.5(2) . . . 4_557 ? O4 Ag2 Ag3 C6 110.6(2) 8_765 . . 4_557 ? Ag1 Ag2 Ag3 C6 -64.34(18) . . . 4_557 ? C6 Ag2 Ag3 N2 -139.6(2) 4_557 . . 7_565 ? O2 Ag2 Ag3 N2 37.49(18) . . . 7_565 ? O5 Ag2 Ag3 N2 124.0(2) . . . 7_565 ? O4 Ag2 Ag3 N2 -28.98(19) 8_765 . . 7_565 ? Ag1 Ag2 Ag3 N2 156.09(15) . . . 7_565 ? C6 Ag2 Ag3 O3 91.2(2) 4_557 . . . ? O2 Ag2 Ag3 O3 -91.70(14) . . . . ? O5 Ag2 Ag3 O3 -5.22(19) . . . . ? O4 Ag2 Ag3 O3 -158.17(15) 8_765 . . . ? Ag1 Ag2 Ag3 O3 26.90(11) . . . . ? C6 Ag2 Ag3 O1 160.5(2) 4_557 . . . ? O2 Ag2 Ag3 O1 -22.42(14) . . . . ? O5 Ag2 Ag3 O1 64.06(18) . . . . ? O4 Ag2 Ag3 O1 -88.89(16) 8_765 . . . ? Ag1 Ag2 Ag3 O1 96.18(11) . . . . ? C6 Ag2 Ag3 Ag1 64.34(18) 4_557 . . . ? O2 Ag2 Ag3 Ag1 -118.61(9) . . . . ? O5 Ag2 Ag3 Ag1 -32.12(15) . . . . ? O4 Ag2 Ag3 Ag1 174.92(11) 8_765 . . . ? C6 Ag2 Ag3 Ag4 11.50(18) 4_557 . . . ? O2 Ag2 Ag3 Ag4 -171.45(9) . . . . ? O5 Ag2 Ag3 Ag4 -84.97(15) . . . . ? O4 Ag2 Ag3 Ag4 122.08(11) 8_765 . . . ? Ag1 Ag2 Ag3 Ag4 -52.841(16) . . . . ? N1 Ag1 Ag3 C6 -171.7(2) . . . 4_557 ? O6 Ag1 Ag3 C6 64.8(2) . . . 4_557 ? O1W Ag1 Ag3 C6 -67.87(19) . . . 4_557 ? Ag2 Ag1 Ag3 C6 58.85(15) . . . 4_557 ? Ag4 Ag1 Ag3 C6 -62.44(15) . . . 4_557 ? C6 Ag1 Ag3 N2 160.4(3) 4_557 . . 7_565 ? N1 Ag1 Ag3 N2 -11.3(3) . . . 7_565 ? O6 Ag1 Ag3 N2 -134.7(3) . . . 7_565 ? O1W Ag1 Ag3 N2 92.6(3) . . . 7_565 ? Ag2 Ag1 Ag3 N2 -140.7(2) . . . 7_565 ? Ag4 Ag1 Ag3 N2 98.0(2) . . . 7_565 ? C6 Ag1 Ag3 O3 144.79(18) 4_557 . . . ? N1 Ag1 Ag3 O3 -26.95(16) . . . . ? O6 Ag1 Ag3 O3 -150.40(16) . . . . ? O1W Ag1 Ag3 O3 76.91(15) . . . . ? Ag2 Ag1 Ag3 O3 -156.37(9) . . . . ? Ag4 Ag1 Ag3 O3 82.35(9) . . . . ? C6 Ag1 Ag3 O1 -128.53(17) 4_557 . . . ? N1 Ag1 Ag3 O1 59.73(15) . . . . ? O6 Ag1 Ag3 O1 -63.71(16) . . . . ? O1W Ag1 Ag3 O1 163.60(14) . . . . ? Ag2 Ag1 Ag3 O1 -69.68(8) . . . . ? Ag4 Ag1 Ag3 O1 169.03(8) . . . . ? C6 Ag1 Ag3 Ag2 -58.85(15) 4_557 . . . ? N1 Ag1 Ag3 Ag2 129.41(13) . . . . ? O6 Ag1 Ag3 Ag2 5.97(14) . . . . ? O1W Ag1 Ag3 Ag2 -126.72(11) . . . . ? Ag4 Ag1 Ag3 Ag2 -121.287(16) . . . . ? C6 Ag1 Ag3 Ag4 62.44(15) 4_557 . . . ? N1 Ag1 Ag3 Ag4 -109.30(13) . . . . ? O6 Ag1 Ag3 Ag4 127.26(14) . . . . ? O1W Ag1 Ag3 Ag4 -5.43(11) . . . . ? Ag2 Ag1 Ag3 Ag4 121.287(16) . . . . ? C6 Ag3 Ag4 O4 147.2(2) 4_557 . . . ? N2 Ag3 Ag4 O4 -64.91(16) 7_565 . . . ? O3 Ag3 Ag4 O4 13.67(16) . . . . ? O1 Ag3 Ag4 O4 64.77(19) . . . . ? Ag2 Ag3 Ag4 O4 136.43(11) . . . . ? Ag1 Ag3 Ag4 O4 86.61(11) . . . . ? C6 Ag3 Ag4 O2 175.2(3) 4_557 . . 8_755 ? N2 Ag3 Ag4 O2 -36.9(3) 7_565 . . 8_755 ? O3 Ag3 Ag4 O2 41.7(3) . . . 8_755 ? O1 Ag3 Ag4 O2 92.8(3) . . . 8_755 ? Ag2 Ag3 Ag4 O2 164.4(3) . . . 8_755 ? Ag1 Ag3 Ag4 O2 114.6(3) . . . 8_755 ? C6 Ag3 Ag4 O2W -102.1(2) 4_557 . . . ? N2 Ag3 Ag4 O2W 45.82(16) 7_565 . . . ? O3 Ag3 Ag4 O2W 124.40(16) . . . . ? O1 Ag3 Ag4 O2W 175.5(2) . . . . ? Ag2 Ag3 Ag4 O2W -112.84(11) . . . . ? Ag1 Ag3 Ag4 O2W -162.67(11) . . . . ? N2 Ag3 Ag4 C6 147.9(2) 7_565 . . 4_557 ? O3 Ag3 Ag4 C6 -133.5(2) . . . 4_557 ? O1 Ag3 Ag4 C6 -82.4(2) . . . 4_557 ? Ag2 Ag3 Ag4 C6 -10.72(17) . . . 4_557 ? Ag1 Ag3 Ag4 C6 -60.55(17) . . . 4_557 ? C6 Ag3 Ag4 C5 -12.9(2) 4_557 . . 4_557 ? N2 Ag3 Ag4 C5 135.01(16) 7_565 . . 4_557 ? O3 Ag3 Ag4 C5 -146.40(17) . . . 4_557 ? O1 Ag3 Ag4 C5 -95.3(2) . . . 4_557 ? Ag2 Ag3 Ag4 C5 -23.64(12) . . . 4_557 ? Ag1 Ag3 Ag4 C5 -73.47(12) . . . 