data_2012610 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2002 _journal_volume 58 _journal_page_first m228 _journal_page_last m229 _publ_section_title ; Bis(3,5-dimethylpyrazole-\kN^2^)silver(I) nitrate ; loop_ _publ_author_name 'Mohamed, Ahmed A.' 'Fackler, John P. Jr' _chemical_formula_moiety 'C10 H16 Ag N4 1+, N1 O3 1-' _chemical_formula_sum 'C10 H16 Ag N5 O3' _chemical_formula_iupac '[Ag (C5 H7 N2)2] (N O3)' _chemical_formula_weight 362.15 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.0300(10) _cell_length_b 11.3360(10) _cell_length_c 13.656(2) _cell_angle_alpha 90.99(2) _cell_angle_beta 109.47(2) _cell_angle_gamma 101.01(3) _cell_volume 1431.4(3) _cell_formula_units_Z 4 _cell_measurement_temperature 213(2) _exptl_crystal_density_diffrn 1.680 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Ag1 1.13535(4) 1.11512(3) 1.37322(3) 0.04379(13) Uani d . 1 . . Ag Ag2 0.63916(4) 0.63958(3) 0.88521(3) 0.03984(13) Uani d . 1 . . Ag N1 1.0365(4) 1.2331(3) 1.1675(3) 0.0347(9) Uani d . 1 . . N H1D 0.9995 1.1620 1.1360 0.042 Uiso calc R 1 . . H N2 1.1037(4) 1.2546(3) 1.2720(3) 0.0354(9) Uani d . 1 . . N N3 1.1544(4) 0.9791(3) 1.4786(3) 0.0360(9) Uani d . 1 . . N N4 1.2254(4) 1.0088(3) 1.5825(3) 0.0344(9) Uani d . 1 . . N H4A 1.2754 1.0795 1.6088 0.041 Uiso calc R 1 . . H N5 0.6696(4) 0.8963(3) 0.8080(3) 0.0343(9) Uani d . 1 . . N H5D 0.7234 0.9255 0.8702 0.041 Uiso calc R 1 . . H N6 0.6055(4) 0.7774(3) 0.7813(3) 0.0344(9) Uani d . 1 . . N N7 0.6555(4) 0.4905(3) 0.9781(3) 0.0308(8) Uani d . 1 . . N N8 0.5927(4) 0.3762(3) 0.9345(3) 0.0321(9) Uani d . 1 . . N H8B 0.5543 0.3570 0.8684 0.039 Uiso calc R 1 . . H N9 0.8795(4) 0.9419(3) 1.0669(3) 0.0369(9) Uani d . 1 . . N N10 0.4473(5) 0.2894(3) 0.6684(3) 0.0448(11) Uani d . 1 . . N C1 0.9633(5) 1.3317(4) 1.0038(4) 0.0431(12) Uani d . 1 . . C H1A 0.9323 1.2495 0.9740 0.065 Uiso calc R 1 . . H H1B 1.0308 1.3750 0.9745 0.065 Uiso calc R 1 . . H H1C 0.8810 1.3687 0.9889 0.065 Uiso calc R 1 . . H C2 1.0339(5) 1.3344(3) 1.1184(4) 0.0345(10) Uani d . 1 . . C C3 1.1050(5) 1.4272(4) 1.1957(4) 0.0393(12) Uani d . 1 . . C H3A 1.1226 1.5092 1.1867 0.047 Uiso calc R 1 . . H C4 1.1453(5) 1.3747(4) 1.2893(4) 0.0378(11) Uani d . 