data_7051216 _journal_name_full 'New Journal of Chemistry' _journal_year 2001 loop_ _publ_author_name 'Atencio, Reinaldo' 'Briceno, Alexander' 'Cova, Briccyle' _publ_section_title ; An unusual harmonisation of metal-based assemblies to achieve a mesoporous solid. Synthesis and crystal structure of a new silver(I) isonicotinate array ; _chemical_name_common 'Silver Assembly' _chemical_formula_sum 'C12 H8.50 Ag1.50 N2 O4' _chemical_formula_weight 406.51 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/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 8.157(4) _cell_length_b 19.586(11) _cell_length_c 7.404(2) _cell_angle_alpha 90.00 _cell_angle_beta 92.80(3) _cell_angle_gamma 90.00 _cell_volume 1181.5(9) _cell_formula_units_Z 4 _cell_measurement_temperature 298(2) _exptl_crystal_density_diffrn 2.285 _diffrn_ambient_temperature 298(2) _refine_ls_R_factor_obs 0.0203 _refine_ls_wR_factor_obs 0.0520 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags Ag1 Ag 1.0000 0.0000 1.0000 0.0439(3) Uani 1 d S Ag2 Ag 0.64705(3) -0.22768(3) 0.22477(4) 0.0410(3) Uani 1 d . O3 O 0.8596(4) -0.2458(2) 0.0749(4) 0.0438(14) Uani 1 d . C12 C 0.9548(5) -0.1948(5) 0.0650(5) 0.020(3) Uani 1 d . O4 O 0.9298(3) -0.1358(3) 0.1121(4) 0.033(2) Uani 1 d . N1 N 0.8671(4) -0.0174(3) 0.7462(4) 0.027(2) Uani 1 d . C6 C 0.6001(5) -0.0455(4) 0.2371(5) 0.028(2) Uani 1 d . O2 O 0.5353(4) -0.1001(3) 0.2045(3) 0.035(2) Uani 1 d . N2 N 0.4212(4) -0.2549(3) 0.3511(4) 0.019(2) Uani 1 d U C11 C 0.3143(4) -0.2059(3) 0.3914(5) 0.028(2) Uani 1 d . H11 H 0.3428(4) -0.1604(3) 0.3744(5) 0.034 Uiso 1 calc R C4 C 0.7618(5) 0.0269(3) 0.4650(5) 0.030(2) Uani 1 d . H4 H 0.7488(5) 0.0640(3) 0.3872(5) 0.036 Uiso 1 calc R C7 C 0.3798(5) -0.3198(4) 0.3781(5) 0.022(3) Uani 1 d . H7 H 0.4539(5) -0.3540(4) 0.3513(5) 0.026 Uiso 1 calc R O1 O 0.5942(5) 0.0072(2) 0.1347(4) 0.053(2) Uani 1 d . H6 H 0.5000 0.0000 0.0000 0.063 Uiso 1 d S C3 C 0.6973(4) -0.0353(3) 0.4162(4) 0.020(2) Uani 1 d . C1 C 0.8057(6) -0.0789(4) 0.6985(6) 0.043(2) Uani 1 d . H1 H 0.8208(6) -0.1154(4) 0.7777(6) 0.052 Uiso 1 calc R C5 C 0.8460(5) 0.0343(3) 0.6299(5) 0.030(2) Uani 1 d . H5 H 0.8897(5) 0.0768(3) 0.6612(5) 0.036 Uiso 1 calc R C2 C 0.7205(6) -0.0890(4) 0.5342(5) 0.045(2) Uani 1 d . H2 H 0.6792(6) -0.1319(4) 0.5038(5) 0.054 Uiso 1 calc R C9 C 1.1186(4) -0.2124(4) -0.0142(4) 0.021(2) Uani 1 d U C8 C 0.2299(4) -0.3380(3) 0.4450(4) 0.025(2) Uani 1 d . H8 H 0.2045(4) -0.3838(3) 0.4622(4) 0.030 Uiso 1 calc R C10 C 0.1622(5) -0.2209(4) 0.4579(5) 0.028(3) Uani 1 d . H10 H 0.0900(5) -0.1859(4) 0.4834(5) 0.034 Uiso 1 calc R loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0540(3) 0.0461(10) 0.0296(2) -0.0077(2) -0.0208(2) 0.0098(3) Ag2 0.0233(2) 0.0534(8) 0.0472(2) -0.0035(2) 0.01301(12) -0.0022(2) O3 0.032(2) 0.034(5) 0.068(2) -0.013(2) 0.0212(13) -0.009(2) C12 0.026(2) 0.004(9) 0.029(2) -0.004(3) 0.0000(14) 0.002(3) O4 0.0340(15) 0.013(6) 0.053(2) -0.007(2) 0.0083(12) 0.005(2) N1 0.040(2) 0.011(6) 0.031(2) 0.002(2) -0.0105(13) 0.000(2) C6 0.029(2) 0.031(8) 0.025(2) 0.002(3) -0.0052(13) -0.006(3) O2 0.039(2) 0.027(5) 0.0363(14) 0.003(2) -0.0119(11) -0.010(2) N2 0.024(2) 0.001(6) 0.0307(13) 0.005(2) 0.0022(11) 0.001(2) C11 0.026(2) 0.022(7) 0.038(2) 0.003(2) 0.0058(14) 0.001(2) C4 0.042(2) 0.017(7) 0.030(2) 0.001(2) -0.0093(15) -0.004(3) C7 0.027(2) 0.006(9) 0.033(2) 0.001(3) 0.0050(13) 0.012(3) O1 0.089(3) 0.023(6) 0.041(2) 0.016(2) -0.036(2) -0.026(2) C3 0.029(2) 0.004(6) 0.027(2) 0.003(2) -0.0051(13) -0.004(2) C1 0.073(3) 0.011(8) 0.042(2) 0.015(3) -0.024(2) -0.013(4) C5 0.044(2) 0.006(7) 0.037(2) 0.000(3) -0.012(2) -0.004(3) C2 0.065(3) 0.026(7) 0.041(2) 0.010(3) -0.024(2) -0.018(3) C9 0.019(2) 0.020(7) 0.0247(15) -0.002(2) 0.0013(12) -0.003(2) C8 0.032(2) 0.006(7) 0.037(2) 0.006(2) 0.0046(14) 0.000(2) C10 0.028(2) 0.022(9) 0.035(2) 0.001(2) 0.0062(14) 0.004(3) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N1 2.151(3) ? yes Ag1 N1 2.151(3) 3_757 yes Ag2 O3 2.133(3) ? yes Ag2 N2 2.173(4) ? yes O3 C12 1.269(8) ? yes C12 O4 1.228(7) ? yes C12 C9 1.524(6) ? yes N1 C5 1.336(7) ? yes N1 C1 1.344(8) ? yes C6 O2 1.213(7) ? yes C6 O1 1.279(7) ? yes C6 C3 1.525(5) ? yes N2 C7 1.331(7) ? yes N2 C11 1.341(7) ? yes C11 C10 1.388(6) ? yes C4 C3 1.368(8) ? yes C4 C5 1.379(5) ? yes C7 C8 1.388(6) ? yes C3 C2 1.374(7) ? yes C1 C2 1.386(6) ? yes C9 C10 1.372(7) 4_655 yes C9 C8 1.385(7) 4_655 yes C8 C9 1.385(7) 4_456 yes C10 C9 1.372(7) 4_456 yes