#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2010655.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2010655 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first 165 _journal_page_last 167 _publ_section_title ; Bis(4-aminopyridine)silver(I)nitrate and tris(2,6-diaminopyridine)silver(I)nitrate ; loop_ _publ_author_name 'Kristiansson, Olof' _chemical_formula_sum 'C15 H21 Ag N10 O3' _chemical_formula_weight 497.29 _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' 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' _cell_length_a 8.9276(7) _cell_length_b 11.1291(9) _cell_length_c 19.7562(15) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1962.9(3) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.683 _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 .25781(2) .906800(16) .890818(8) .04821(7) Uani d . 1 . . Ag N1 .20668(19) .69940(17) .92146(9) .0396(5) Uani d . 1 . . N N2 .0435(3) .6636(2) .83339(13) .0569(7) Uani d . 1 . . N H2A .0739 .7291 .8149 .068 Uiso calc R 1 . . H H2B -.0238 .6206 .8137 .068 Uiso calc R 1 . . H N3 .3762(3) .7418(2) 1.00625(13) .0619(6) Uani d . 1 . . N H3A .4029 .8041 .9835 .074 Uiso calc R 1 . . H H3B .4183 .7261 1.0444 .074 Uiso calc R 1 . . H C1 .2651(3) .6667(2) .98144(11) .0425(5) Uani d . 1 . . C C2 .2155(3) .5695(2) 1.01815(13) .0537(7) Uani d . 1 . . C H2 .2517 .5534 1.0613 .064 Uiso calc R 1 . . H C3 .1083(3) .4961(2) .98760(16) .0583(8) Uani d . 1 . . C H3 .0739 .4281 1.0101 .070 Uiso calc R 1 . . H C4 .0542(3) .5229(2) .92576(14) .0509(7) Uani d . 1 . . C H4 -.0142 .4722 .9047 .061 Uiso calc R 1 . . H C5 .1020(2) .6276(2) .89383(12) .0391(5) Uani d . 1 . . C N11 .1056(2) 1.04105(19) .93975(10) .0413(5) Uani d . 1 . . N N12 .0502(3) 1.1212(3) .83489(14) .0696(9) Uani d . 1 . . N H12A .1142 1.0723 .8176 .084 Uiso calc R 1 . . H H12B .0020 1.1702 .8093 .084 Uiso calc R 1 . . H N13 .1712(3) .9651(3) 1.04435(11) .0719(8) Uani d . 1 . . N H13A .2302 .9159 1.0240 .086 Uiso calc R 1 . . H H13B .1645 .9640 1.0878 .086 Uiso calc R 1 . . H C11 .0898(3) 1.0437(3) 1.00840(14) .0495(7) Uani d . 1 . . C C12 -.0060(3) 1.1250(3) 1.03973(14) .0604(8) Uani d . 1 . . C H12 -.0131 1.1272 1.0867 .073 Uiso calc R 1 . . H C13 -.0893(3) 1.2014(3) 1.00115(18) .0675(9) Uani d . 1 . . C H13 -.1562 1.2540 1.0217 .081 Uiso calc R 1 . . H C14 -.0748(3) 1.2008(3) .93232(16) .0594(8) Uani d . 1 . . C H14 -.1308 1.2529 .9057 .071 Uiso calc R 1 . . H C15 .0252(3) 1.1209(2) .90300(13) .0477(6) Uani d . 1 . . C N21 .4794(2) .91718(18) .83581(9) .0373(4) Uani d . 1 . . N N22 .4608(3) 1.1251(2) .84209(14) .0598(8) Uani d . 1 . . N H22A .3774 1.1171 .8634 .072 Uiso calc R 1 . . H H22B .4954 1.1957 .8337 .072 Uiso calc R 1 . . H N23 .4955(3) .7096(2) .83155(14) .0569(7) Uani d . 1 . . N H23A .4122 .7053 .8533 .068 Uiso calc R 1 . . H H23B .5412 .6449 .8196 .068 Uiso calc R 1 . . H C21 .5550(3) .8186(2) .81608(12) .0412(6) Uani d . 1 . . C C22 .6914(3) .8252(3) .78223(15) .0569(8) Uani d . 1 . . C H22 .7425 .7559 .7696 .068 Uiso calc R 1 . . H C23 .7486(4) .9371(2) .76800(15) .0637(7) Uani d . 