4_557 ? C6 Ag3 Ag4 Ag1 60.55(17) 4_557 . . . ? N2 Ag3 Ag4 Ag1 -151.52(11) 7_565 . . . ? O3 Ag3 Ag4 Ag1 -72.93(12) . . . . ? O1 Ag3 Ag4 Ag1 -21.84(16) . . . . ? Ag2 Ag3 Ag4 Ag1 49.829(16) . . . . ? C6 Ag1 Ag4 O4 -148.42(19) 4_557 . . . ? N1 Ag1 Ag4 O4 25.08(15) . . . . ? O6 Ag1 Ag4 O4 144.15(16) . . . . ? O1W Ag1 Ag4 O4 85.81(16) . . . . ? Ag3 Ag1 Ag4 O4 -88.05(10) . . . . ? Ag2 Ag1 Ag4 O4 -135.71(10) . . . . ? C6 Ag1 Ag4 O2 145.9(2) 4_557 . . 8_755 ? N1 Ag1 Ag4 O2 -40.59(16) . . . 8_755 ? O6 Ag1 Ag4 O2 78.48(17) . . . 8_755 ? O1W Ag1 Ag4 O2 20.15(17) . . . 8_755 ? Ag3 Ag1 Ag4 O2 -153.71(11) . . . 8_755 ? Ag2 Ag1 Ag4 O2 158.62(11) . . . 8_755 ? C6 Ag1 Ag4 O2W -39.9(2) 4_557 . . . ? N1 Ag1 Ag4 O2W 133.58(18) . . . . ? O6 Ag1 Ag4 O2W -107.35(19) . . . . ? O1W Ag1 Ag4 O2W -165.68(19) . . . . ? Ag3 Ag1 Ag4 O2W 20.46(14) . . . . ? Ag2 Ag1 Ag4 O2W -27.21(14) . . . . ? N1 Ag1 Ag4 C6 173.5(2) . . . 4_557 ? O6 Ag1 Ag4 C6 -67.4(2) . . . 4_557 ? O1W Ag1 Ag4 C6 -125.8(2) . . . 4_557 ? Ag3 Ag1 Ag4 C6 60.38(16) . . . 4_557 ? Ag2 Ag1 Ag4 C6 12.71(16) . . . 4_557 ? C6 Ag1 Ag4 C5 23.6(2) 4_557 . . 4_557 ? N1 Ag1 Ag4 C5 -162.94(16) . . . 4_557 ? O6 Ag1 Ag4 C5 -43.87(18) . . . 4_557 ? O1W Ag1 Ag4 C5 -102.20(17) . . . 4_557 ? Ag3 Ag1 Ag4 C5 83.94(12) . . . 4_557 ? Ag2 Ag1 Ag4 C5 36.27(12) . . . 4_557 ? C6 Ag1 Ag4 Ag3 -60.38(16) 4_557 . . . ? N1 Ag1 Ag4 Ag3 113.12(12) . . . . ? O6 Ag1 Ag4 Ag3 -127.81(13) . . . . ? O1W Ag1 Ag4 Ag3 173.86(13) . . . . ? Ag2 Ag1 Ag4 Ag3 -47.665(15) . . . . ? C4 C1 C2 N2 -0.1(7) . . . . ? C5 C1 C2 N2 -178.9(4) . . . . ? C2 C1 C4 N1 0.5(7) . . . . ? C5 C1 C4 N1 179.3(5) . . . . ? C2 C1 C5 C6 -36(6) . . . . ? C4 C1 C5 C6 145(5) . . . . ? C2 C1 C5 Ag4 96.3(5) . . . 4_457 ? C4 C1 C5 Ag4 -82.4(5) . . . 4_457 ? C1 C5 C6 Ag2 -50(6) . . . 4_457 ? Ag4 C5 C6 Ag2 176.1(5) 4_457 . . 4_457 ? C1 C5 C6 Ag3 83(5) . . . 4_457 ? Ag4 C5 C6 Ag3 -50.7(6) 4_457 . . 4_457 ? C1 C5 C6 Ag1 -154(5) . . . 4_457 ? Ag4 C5 C6 Ag1 72.1(3) 4_457 . . 4_457 ? C1 C5 C6 Ag4 134(5) . . . 4_457 ? O5 C11 C12 F8 -91.8(6) . . . . ? O6 C11 C12 F8 86.5(6) . . . . ? O5 C11 C12 F7 148.3(5) . . . . ? O6 C11 C12 F7 -33.4(7) . . . . ? O5 C11 C12 F9 29.0(7) . . . . ? O6 C11 C12 F9 -152.7(5) . . . . ? O1 C7 C8 F1 -6.6(13) . . . . ? O2 C7 C8 F1 -176.5(9) . . . . ? C8' C7 C8 F1 75(2) . . . . ? O1 C7 C8 F3 116.0(9) . . . . ? O2 C7 C8 F3 -53.9(11) . . . . ? C8' C7 C8 F3 -163(3) . . . . ? O1 C7 C8 F2 -123.2(10) . . . . ? O2 C7 C8 F2 66.9(10) . . . . ? C8' C7 C8 F2 -41.8(19) . . . . ? O3 C9 C10 F5 -100.0(9) . . . . ? O4 C9 C10 F5 71.4(10) . . . . ? C10' C9 C10 F5 167(4) . . . . ? O3 C9 C10 F6 22.6(12) . . . . ? O4 C9 C10 F6 -166.0(8) . . . . ? C10' C9 C10 F6 -71(3) . . . . ? O3 C9 C10 F4 138.0(9) . . . . ? O4 C9 C10 F4 -50.6(10) . . . . ? C10' C9 C10 F4 45(3) . . . . ? O1 C7 C8' F3' -145.5(13) . . . . ? O2 C7 C8' F3' 22.1(15) . . . . ? C8 C7 C8' F3' 104(2) . . . . ? O1 C7 C8' F2' -22.0(14) . . . . ? O2 C7 C8' F2' 145.6(11) . . . . ? C8 C7 C8' F2' -132(3) . . . . ? O1 C7 C8' F1' 97.1(13) . . . . ? O2 C7 C8' F1' -95.3(13) . . . . ? C8 C7 C8' F1' -12.9(19) . . . . ? O3 C9 C10' F4' 83.0(13) . . . . ? O4 C9 C10' F4' -90.2(13) . . . . ? C10 C9 C10' F4' 178(4) . . . . ? O3 C9 C10' F6' -37.4(12) . . . . ? O4 C9 C10' F6' 149.4(10) . . . . ? C10 C9 C10' F6' 57(3) . . . . ? O3 C9 C10' F5' -153.7(11) . . . . ? O4 C9 C10' F5' 33.1(14) . . . . ? C10 C9 C10' F5' -59(3) . . . . ? C1 C4 N1 C3 -0.8(7) . . . . ? C1 C4 N1 Ag1 -179.5(4) . . . . ? N2 C3 N1 C4 0.6(8) . . . . ? N2 C3 N1 Ag1 179.6(4) . . . . ? C6 Ag1 N1 C4 -51.8(12) 4_557 . . . ? O6 Ag1 N1 C4 133.8(5) . . . . ? O1W Ag1 N1 C4 -128.3(5) . . . . ? Ag3 Ag1 N1 C4 -11.5(5) . . . . ? Ag2 Ag1 N1 C4 68.0(5) . . . . ? Ag4 Ag1 N1 C4 -83.1(5) . . . . ? C6 Ag1 N1 C3 129.4(9) 4_557 . . . ? O6 Ag1 N1 C3 -45.0(3) . . . . ? O1W Ag1 N1 C3 52.9(4) . . . . ? Ag3 Ag1 N1 C3 169.7(3) . . . . ? Ag2 Ag1 N1 C3 -110.8(3) . . . . ? Ag4 Ag1 N1 C3 98.1(3) . . . . ? N1 C3 N2 C2 -0.2(8) . . . . ? N1 C3 N2 Ag3 -179.0(4) . . . 