1 . . C C5 1.2211(6) 1.4338(4) 1.3974(4) 0.0595(15) Uani d . 1 . . C H5A 1.2601 1.3758 1.4429 0.089 Uiso calc R 1 . . H H5B 1.1538 1.4649 1.4214 0.089 Uiso calc R 1 . . H H5C 1.2982 1.4988 1.3975 0.089 Uiso calc R 1 . . H C6 0.9983(6) 0.7969(4) 1.3669(4) 0.0533(14) Uani d . 1 . . C H6A 0.9880 0.8529 1.3143 0.080 Uiso calc R 1 . . H H6B 0.9047 0.7611 1.3692 0.080 Uiso calc R 1 . . H H6C 1.0428 0.7350 1.3507 0.080 Uiso calc R 1 . . H C7 1.0908(5) 0.8621(3) 1.4707(4) 0.0342(10) Uani d . 1 . . C C8 1.1223(5) 0.8199(3) 1.5690(4) 0.0357(11) Uani d . 1 . . C H8A 1.0911 0.7422 1.5845 0.043 Uiso calc R 1 . . H C9 1.2088(5) 0.9157(3) 1.6391(3) 0.0339(10) Uani d . 1 . . C C10 1.2773(5) 0.9259(4) 1.7547(4) 0.0475(12) Uani d . 1 . . C H10A 1.2827 1.0058 1.7822 0.071 Uiso calc R 1 . . H H10B 1.3730 0.9102 1.7729 0.071 Uiso calc R 1 . . H H10C 1.2204 0.8683 1.7834 0.071 Uiso calc R 1 . . H C11 0.4445(6) 0.6525(4) 0.6212(4) 0.0555(14) Uani d . 1 . . C H11A 0.4780 0.5874 0.6594 0.083 Uiso calc R 1 . . H H11B 0.4536 0.6465 0.5536 0.083 Uiso calc R 1 . . H H11C 0.3450 0.6482 0.6134 0.083 Uiso calc R 1 . . H C12 0.5330(5) 0.7697(4) 0.6788(4) 0.0365(11) Uani d . 1 . . C C13 0.5519(5) 0.8837(4) 0.6418(4) 0.0429(12) Uani d . 1 . . C H13A 0.5129 0.9026 0.5734 0.051 Uiso calc R 1 . . H C14 0.6394(5) 0.9622(3) 0.7262(4) 0.0347(10) Uani d . 1 . . C C15 0.6953(5) 1.0954(4) 0.7378(4) 0.0481(13) Uani d . 1 . . C H15A 0.7970 1.1133 0.7771 0.072 Uiso calc R 1 . . H H15B 0.6454 1.1341 0.7736 0.072 Uiso calc R 1 . . H H15C 0.6795 1.1245 0.6701 0.072 Uiso calc R 1 . . H C16 0.5368(5) 0.1645(3) 0.9785(4) 0.0451(13) Uani d . 1 . . C H16A 0.4720 0.1515 0.9076 0.068 Uiso calc R 1 . . H H16B 0.4853 0.1341 1.0238 0.068 Uiso calc R 1 . . H H16C 0.6142 0.1230 0.9861 0.068 Uiso calc R 1 . . H C17 0.5975(5) 0.2966(3) 1.0065(3) 0.0316(10) Uani d . 1 . . C C18 0.6648(5) 0.3622(3) 1.1019(4) 0.0336(10) Uani d . 1 . . C H18A 0.6837 0.3325 1.1671 0.040 Uiso calc R 1 . . H C19 0.6992(4) 0.4824(3) 1.0811(3) 0.0307(10) Uani d . 1 . . C C20 0.7729(5) 0.5900(4) 1.1576(4) 0.0451(12) Uani d . 