1 . . C H23 .8383 .9438 .7444 .076 Uiso calc R 1 . . H C24 .6750(3) 1.0383(3) .78819(15) .0588(8) Uani d . 1 . . C H24 .7149 1.1141 .7799 .071 Uiso calc R 1 . . H C25 .5385(3) 1.0253(2) .82144(13) .0414(6) Uani d . 1 . . C N4 -.2330(2) .41597(18) .78434(9) .0437(4) Uani d . 1 . . N O1 -.3116(3) .3419(2) .81126(12) .0965(9) Uani d . 1 . . O O2 -.1363(2) .3861(2) .74148(11) .0757(7) Uani d . 1 . . O O3 -.2468(3) .52299(15) .79814(9) .0618(5) 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 .05157(11) .05046(11) .04259(10) .00398(12) .00858(10) -.00002(8) N1 .0396(11) .0371(11) .0421(10) -.0036(8) .0045(8) -.0004(8) N2 .0667(15) .0538(17) .0501(15) -.0138(12) -.0094(12) .0035(12) N3 .0663(15) .0487(15) .0707(16) -.0084(12) -.0259(13) .0037(12) C1 .0405(13) .0387(12) .0482(12) .0027(12) -.0006(12) -.0027(9) C2 .0608(18) .0517(16) .0485(14) .0038(13) -.0019(12) .0097(11) C3 .0589(17) .0418(17) .074(2) -.0092(13) .0041(15) .0168(14) C4 .0477(15) .0425(16) .0625(18) -.0118(12) .0030(13) .0018(13) C5 .0386(11) .0378(13) .0409(13) -.0009(9) .0061(11) -.0025(11) N11 .0406(11) .0433(12) .0399(12) -.0025(9) -.0003(9) -.0049(9) N12 .0756(17) .083(2) .0504(16) .0142(16) .0038(13) .0160(16) N13 .0746(17) .105(2) .0361(14) .0257(16) -.0043(11) -.0005(13) C11 .0427(14) .0593(17) .0464(15) -.0036(12) -.0043(12) -.0094(13) C12 .0658(18) .070(2) .0451(16) .0038(16) .0024(13) -.0239(14) C13 .0631(19) .054(2) .085(2) .0112(15) .0077(17) -.0266(17) C14 .0639(19) .0444(17) .070(2) .0087(14) -.0059(15) -.0006(14) C15 .0501(13) .0421(16) .0509(17) -.0094(11) -.0007(12) .0006(11) N21 .0414(9) .0350(11) .0356(10) -.0005(10) .0012(8) -.0012(9) N22 .0737(17) .0324(15) .073(2) -.0059(12) .0148(14) -.0080(13) N23 .0550(14) .0364(14) .0793(18) .0033(11) .0217(13) .0037(12) C21 .0425(14) .0386(15) .0426(14) .0003(11) -.0014(11) .0017(11) C22 .0435(15) .0518(18) .076(2) .0074(12) .0146(13) -.0008(15) C23 .0422(13) .0629(18) .0859(19) -.0066(17) .0182(17) .0092(14) C24 .0520(17) .0486(17) .076(2) -.0114(14) .0054(14) .0043(15) C25 .0459(14) .0357(14) .0427(14) -.0012(11) -.0013(11) -.0023(11) N4 .0526(12) .0428(11) .0357(9) -.0016(14) -.0087(10) .0009(8) O1 .135(2) .0707(16) .0834(16) -.0463(15) .0098(14) .0215(13) O2 .0661(13) .0861(18) .0749(15) .0173(12) .0076(11) -.0242(13) O3 .0741(12) .0378(10) .0736(12) -.0011(13) .0029(13) -.0109(8) 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 N11 . 2.239(2) y Ag1 N21 . 2.2601(18) y Ag1 N1 . 2.4295(19) y N2 C5 . 1.363(3) y N1 C1 . 1.345(3) y N1 C5 . 1.345(3) y C5 C4 . 1.392(3) n C1 C2 . 1.376(3) n C1 N3 . 1.386(3) y C23 C24 . 1.364(4) n C23 C22 . 1.374(4) n C22 C21 . 1.392(4) n C2 C3 . 1.396(4) n C24 C25 . 1.392(4) n C3 C4 . 1.347(4) n N11 C15 . 1.354(3) n N11 C11 . 1.364(3) n N13 C11 . 1.341(4) n C15 N12 . 1.364(3) n C15 C14 . 1.386(4) n C11 C12 . 1.390(4) n C14 C13 . 1.366(4) n C13 C12 . 1.363(4) n N21 C25 . 1.345(3) n N21 C21 . 1.346(3) n C25 N22 . 1.371(4) n N23 C21 . 1.359(3) n O3 N4 . 1.228(2) n N4 O1 . 1.206(3) n N4 O2 . 1.254(3) n