7_566 ? C1 C2 N2 C3 -0.1(7) . . . . ? C1 C2 N2 Ag3 178.7(4) . . . 7_566 ? O2 C7 O1 Ag3 -16.1(10) . . . . ? C8 C7 O1 Ag3 176.0(6) . . . . ? C8' C7 O1 Ag3 149.7(7) . . . . ? C6 Ag3 O1 C7 47.8(6) 4_557 . . . ? N2 Ag3 O1 C7 -112.4(5) 7_565 . . . ? O3 Ag3 O1 C7 160.7(5) . . . . ? Ag2 Ag3 O1 C7 31.4(5) . . . . ? Ag1 Ag3 O1 C7 92.0(5) . . . . ? Ag4 Ag3 O1 C7 111.8(5) . . . . ? O1 C7 O2 Ag2 -16.2(9) . . . . ? C8 C7 O2 Ag2 152.4(6) . . . . ? C8' C7 O2 Ag2 178.6(7) . . . . ? O1 C7 O2 Ag4 160.4(5) . . . 8_765 ? C8 C7 O2 Ag4 -31.0(10) . . . 8_765 ? C8' C7 O2 Ag4 -4.7(11) . . . 8_765 ? C6 Ag2 O2 C7 35.2(5) 4_557 . . . ? O5 Ag2 O2 C7 -106.1(4) . . . . ? O4 Ag2 O2 C7 170.7(4) 8_765 . . . ? Ag3 Ag2 O2 C7 31.7(4) . . . . ? Ag1 Ag2 O2 C7 -25.1(4) . . . . ? C6 Ag2 O2 Ag4 -142.6(2) 4_557 . . 8_765 ? O5 Ag2 O2 Ag4 75.99(16) . . . 8_765 ? O4 Ag2 O2 Ag4 -7.21(15) 8_765 . . 8_765 ? Ag3 Ag2 O2 Ag4 -146.21(13) . . . 8_765 ? Ag1 Ag2 O2 Ag4 156.98(9) . . . 8_765 ? O4 C9 O3 Ag3 15.8(9) . . . . ? C10' C9 O3 Ag3 -156.2(7) . . . . ? C10 C9 O3 Ag3 -174.4(5) . . . . ? C6 Ag3 O3 C9 -60.8(5) 4_557 . . . ? N2 Ag3 O3 C9 96.1(5) 7_565 . . . ? O1 Ag3 O3 C9 -177.8(5) . . . . ? Ag2 Ag3 O3 C9 -115.8(4) . . . . ? Ag1 Ag3 O3 C9 -90.7(5) . . . . ? Ag4 Ag3 O3 C9 -21.2(4) . . . . ? O3 C9 O4 Ag4 5.9(8) . . . . ? C10' C9 O4 Ag4 177.9(6) . . . . ? C10 C9 O4 Ag4 -164.0(5) . . . . ? O3 C9 O4 Ag2 166.4(5) . . . 8_755 ? C10' C9 O4 Ag2 -21.7(9) . . . 8_755 ? C10 C9 O4 Ag2 -3.5(9) . . . 8_755 ? O2 Ag4 O4 C9 172.7(4) 8_755 . . . ? O2W Ag4 O4 C9 -87.7(4) . . . . ? C6 Ag4 O4 C9 10.7(5) 4_557 . . . ? C5 Ag4 O4 C9 23.1(6) 4_557 . . . ? Ag3 Ag4 O4 C9 -17.6(4) . . . . ? Ag1 Ag4 O4 C9 38.0(4) . . . . ? O2 Ag4 O4 Ag2 7.11(15) 8_755 . . 8_755 ? O2W Ag4 O4 Ag2 106.72(18) . . . 8_755 ? C6 Ag4 O4 Ag2 -154.90(17) 4_557 . . 8_755 ? C5 Ag4 O4 Ag2 -142.5(2) 4_557 . . 8_755 ? Ag3 Ag4 O4 Ag2 176.84(14) . . . 8_755 ? Ag1 Ag4 O4 Ag2 -127.65(14) . . . 8_755 ? O6 C11 O5 Ag2 -9.7(8) . . . . ? C12 C11 O5 Ag2 168.3(3) . . . . ? C6 Ag2 O5 C11 -14.5(5) 4_557 . . . ? O2 Ag2 O5 C11 137.7(4) . . . . ? O4 Ag2 O5 C11 -148.5(4) 8_765 . . . ? Ag3 Ag2 O5 C11 49.9(5) . . . . ? Ag1 Ag2 O5 C11 22.3(4) . . . . ? O5 C11 O6 Ag1 -15.7(8) . . . . ? C12 C11 O6 Ag1 166.3(3) . . . . ? C6 Ag1 O6 C11 64.3(4) 4_557 . . . ? N1 Ag1 O6 C11 -116.7(4) . . . . ? O1W Ag1 O6 C11 156.1(4) . . . . ? Ag3 Ag1 O6 C11 19.1(5) . . . . ? Ag2 Ag1 O6 C11 24.3(4) . . . . ? Ag4 Ag1 O6 C11 111.8(4) . . . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 27.50 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.113 _refine_diff_density_min -0.625 _refine_diff_density_rms 0.176 #===END #===END data_Compound-3 _database_code_depnum_ccdc_archive 'CCDC 707145' #TrackingRef 'si-1-2-3.