#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2011386.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_2011386 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first 1075 _journal_page_last 1076 _publ_section_title ; catena-poly[[Silver(I)-\m-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']]nitrate] ; loop_ _publ_author_name 'Tong, Ming-Liang' 'Chen, Xiao-Ming' _chemical_formula_moiety 'Ag, C12H10N2, NO3' _chemical_formula_sum 'C12 H10 Ag N3 O3' _chemical_formula_iupac '[Ag C12 H10 N2] + , N O3 -' _chemical_formula_weight 352.10 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/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 8.516(3) _cell_length_b 10.915(4) _cell_length_c 13.054(6) _cell_angle_alpha 90.00 _cell_angle_beta 95.310(10) _cell_angle_gamma 90.00 _cell_volume 1208.2(8) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.936 _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 .05989(3) .34643(3) .199478(19) .05313(14) Uani d . 1 . . Ag N1 -.0113(3) .3417(3) .3553(2) .0378(6) Uani d . 1 . . N N2 .6033(3) .1320(2) .5391(2) .0381(6) Uani d . 1 . . N C1 -.1542(4) .3853(3) .3727(3) .0454(8) Uani d . 1 . . C H1A -.2240 .4112 .3148 .080 Uiso d R 1 . . H C2 -.2040(4) .3957(3) .4693(3) .0485(9) Uani d . 1 . . C H2A -.3069 .4277 .4781 .080 Uiso d R 1 . . H C3 -.1058(5) .3587(3) .5523(3) .0516(9) Uani d . 1 . . C H3A -.1384 .3647 .6206 .080 Uiso d R 1 . . H C4 .0409(4) .3127(3) .5360(3) .0483(9) Uani d . 1 . . C H4A .1115 .2851 .5929 .080 Uiso d R 1 . . H C5 .0873(4) .3063(3) .4369(2) .0370(7) Uani d . 1 . . C C6 .2407(4) .2576(3) .4143(2) .0414(8) Uani d . 1 . . C H6A .2569 .2447 .3433 .080 Uiso d R 1 . . H C7 .3591(4) .2300(3) .4825(2) .0406(8) Uani d . 1 . . C H7A .3467 .2482 .5533 .080 Uiso d R 1 . . H C8 .5073(4) .1737(3) .4583(2) .0359(7) Uani d . 1 . . C C9 .5484(4) .1607(3) .3581(2) .0445(8) Uani d . 1 . . C H9A .4803 .1921 .3015 .080 Uiso d R 1 . . H C10 .6881(4) .1038(3) .3409(3) .0480(9) Uani d . 1 . . C H10A .7175 .0942 .2721 .080 Uiso d R 1 . . H C11 .7833(4) .0592(4) .4230(3) .0505(9) Uani d . 1 . . C H11A .8800 .0181 .4122 .080 Uiso d R 1 . . H C12 .7379(4) .0757(3) .5207(3) .0480(9) Uani d . 1 . . C H12A .8048 .0448 .5782 .080 Uiso d R 1 . . H N3 .4266(4) .5123(3) .2767(2) .0496(8) Uani d . 1 . . N O1 .2829(3) .5328(3) .2610(2) .0789(9) Uani d . 1 . . O O2 .4815(4) .4198(3) .2396(2) .0743(9) Uani d . 1 . . O O3 .5142(4) .5839(3) .3266(3) .0945(11) 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 .05061(18) .0805(2) .02771(15) .00475(16) .00050(10) .00141(14) N1 .0360(13) .0443(15) .0329(13) -.0055(12) .0029(10) .0005(12) N2 .0389(14) .0428(16) .0323(13) -.0032(12) .0012(11) .0023(11) C1 .0379(18) .047(2) .051(2) -.0006(15) .0036(15) .0020(16) C2 .045(2) .045(2) .058(2) -.0016(16) .0154(17) -.0029(17) C3 .058(2) .057(2) .0431(19) -.0047(19) .0195(17) -.0081(17) C4 .049(2) .062(2) .0347(17) -.0005(17) .0077(15) -.0007(16) C5 .0376(16) .0420(18) .0313(16) -.0052(14) .0020(13) -.0022(13) C6 .0437(18) .051(2) .0299(16) .0021(16) .0035(13) -.0004(14) C7 .0405(17) .052(2) .0292(15) -.0015(15) .0033(13) -.0038(14) C8 .0380(16) .0382(18) .0309(15) -.0084(14) .0003(12) .0004(13) C9 .0508(19) .051(2) .0312(16) -.0049(17) .0031(14) -.0011(16) C10 .053(2) .051(2) .0418(19) -.0018(17) .0154(16) -.0067(16) C11 .045(2) .055(2) .053(2) .0060(17) .0122(16) -.0013(18) C12 .045(2) .050(2) .047(2) .0039(16) -.0011(16) .0071(17) N3 .0516(19) .059(2) .0380(16) .0036(16) .0039(14) .0072(14) O1 .0528(18) .116(3) .0683(19) .0192(18) .0084(15) -.0126(19) O2 .082(2) .065(2) .074(2) .0249(17) -.0008(17) -.0039(16) O3 .092(3) .083(2) .102(3) -.012(2) -.021(2) -.020(2) 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 4_565 2.173(3) yes Ag1 N1 . 2.176(3) yes N1 C1 . 1.345(4) ? N1 C5 . 1.351(4) ? N2 C12 . 1.341(4) ? N2 C8 . 1.352(4) ? N2 Ag1 4_666 2.173(3) ? C1 C2 . 1.372(5) ? C2 C3 . 1.367(5) ? C3 C4 . 1.381(5) ? C4 C5 . 1.389(5) ? C5 C6 . 1.465(4) ? C6 C7 . 1.317(4) ? C7 C8 . 1.464(4) ? C8 C9 . 1.392(4) ? C9 C10 . 1.378(5) ? C10 C11 . 1.371(5) ? C11 C12 . 1.379(5) ? N3 O3 . 1.226(4) ? N3 O2 . 1.230(4) ? N3 O1 . 1.243(4) ?