1 . . C H20A 0.7756 0.6615 1.1211 0.068 Uiso calc R 1 . . H H20B 0.8698 0.5826 1.1964 0.068 Uiso calc R 1 . . H H20C 0.7207 0.5951 1.2045 0.068 Uiso calc R 1 . . H O1 0.8255(4) 0.8369(3) 1.0302(3) 0.0665(12) Uani d . 1 . . O O2 0.9716(4) 0.9676(3) 1.1554(3) 0.0578(10) Uani d . 1 . . O O3 0.8419(4) 1.0251(3) 1.0123(3) 0.0540(10) Uani d . 1 . . O O4 0.4103(5) 0.2569(4) 0.5752(3) 0.0844(14) Uani d . 1 . . O O5 0.5410(5) 0.3810(3) 0.7099(3) 0.0757(13) Uani d . 1 . . O O6 0.3939(4) 0.2258(3) 0.7247(3) 0.0588(10) Uani d . 1 . . O loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag1 0.0531(3) 0.0446(2) 0.0421(2) 0.01650(16) 0.02301(19) 0.01914(16) Ag2 0.0406(2) 0.03845(19) 0.0433(3) 0.01120(15) 0.01593(18) 0.01510(16) N1 0.037(2) 0.0322(17) 0.033(2) 0.0043(15) 0.0118(17) 0.0027(16) N2 0.040(2) 0.0368(18) 0.031(2) 0.0104(15) 0.0134(17) 0.0078(16) N3 0.038(2) 0.0372(18) 0.030(2) 0.0061(15) 0.0085(17) 0.0041(16) N4 0.034(2) 0.0302(16) 0.033(2) 0.0034(14) 0.0047(17) 0.0013(16) N5 0.034(2) 0.0366(17) 0.031(2) 0.0072(15) 0.0086(17) 0.0029(16) N6 0.034(2) 0.0335(17) 0.036(2) 0.0073(15) 0.0120(17) 0.0052(16) N7 0.034(2) 0.0287(16) 0.030(2) 0.0054(14) 0.0120(17) 0.0012(15) N8 0.034(2) 0.0316(16) 0.027(2) 0.0053(14) 0.0074(16) -0.0030(15) N9 0.038(2) 0.0362(18) 0.036(2) 0.0047(16) 0.0140(18) -0.0028(17) N10 0.059(3) 0.0337(19) 0.034(3) 0.0085(18) 0.007(2) -0.0021(18) C1 0.043(3) 0.046(2) 0.038(3) 0.012(2) 0.009(2) 0.011(2) C2 0.034(3) 0.035(2) 0.038(3) 0.0118(18) 0.014(2) 0.010(2) C3 0.048(3) 0.030(2) 0.039(3) 0.0069(19) 0.014(2) 0.007(2) C4 0.037(3) 0.039(2) 0.039(3) 0.0062(19) 0.017(2) 0.003(2) C5 0.067(4) 0.061(3) 0.042(3) 0.004(3) 0.012(3) -0.004(3) C6 0.058(3) 0.051(3) 0.039(3) -0.001(2) 0.010(3) -0.008(2) C7 0.034(3) 0.035(2) 0.034(3) 0.0065(18) 0.013(2) 0.0015(19) C8 0.036(3) 0.032(2) 0.042(3) 0.0058(17) 0.016(2) 0.008(2) C9 0.034(3) 0.036(2) 0.033(3) 0.0112(18) 0.010(2) 0.0057(19) C10 0.047(3) 0.057(3) 0.036(3) 0.013(2) 0.010(2) 0.009(2) C11 0.058(4) 0.049(3) 0.051(4) 0.003(2) 0.013(3) -0.007(2) C12 0.038(3) 0.039(2) 0.035(3) 0.0118(19) 0.014(2) 0.004(2) C13 0.046(3) 0.051(3) 0.032(3) 0.019(2) 0.009(2) 0.011(2) C14 0.030(2) 0.037(2) 0.042(3) 0.0108(18) 0.016(2) 0.011(2) C15 0.053(3) 0.040(2) 0.057(3) 