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common AgNO3-5-pyrimidylethynide _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C6 H5 Ag4 N5 O10' _chemical_formula_weight 738.63 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 P2(1)/c 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 7.9993(5) _cell_length_b 11.2241(8) _cell_length_c 16.2302(11) _cell_angle_alpha 90.00 _cell_angle_beta 96.8360(10) _cell_angle_gamma 90.00 _cell_volume 1446.87(17) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.391 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1376 _exptl_absorpt_coefficient_mu 5.401 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4114 _exptl_absorpt_correction_T_max 0.6142 _exptl_absorpt_process_details SADABS,Sheldrick,1997 _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 'Bruker Smart Apex II CCD' _diffrn_measurement_method '\f and \w' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13294 _diffrn_reflns_av_R_equivalents 0.1189 _diffrn_reflns_av_sigmaI/netI 0.0664 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 2.21 _diffrn_reflns_theta_max 26.99 _reflns_number_total 3135 _reflns_number_gt 2793 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0974P)^2^+2.9644P] 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 SHELXL _refine_ls_extinction_coef 0.0103(8) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 3135 _refine_ls_number_parameters 227 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0624 _refine_ls_R_factor_gt 0.0522 _refine_ls_wR_factor_ref 0.1684 _refine_ls_wR_factor_gt 0.1436 _refine_ls_goodness_of_fit_ref 1.145 _refine_ls_restrained_S_all 1.145 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.18565(7) 0.29198(6) 0.14133(4) 0.0421(3) Uani 1 1 d . . . Ag2 Ag 0.25617(9) 0.13327(7) 0.30738(5) 0.0533(3) Uani 1 1 d . . . Ag3 Ag 0.31635(10) 0.38427(6) 0.31839(4) 0.0477(3) Uani 1 1 d . . . Ag4 Ag 0.60485(8) 0.21773(6) 0.35607(3) 0.0416(3) Uani 1 1 d . . . C1 C -0.1468(9) 0.2674(6) 0.0204(4) 0.0292(13) Uani 1 1 d . . . H1 H -0.0675 0.2729 -0.0170 0.035 Uiso 1 1 calc R . . C2 C -0.2058(9) 0.2804(6) 0.1544(4) 0.0277(13) Uani 1 1 d . . . H2 H -0.1717 0.2966 0.2101 0.033 Uiso 1 1 calc R . . C3 C 0.5797(9) 0.2365(6) 0.0432(5) 0.0306(14) Uani 1 1 d . . . H3 H 0.4691 0.2174 0.0233 0.037 Uiso 1 1 calc R . . C4 C 0.6233(9) 0.2550(5) 0.1281(5) 0.0278(13) Uani 1 1 d . . . C5 C 0.5017(9) 0.2495(6) 0.1849(4) 0.0283(14) Uani 1 1 d . . . C6 C 0.4116(9) 0.2469(6) 0.2393(4) 0.0289(14) Uani 1 1 d . . . N1 N -0.0931(7) 0.2815(5) 0.1005(3) 0.0261(11) Uani 1 1 d . . . N2 N -0.3046(7) 0.2460(5) -0.0101(4) 0.0271(11) Uani 1 1 d . . . N3 N 0.8908(7) 0.0788(5) 0.2952(3) 0.0307(12) Uani 1 1 d . . . N4 N 0.6954(9) 0.4982(5) 0.3802(4) 0.0383(15) Uani 1 1 d . . . N5 N 0.2550(11) 0.0728(6) 0.4857(4) 0.0481(17) Uani 1 1 d . . . O1 O 0.7381(7) 0.0570(5) 0.2805(3) 0.0417(13) Uani 1 1 d . . . O2 O 0.9344(8) 0.1726(5) 0.3305(4) 0.0462(14) Uani 1 1 d . . . O3 O 0.9967(9) 0.0086(6) 0.2730(4) 0.0544(16) Uani 1 1 d . . . O4 O 0.7199(14) 0.4445(7) 0.3166(5) 0.086(3) Uani 1 1 d . . . O5 O 0.8149(9) 0.5546(7) 0.4190(4) 0.0614(18) Uani 1 1 d . . . O6 O 0.5557(8) 0.4986(5) 0.4052(4) 0.0499(15) Uani 1 1 d . . . O7 O 0.3001(13) 0.0141(6) 0.4263(4) 0.074(3) Uani 1 1 d . . . O8 O 0.2224(7) 0.1789(5) 0.4773(4) 0.0473(14) Uani 1 1 d . . . O9 O 0.2387(16) 0.0241(7) 0.5528(5) 0.095(3) Uani 1 1 d . . . O1W O 0.1597(9) 0.4716(6) 0.4071(4) 0.0541(16) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0311(4) 0.0494(4) 0.0429(4) 0.0027(3) -0.0071(3) 0.0017(2) Ag2 0.0501(5) 0.0605(5) 0.0520(5) 0.0127(3) 0.0171(3) -0.0206(3) Ag3 0.0616(5) 0.0454(4) 0.0379(4) -0.0046(2) 0.0141(3) 0.0193(3) Ag4 0.0376(4) 0.0602(4) 0.0256(4) -0.0077(2) -0.0012(3) 0.0089(3) C1 0.025(3) 0.037(3) 0.028(3) 0.000(3) 0.012(3) 0.002(3) C2 0.036(4) 0.028(3) 0.020(3) 0.003(2) 0.008(3) -0.003(3) C3 0.027(3) 0.035(3) 0.031(4) 0.000(3) 0.007(3) -0.002(3) C4 0.032(3) 0.024(3) 0.030(3) 0.000(2) 0.013(3) 0.002(2) C5 0.028(3) 0.026(3) 0.031(4) 0.004(2) 0.006(3) -0.002(2) C6 0.030(3) 0.033(3) 0.025(3) -0.003(3) 0.008(3) -0.002(3) N1 0.024(3) 0.033(3) 0.022(3) -0.001(2) 0.005(2) 0.002(2) N2 0.026(3) 0.033(3) 0.022(3) 0.000(2) 0.005(2) -0.002(2) N3 0.031(3) 0.037(3) 0.025(3) 0.005(2) 0.006(2) 0.003(2) N4 0.053(4) 0.028(3) 0.035(3) 0.005(2) 0.014(3) -0.005(3) N5 0.070(5) 0.038(3) 0.037(4) -0.003(3) 0.010(3) -0.008(3) O1 0.039(3) 0.048(3) 0.039(3) -0.007(2) 0.009(2) 0.001(2) O2 0.057(4) 0.042(3) 0.039(3) -0.008(3) 0.005(3) -0.008(3) O3 0.052(4) 0.056(3) 0.057(4) -0.009(3) 0.016(3) 0.018(3) O4 0.125(8) 0.064(4) 0.081(6) -0.032(4) 0.068(6) -0.035(5) O5 0.049(4) 0.073(4) 0.060(4) 0.007(3) -0.005(3) -0.014(3) O6 0.041(3) 0.044(3) 0.068(4) -0.002(3) 0.024(3) 0.003(3) O7 0.150(8) 0.041(3) 0.035(3) -0.006(3) 0.032(4) -0.002(4) O8 0.035(3) 0.044(3) 0.063(4) -0.001(3) 0.010(3) -0.001(2) O9 0.193(11) 0.056(4) 0.047(4) 0.005(3) 0.049(5) 0.010(5) O1W 0.052(4) 0.073(4) 0.040(3) -0.006(3) 0.016(3) 0.018(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N1 2.252(6) . ? Ag1 C6 2.317(7) . ? Ag1 O9 2.579(8) 4_565 ? Ag1 C5 2.588(7) . ? Ag1 Ag3 3.1160(9) . ? Ag1 Ag2 3.2239(9) . ? Ag2 C6 2.172(7) . ? Ag2 O7 2.340(7) . ? Ag2 O3 2.510(7) 1_455 ? Ag2 Ag3 2.8600(10) . ? Ag2 Ag4 2.9628(10) . ? Ag3 C6 2.199(7) . ? Ag3 O1W 2.243(6) . ? Ag3 O1 2.522(5) 2_655 ? Ag3 O6 2.580(7) . ? Ag3 Ag4 2.9763(9) . ? Ag4 N2 2.244(6) 4_666 ? Ag4 C6 2.322(7) . ? Ag4 O1 2.491(5) . ? C1 N2 1.321(9) . ? C1 N1 1.330(9) . ? C1 H1 0.9300 . ? C2 N1 1.330(9) . ? C2 C4 1.412(10) 1_455 ? C2 H2 0.9300 . ? C3 N2 1.344(10) 1_655 ? C3 C4 1.397(10) . ? C3 H3 0.9300 . ? C4 C2 1.412(10) 1_655 ? C4 C5 1.419(10) . ? C5 C6 1.205(10) . ? N2 C3 1.344(10) 1_455 ? N2 Ag4 2.244(6) 4_465 ? N3 O2 1.229(8) . ? N3 O1 1.241(8) . ? N3 O3 1.241(9) . ? N4 O4 1.231(9) . ? N4 O6 1.233(9) . ? N4 O5 1.252(9) . ? N5 O8 1.224(10) . ? N5 O9 1.240(10) . ? N5 O7 1.255(10) . ? O1 Ag3 2.522(5) 2_645 ? O3 Ag2 2.510(7) 1_655 ? O9 Ag1 2.579(8) 4_566 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Ag1 C6 148.7(2) . . ? N1 Ag1 O9 95.8(3) . 4_565 ? C6 Ag1 O9 113.0(3) . 4_565 ? N1 Ag1 C5 166.3(2) . . ? C6 Ag1 C5 27.8(2) . . ? O9 Ag1 C5 94.6(3) 4_565 . ? N1 Ag1 Ag3 120.03(15) . . ? C6 Ag1 Ag3 44.83(17) . . ? O9 Ag1 Ag3 100.8(2) 4_565 . ? C5 Ag1 Ag3 66.39(16) . . ? N1 Ag1 Ag2 106.60(15) . . ? C6 Ag1 Ag2 42.34(17) . . ? O9 Ag1 Ag2 152.1(2) 4_565 . ? C5 Ag1 Ag2 66.52(15) . . ? Ag3 Ag1 Ag2 53.60(2) . . ? C6 Ag2 O7 135.7(3) . . ? C6 Ag2 O3 136.2(2) . 1_455 ? O7 Ag2 O3 84.5(3) . 1_455 ? C6 Ag2 Ag3 49.55(17) . . ? O7 Ag2 Ag3 120.26(17) . . ? O3 Ag2 Ag3 133.75(14) 1_455 . ? C6 Ag2 Ag4 50.97(18) . . ? O7 Ag2 Ag4 85.3(2) . . ? O3 Ag2 Ag4 164.77(15) 1_455 . ? Ag3 Ag2 Ag4 61.45(2) . . ? C6 Ag2 Ag1 45.91(18) . . ? O7 Ag2 Ag1 178.2(2) . . ? O3 Ag2 Ag1 93.68(16) 1_455 . ? Ag3 Ag2 Ag1 61.27(2) . . ? Ag4 Ag2 Ag1 96.41(2) . . ? C6 Ag3 O1W 159.9(3) . . ? C6 Ag3 O1 102.3(2) . 2_655 ? O1W Ag3 O1 90.3(2) . 2_655 ? C6 Ag3 O6 112.4(2) . . ? O1W Ag3 O6 82.4(2) . . ? O1 Ag3 O6 91.5(2) 2_655 . ? C6 Ag3 Ag2 48.73(18) . . ? O1W Ag3 Ag2 111.57(19) . . ? O1 Ag3 Ag2 134.61(14) 2_655 . ? O6 Ag3 Ag2 129.23(14) . . ? C6 Ag3 Ag4 50.63(18) . . ? O1W Ag3 Ag4 128.39(17) . . ? O1 Ag3 Ag4 133.21(14) 2_655 . ? O6 Ag3 Ag4 72.13(14) . . ? Ag2 Ag3 Ag4 60.98(2) . . ? C6 Ag3 Ag1 47.95(18) . . ? O1W Ag3 Ag1 125.84(18) . . ? O1 Ag3 Ag1 69.79(13) 2_655 . ? O6 Ag3 Ag1 144.56(14) . . ? Ag2 Ag3 Ag1 65.13(2) . . ? Ag4 Ag3 Ag1 98.49(2) . . ? N2 Ag4 C6 150.6(2) 4_666 . ? N2 Ag4 O1 120.0(2) 4_666 . ? C6 Ag4 O1 89.0(2) . . ? N2 Ag4 Ag2 120.10(16) 4_666 . ? C6 Ag4 Ag2 46.62(17) . . ? O1 Ag4 Ag2 94.67(13) . . ? N2 Ag4 Ag3 103.77(15) 4_666 . ? C6 Ag4 Ag3 47.08(17) . . ? O1 Ag4 Ag3 136.10(13) . . ? Ag2 Ag4 Ag3 57.57(2) . . ? N2 C1 N1 124.8(6) . . ? N2 C1 H1 117.6 . . ? N1 C1 H1 117.6 . . ? N1 C2 C4 120.7(6) . 