0.016(2) 0.023(3) 0.010(2) C16 0.052(3) 0.031(2) 0.047(3) 0.0027(19) 0.013(2) -0.003(2) C17 0.032(2) 0.0303(19) 0.034(3) 0.0075(17) 0.013(2) 0.0041(18) C18 0.036(3) 0.037(2) 0.030(3) 0.0099(18) 0.012(2) 0.0049(19) C19 0.030(2) 0.0330(19) 0.032(3) 0.0087(17) 0.013(2) 0.0026(18) C20 0.047(3) 0.039(2) 0.044(3) 0.006(2) 0.011(2) -0.007(2) O1 0.077(3) 0.0333(16) 0.070(3) -0.0009(16) 0.008(2) -0.0077(17) O2 0.060(2) 0.063(2) 0.037(2) 0.0139(17) -0.0003(18) -0.0058(17) O3 0.071(3) 0.0379(16) 0.044(2) 0.0144(16) 0.0070(18) 0.0064(15) O4 0.124(4) 0.080(3) 0.030(2) 0.001(2) 0.012(2) -0.007(2) O5 0.097(3) 0.0482(19) 0.060(3) -0.022(2) 0.019(2) -0.0059(18) O6 0.066(3) 0.0550(19) 0.060(3) 0.0025(17) 0.034(2) 0.0043(18) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag1 N2 . 2.119(3) y Ag1 N3 . 2.120(3) y Ag1 O2 . 3.140(3) ? Ag1 Ag2 . 8.0395(8) ? Ag2 N6 . 2.127(3) y Ag2 N7 . 2.129(3) y N1 C2 . 1.340(5) ? N1 N2 . 1.354(5) ? N1 H1D . 0.8600 ? N2 C4 . 1.337(5) ? N3 C7 . 1.342(5) ? N3 N4 . 1.361(5) ? N4 C9 . 1.336(5) ? N4 H4A . 0.8600 ? N5 C14 . 1.337(5) ? N5 N6 . 1.364(4) ? N5 H5D . 0.8600 ? N6 C12 . 1.338(5) ? N7 C19 . 1.337(5) ? N7 N8 . 1.357(4) ? N8 C17 . 1.343(5) ? N8 H8B . 0.8600 ? N9 O1 . 1.230(4) ? N9 O2 . 1.241(4) ? N9 O3 . 1.249(4) ? N10 O4 . 1.230(5) ? N10 O5 . 1.238(5) ? N10 O6 . 1.242(5) ? C1 C2 . 1.484(6) ? C1 H1A . 0.9600 ? C1 H1B . 0.9600 ? C1 H1C . 0.9600 ? C2 C3 . 1.379(6) ? C3 C4 . 1.388(6) ? C3 H3A . 0.9300 ? C4 C5 . 1.493(6) ? C5 H5A . 0.9600 ? C5 H5B . 0.9600 ? C5 H5C . 0.9600 ? C6 C7 . 1.498(6) ? C6 H6A . 0.9600 ? C6 H6B . 0.9600 ? C6 H6C . 0.9600 ? C7 C8 . 1.388(6) ? C8 C9 . 1.377(6) ? C8 H8A . 0.9300 ? C9 C10 . 1.489(6) ? C10 H10A . 0.9600 ? C10 H10B . 0.9600 ? C10 H10C . 0.9600 ? C11 C12 . 1.489(6) ? C11 H11A . 0.9600 ? C11 H11B . 0.9600 ? C11 H11C . 0.9600 ? C12 C13 . 1.398(6) ? C13 C14 . 1.372(6) ? C13 H13A . 0.9300 ? C14 C15 . 1.493(5) ? C15 H15A . 0.9600 ? C15 H15B . 0.9600 ? C15 H15C . 0.9600 ? C16 C17 . 1.495(5) ? C16 H16A . 0.9600 ? C16 H16B . 0.9600 ? C16 H16C . 0.9600 ? C17 C18 . 1.376(6) ? C18 C19 . 1.399(5) ? C18 H18A . 0.9300 ? C19 C20 . 1.490(6) ? C20 H20A . 0.9600 ? C20 H20B . 0.9600 ? C20 H20C . 0.9600 ?