1_455 ? N1 C2 H2 119.6 . . ? C4 C2 H2 119.6 1_455 . ? N2 C3 C4 120.8(6) 1_655 . ? N2 C3 H3 119.6 1_655 . ? C4 C3 H3 119.6 . . ? C3 C4 C2 116.6(6) . 1_655 ? C3 C4 C5 121.6(7) . . ? C2 C4 C5 121.8(6) 1_655 . ? C6 C5 C4 173.4(7) . . ? C6 C5 Ag1 63.5(4) . . ? C4 C5 Ag1 122.5(5) . . ? C5 C6 Ag2 144.6(5) . . ? C5 C6 Ag3 133.6(5) . . ? Ag2 C6 Ag3 81.7(2) . . ? C5 C6 Ag1 88.7(5) . . ? Ag2 C6 Ag1 91.7(3) . . ? Ag3 C6 Ag1 87.2(2) . . ? C5 C6 Ag4 101.7(5) . . ? Ag2 C6 Ag4 82.4(2) . . ? Ag3 C6 Ag4 82.3(2) . . ? Ag1 C6 Ag4 168.6(3) . . ? C1 N1 C2 118.5(6) . . ? C1 N1 Ag1 119.2(5) . . ? C2 N1 Ag1 122.1(4) . . ? C1 N2 C3 118.3(6) . 1_455 ? C1 N2 Ag4 120.9(5) . 4_465 ? C3 N2 Ag4 118.0(5) 1_455 4_465 ? O2 N3 O1 118.5(6) . . ? O2 N3 O3 120.9(7) . . ? O1 N3 O3 120.6(7) . . ? O4 N4 O6 121.3(8) . . ? O4 N4 O5 118.7(9) . . ? O6 N4 O5 120.0(7) . . ? O8 N5 O9 118.9(8) . . ? O8 N5 O7 120.1(7) . . ? O9 N5 O7 120.9(8) . . ? N3 O1 Ag4 103.4(4) . . ? N3 O1 Ag3 111.5(4) . 2_645 ? Ag4 O1 Ag3 144.9(2) . 2_645 ? N3 O3 Ag2 99.0(5) . 1_655 ? N4 O6 Ag3 117.5(5) . . ? N5 O7 Ag2 107.7(5) . . ? N5 O9 Ag1 100.3(6) . 4_566 ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N1 Ag1 Ag2 C6 -175.5(3) . . . . ? O9 Ag1 Ag2 C6 -33.4(5) 4_565 . . . ? C5 Ag1 Ag2 C6 17.1(3) . . . . ? Ag3 Ag1 Ag2 C6 -60.1(2) . . . . ? N1 Ag1 Ag2 O7 31(6) . . . . ? C6 Ag1 Ag2 O7 -154(6) . . . . ? O9 Ag1 Ag2 O7 173(6) 4_565 . . . ? C5 Ag1 Ag2 O7 -137(6) . . . . ? Ag3 Ag1 Ag2 O7 146(6) . . . . ? N1 Ag1 Ag2 O3 23.6(2) . . . 1_455 ? C6 Ag1 Ag2 O3 -160.9(3) . . . 1_455 ? O9 Ag1 Ag2 O3 165.6(5) 4_565 . . 1_455 ? C5 Ag1 Ag2 O3 -143.8(2) . . . 1_455 ? Ag3 Ag1 Ag2 O3 139.01(14) . . . 1_455 ? N1 Ag1 Ag2 Ag3 -115.41(15) . . . . ? C6 Ag1 Ag2 Ag3 60.1(2) . . . . ? O9 Ag1 Ag2 Ag3 26.6(5) 4_565 . . . ? C5 Ag1 Ag2 Ag3 77.17(16) . . . . ? N1 Ag1 Ag2 Ag4 -167.82(15) . . . . ? C6 Ag1 Ag2 Ag4 7.7(2) . . . . ? O9 Ag1 Ag2 Ag4 -25.8(5) 4_565 . . . ? C5 Ag1 Ag2 Ag4 24.76(16) . . . . ? Ag3 Ag1 Ag2 Ag4 -52.41(3) . . . . ? O7 Ag2 Ag3 C6 126.3(4) . . . . ? O3 Ag2 Ag3 C6 -119.8(3) 1_455 . . . ? Ag4 Ag2 Ag3 C6 61.4(2) . . . . ? Ag1 Ag2 Ag3 C6 -54.9(2) . . . . ? C6 Ag2 Ag3 O1W 175.6(3) . . . . ? O7 Ag2 Ag3 O1W -58.1(3) . . . . ? O3 Ag2 Ag3 O1W 55.7(3) 1_455 . . . ? Ag4 Ag2 Ag3 O1W -122.98(19) . . . . ? Ag1 Ag2 Ag3 O1W 120.71(19) . . . . ? C6 Ag2 Ag3 O1 62.1(3) . . . 2_655 ? O7 Ag2 Ag3 O1 -171.6(3) . . . 2_655 ? O3 Ag2 Ag3 O1 -57.7(3) 1_455 . . 2_655 ? Ag4 Ag2 Ag3 O1 123.54(19) . . . 2_655 ? Ag1 Ag2 Ag3 O1 7.23(19) . . . 2_655 ? C6 Ag2 Ag3 O6 -86.5(3) . . . . ? O7 Ag2 Ag3 O6 39.9(3) . . . . ? O3 Ag2 Ag3 O6 153.7(3) 1_455 . . . ? Ag4 Ag2 Ag3 O6 -25.02(18) . . . . ? Ag1 Ag2 Ag3 O6 -141.33(18) . . . . ? C6 Ag2 Ag3 Ag4 -61.4(2) . . . . ? O7 Ag2 Ag3 Ag4 64.9(3) . . . . ? O3 Ag2 Ag3 Ag4 178.7(2) 1_455 . . . ? Ag1 Ag2 Ag3 Ag4 -116.31(3) . . . . ? C6 Ag2 Ag3 Ag1 54.9(2) . . . . ? O7 Ag2 Ag3 Ag1 -178.8(3) . . . . ? O3 Ag2 Ag3 Ag1 -65.0(2) 1_455 . . . ? Ag4 Ag2 Ag3 Ag1 116.31(3) . . . . ? N1 Ag1 Ag3 C6 144.9(3) . . . . ? O9 Ag1 Ag3 C6 -111.8(4) 4_565 . . . ? C5 Ag1 Ag3 C6 -21.5(3) . . . . ? Ag2 Ag1 Ag3 C6 55.9(2) . . . . ? N1 Ag1 Ag3 O1W -10.4(3) . . . . ? C6 Ag1 Ag3 O1W -155.4(3) . . . . ? O9 Ag1 Ag3 O1W 92.8(4) 4_565 . . . ? C5 Ag1 Ag3 O1W -176.9(3) . . . . ? Ag2 Ag1 Ag3 O1W -99.5(2) . . . . ? N1 Ag1 Ag3 O1 -85.5(2) . . . 2_655 ? C6 Ag1 Ag3 O1 129.6(3) . . . 2_655 ? O9 Ag1 Ag3 O1 17.8(3) 4_565 . . 2_655 ? C5 Ag1 Ag3 O1 108.1(2) . . . 2_655 ? Ag2 Ag1 Ag3 O1 -174.52(14) . . . 2_655 ? N1 Ag1 Ag3 O6 -147.5(3) . . . . ? C6 Ag1 Ag3 O6 67.5(3) . . . . ? O9 Ag1 Ag3 O6 -44.3(4) 4_565 . . . ? C5 Ag1 Ag3 O6 46.0(3) . . . . ? Ag2 Ag1 Ag3 O6 123.4(2) . . . . ? N1 Ag1 Ag3 Ag2 89.06(17) . . . . ? C6 Ag1 Ag3 Ag2 -55.9(2) . . . . ? O9 Ag1 Ag3 Ag2 -167.7(3) 4_565 . . . ? C5 Ag1 Ag3 Ag2 -77.40(15) . . . . ? N1 Ag1 Ag3 Ag4 141.48(16) . . . . ? C6 Ag1 Ag3 Ag4 -3.5(2) . . . . ? O9 Ag1 Ag3 Ag4 -115.3(3) 4_565 . . . ? C5 Ag1 Ag3 Ag4 -24.98(15) . . . . ? Ag2 Ag1 Ag3 Ag4 52.42(3) . . . . ? C6 Ag2 Ag4 N2 146.9(3) . . . 4_666 ? O7 Ag2 Ag4 N2 -40.7(2) . . . 4_666 ? O3 Ag2 Ag4 N2 -88.9(6) 1_455 . . 4_666 ? Ag3 Ag2 Ag4 N2 87.58(17) . . . 4_666 ? Ag1 Ag2 Ag4 N2 139.86(17) . . . 4_666 ? O7 Ag2 Ag4 C6 172.3(3) . . . . ? O3 Ag2 Ag4 C6 124.1(7) 1_455 . . . ? Ag3 Ag2 Ag4 C6 -59.4(2) . . . . ? Ag1 Ag2 Ag4 C6 -7.1(2) . . . . ? C6 Ag2 Ag4 O1 -84.2(3) . . . . ? O7 Ag2 Ag4 O1 88.1(2) . . . . ? O3 Ag2 Ag4 O1 39.9(6) 1_455 . . . ? Ag3 Ag2 Ag4 O1 -143.57(14) . . . . ? Ag1 Ag2 Ag4 O1 -91.29(14) . . . . ? C6 Ag2 Ag4 Ag3 59.4(2) . . . . ? O7 Ag2 Ag4 Ag3 -128.31(17) . . . . ? O3 Ag2 Ag4 Ag3 -176.5(6) 1_455 . . . ? Ag1 Ag2 Ag4 Ag3 52.28(2) . . . . ? C6 Ag3 Ag4 N2 -175.8(3) . . . 4_666 ? O1W Ag3 Ag4 N2 -21.6(3) . . . 4_666 ? O1 Ag3 Ag4 N2 117.4(2) 2_655 . . 4_666 ? O6 Ag3 Ag4 N2 42.7(2) . . . 4_666 ? Ag2 Ag3 Ag4 N2 -117.13(16) . . . 4_666 ? Ag1 Ag3 Ag4 N2 -172.45(16) . . . 4_666 ? O1W Ag3 Ag4 C6 154.2(3) . . . . ? O1 Ag3 Ag4 C6 -66.9(3) 2_655 . . . ? O6 Ag3 Ag4 C6 -141.5(3) . . . . ? Ag2 Ag3 Ag4 C6 58.6(2) . . . . ? Ag1 Ag3 Ag4 C6 3.3(2) . . . . ? C6 Ag3 Ag4 O1 0.0(3) . . . . ? O1W Ag3 Ag4 O1 154.2(3) . . . . ? O1 Ag3 Ag4 O1 -66.9(2) 2_655 . . . ? O6 Ag3 Ag4 O1 -141.5(2) . . . . ? Ag2 Ag3 Ag4 O1 58.6(2) . . . . ? Ag1 Ag3 Ag4 O1 3.3(2) . . . . ? C6 Ag3 Ag4 Ag2 -58.6(2) . . . . ? O1W Ag3 Ag4 Ag2 95.5(2) . . . . ? O1 Ag3 Ag4 Ag2 -125.50(19) 2_655 . . . ? O6 Ag3 Ag4 Ag2 159.87(15) . . . . ? Ag1 Ag3 Ag4 Ag2 -55.31(3) . . . . ? N2 C3 C4 C2 -1.8(9) 1_655 . . 1_655 ? N2 C3 C4 C5 177.8(6) 1_655 . . . ? C3 C4 C5 C6 178(100) . . . . ? C2 C4 C5 C6 -2(6) 1_655 . . . ? C3 C4 C5 Ag1 -26.0(8) . . . . ? C2 C4 C5 Ag1 153.6(5) 1_655 . . . ? N1 Ag1 C5 C6 -87.2(10) . . . . ? O9 Ag1 C5 C6 133.6(4) 4_565 . . . ? Ag3 Ag1 C5 C6 33.8(4) . . . . ? Ag2 Ag1 C5 C6 -25.2(4) . . . . ? N1 Ag1 C5 C4 95.8(10) . . . . ? C6 Ag1 C5 C4 -177.0(8) . . . . ? O9 Ag1 C5 C4 -43.4(5) 4_565 . . . ? Ag3 Ag1 C5 C4 -143.2(5) . . . . ? Ag2 Ag1 C5 C4 157.9(5) . . . . ? C4 C5 C6 Ag2 -112(6) . . . . ? Ag1 C5 C6 Ag2 91.2(9) . . . . ? C4 C5 C6 Ag3 72(6) . . . . ? Ag1 C5 C6 Ag3 -84.9(6) . . . . ? C4 C5 C6 Ag1 157(6) . . . . ? C4 C5 C6 Ag4 -18(6) . . . . ? Ag1 C5 C6 Ag4 -175.4(4) . . . . ? O7 Ag2 C6 C5 88.6(10) . . . . ? O3 Ag2 C6 C5 -62.1(11) 1_455 . . . ? Ag3 Ag2 C6 C5 -177.2(11) . . . . ? Ag4 Ag2 C6 C5 99.6(10) . . . . ? Ag1 Ag2 C6 C5 -90.3(10) . . . . ? O7 Ag2 C6 Ag3 -94.2(3) . . . . ? O3 Ag2 C6 Ag3 115.1(3) 1_455 . . . ? Ag4 Ag2 C6 Ag3 -83.26(19) . . . . ? Ag1 Ag2 C6 Ag3 86.9(2) . . . . ? O7 Ag2 C6 Ag1 178.8(2) . . . . ? O3 Ag2 C6 Ag1 28.1(4) 1_455 . . . ? Ag3 Ag2 C6 Ag1 -86.9(2) . . . . ? Ag4 Ag2 C6 Ag1 -170.2(3) . . . . ? O7 Ag2 C6 Ag4 -11.0(4) . . . . ? O3 Ag2 C6 Ag4 -161.7(2) 1_455 . . . ? Ag3 Ag2 C6 Ag4 83.26(19) . . . . ? Ag1 Ag2 C6 Ag4 170.2(3) . . . . ? O1W Ag3 C6 C5 165.7(7) . . . . ? O1 Ag3 C6 C5 37.8(8) 2_655 . . . ? O6 Ag3 C6 C5 -59.0(8) . . . . ? Ag2 Ag3 C6 C5 177.7(9) . . . . ? Ag4 Ag3 C6 C5 -98.9(8) . . . . ? Ag1 Ag3 C6 C5 85.6(7) . . . . ? O1W Ag3 C6 Ag2 -12.0(8) . . . . ? O1 Ag3 C6 Ag2 -139.91(19) 2_655 . . . ? O6 Ag3 C6 Ag2 123.3(2) . . . . ? Ag4 Ag3 C6 Ag2 83.4(2) . . . . ? Ag1 Ag3 C6 Ag2 -92.2(2) . . . . ? O1W Ag3 C6 Ag1 80.1(7) . . . . ? O1 Ag3 C6 Ag1 -47.7(2) 2_655 . . . ? O6 Ag3 C6 Ag1 -144.57(19) . . . . ? Ag2 Ag3 C6 Ag1 92.2(2) . . . . ? Ag4 Ag3 C6 Ag1 175.6(3) . . . . ? O1W Ag3 C6 Ag4 -95.4(7) . . . . ? O1 Ag3 C6 Ag4 136.69(18) 2_655 . . . ? O6 Ag3 C6 Ag4 39.9(3) . . . . ? Ag2 Ag3 C6 Ag4 -83.4(2) . . . . ? Ag1 Ag3 C6 Ag4 -175.6(3) . . . . ? N1 Ag1 C6 C5 153.0(4) . . . . ? O9 Ag1 C6 C5 -51.6(5) 4_565 . . . ? Ag3 Ag1 C6 C5 -133.8(5) . . . . ? Ag2 Ag1 C6 C5 144.6(5) . . . . ? N1 Ag1 C6 Ag2 8.4(5) . . . . ? O9 Ag1 C6 Ag2 163.7(2) 4_565 . . . ? C5 Ag1 C6 Ag2 -144.6(5) . . . . ? Ag3 Ag1 C6 Ag2 81.6(2) . . . . ? N1 Ag1 C6 Ag3 -73.3(4) . . . . ? O9 Ag1 C6 Ag3 82.1(3) 4_565 . . . ? C5 Ag1 C6 Ag3 133.8(5) . . . . ? Ag2 Ag1 C6 Ag3 -81.6(2) . . . . ? N1 Ag1 C6 Ag4 -50.5(18) . . . . ? O9 Ag1 C6 Ag4 104.9(16) 4_565 . . . ? C5 Ag1 C6 Ag4 156.5(19) . . . . ? Ag3 Ag1 C6 Ag4 22.8(14) . . . . ? Ag2 Ag1 C6 Ag4 -58.9(15) . . . . ? N2 Ag4 C6 C5 141.5(5) 4_666 . . . ? O1 Ag4 C6 C5 -47.0(5) . . . . ? Ag2 Ag4 C6 C5 -144.3(6) . . . . ? Ag3 Ag4 C6 C5 133.1(5) . . . . ? N2 Ag4 C6 Ag2 -74.2(5) 4_666 . . . ? O1 Ag4 C6 Ag2 97.4(2) . . . . ? Ag3 Ag4 C6 Ag2 -82.6(2) . . . . ? N2 Ag4 C6 Ag3 8.4(6) 4_666 . . . ? O1 Ag4 C6 Ag3 180.0(2) . . . . ? Ag2 Ag4 C6 Ag3 82.6(2) . . . . ? N2 Ag4 C6 Ag1 -14.5(19) 4_666 . . . ? O1 Ag4 C6 Ag1 157.0(16) . . . . ? Ag2 Ag4 C6 Ag1 59.7(15) . . . . ? Ag3 Ag4 C6 Ag1 -22.9(15) . . . . ? N2 C1 N1 C2 -3.7(10) . . . . ? N2 C1 N1 Ag1 171.6(5) . . . . ? C4 C2 N1 C1 5.2(9) 1_455 . . . ? C4 C2 N1 Ag1 -170.0(5) 1_455 . . . ? C6 Ag1 N1 C1 -143.3(5) . . . . ? O9 Ag1 N1 C1 59.3(5) 4_565 . . . ? C5 Ag1 N1 C1 -79.8(10) . . . . ? Ag3 Ag1 N1 C1 165.4(4) . . . . ? Ag2 Ag1 N1 C1 -137.5(5) . . . . ? C6 Ag1 N1 C2 31.8(7) . . . . ? O9 Ag1 N1 C2 -125.5(5) 4_565 . . . ? C5 Ag1 N1 C2 95.4(10) . . . . ? Ag3 Ag1 N1 C2 -19.4(5) . . . . ? Ag2 Ag1 N1 C2 37.7(5) . . . . ? N1 C1 N2 C3 -0.6(10) . . . 1_455 ? N1 C1 N2 Ag4 159.9(5) . . . 4_465 ? O2 N3 O1 Ag4 -8.3(7) . . . . ? O3 N3 O1 Ag4 173.2(5) . . . . ? O2 N3 O1 Ag3 167.5(5) . . . 2_645 ? O3 N3 O1 Ag3 -10.9(8) . . . 2_645 ? N2 Ag4 O1 N3 -50.6(5) 4_666 . . . ? C6 Ag4 O1 N3 134.1(4) . . . . ? Ag2 Ag4 O1 N3 -179.6(4) . . . . ? Ag3 Ag4 O1 N3 134.1(4) . . . . ? N2 Ag4 O1 Ag3 136.0(4) 4_666 . . 2_645 ? C6 Ag4 O1 Ag3 -39.2(5) . . . 2_645 ? Ag2 Ag4 O1 Ag3 7.1(4) . . . 2_645 ? Ag3 Ag4 O1 Ag3 -39.2(5) . . . 2_645 ? O2 N3 O3 Ag2 -6.2(7) . . . 1_655 ? O1 N3 O3 Ag2 172.2(5) . . . 1_655 ? O4 N4 O6 Ag3 -0.6(10) . . . . ? O5 N4 O6 Ag3 178.4(5) . . . . ? C6 Ag3 O6 N4 22.0(6) . . . . ? O1W Ag3 O6 N4 -172.1(6) . . . . ? O1 Ag3 O6 N4 -81.9(6) 2_655 . . . ? Ag2 Ag3 O6 N4 76.2(6) . . . . ? Ag4 Ag3 O6 N4 53.4(5) . . . . ? Ag1 Ag3 O6 N4 -25.9(7) . . . . ? O8 N5 O7 Ag2 -10.3(11) . . . . ? O9 N5 O7 Ag2 167.9(9) . . . . ? C6 Ag2 O7 N5 98.5(8) . . . . ? O3 Ag2 O7 N5 -101.4(7) 1_455 . . . ? Ag3 Ag2 O7 N5 37.0(8) . . . . ? Ag4 Ag2 O7 N5 90.0(7) . . . . ? Ag1 Ag2 O7 N5 -109(6) . . . . ? O8 N5 O9 Ag1 -9.0(11) . . . 4_566 ? O7 N5 O9 Ag1 172.8(8) . . . 4_566 ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 26.99 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 2.244 _refine_diff_density_min -2.631 _refine_diff_density_rms 0.950