data_2200215 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2001 _journal_volume 57 _journal_page_first m59 _journal_page_last m61 _publ_section_title ; catena-Poly[[silver(I)-\m-{bis[4-(2-pyridylmethyleneamino)phenyl] ether}] triflate 0.4-hydrate]: a zigzag coordination polymer ; loop_ _publ_author_name 'Vallina, Ana Tesouro' 'Stoeckli-Evans, Helen' _chemical_formula_moiety 'C24 H18 Ag1 N4 O1 1+, C F3 S O3 1-, 0.4H2 O' _chemical_formula_sum 'C25 H18.80 Ag F3 N4 O4.40 S' _chemical_formula_iupac '[Ag (C24 H18 N4 O1)] C F3 S O3, 0.4H2 O' _chemical_formula_weight 642.57 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P c c a' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z' 'x+1/2, -y, -z+1/2' '-x, y, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z' '-x-1/2, y, z-1/2' 'x, -y, z-1/2' _cell_length_a 15.3582(15) _cell_length_b 11.6957(12) _cell_length_c 14.8253(12) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2663.0(4) _cell_formula_units_Z 4 _cell_measurement_temperature 153(2) _exptl_crystal_density_diffrn 1.603 _diffrn_ambient_temperature 153(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 .7500 .5000 .64168(3) .0382(2) Uani d S 1 . . Ag N1 .7594(4) .6742(4) .7105(2) .0338(11) Uani d . 1 . . N N2 .8527(3) .6080(4) .5617(3) .0287(10) Uani d . 1 . . N O1 1.0000 .4247(5) .2500 .0415(15) Uani d S 1 . . O C1 .7181(3) .7080(6) .7858(4) .0447(17) Uani d . 1 . . C H1A .6717 .6624 .8083 .054 Uiso calc R 1 . . H C2 .7404(5) .8069(6) .8319(4) .0549(17) Uani d . 1 . . C H2A .7081 .8293 .8836 .066 Uiso calc R 1 . . H C3 .8096(5) .8731(6) .8029(5) .069(2) Uani d . 1 . . C H3A .8273 .9390 .8356 .082 Uiso calc R 1 . . H C4 .8533(4) .8399(6) .7234(5) .0575(19) Uani d . 1 . . C H4A .9002 .8838 .7000 .069 Uiso calc R 1 . . H C5 .8251(4) .7397(5) .6799(4) .0389(15) Uani d . 1 . . C C6 .8706(3) .7018(5) .5974(4) .0392(14) Uani d . 1 . . C H6A .9140 .7493 .5712 .047 Uiso calc R 1 . . H C7 .8942(3) .5692(6) .4806(4) .0307(15) Uani d . 1 . . C C8 .9567(3) .6326(5) .4334(3) .0319(14) Uani d . 1 . . C H8A .9743 .7055 .4548 .038 Uiso calc R 1 . . H C9 .9928(3) .5880(5) .3548(4) .0343(13) Uani d . 1 . . C H9A 1.0355 .6299 .3223 .041 Uiso calc R 1 . . H C10 .9657(3) .4827(7) .3251(3) .0339(17) Uani d . 1 . . C C11 .9037(3) .4185(5) .3715(3) .0352(14) Uani d . 1 . . C H11A .8853 .3460 .3497 .042 Uiso calc R 1 . . H C12 .8697(3) .4636(5) .4503(4) .0334(17) Uani d . 1 . . C H12A .8286 .4203 .4839 .040 Uiso calc R 1 . . H S1 1.0000 1.0000 .5000 .0868(8) Uani d S 1 . . S O11 1.0041(8) .8998(9) .5497(9) .072(4) Uani d P .50 . . O O12 1.0658(7) 1.0826(12) .5313(10) .102(4) Uani d P .50 . . O O13 1.0113(9) .992(3) .5894(6) .135(5) Uani d P .50 . . O C13 .8949(12) 1.0804(15) .5496(16) .092(6) Uani d P .50 . . C F11 .8997(8) 1.0975(12) .6330(7) .134(5) Uani d P .50 . . F F12 .8792(8) 1.1742(10) .5092(8) .122(4) Uani d P .50 . . F F13 .8285(7) 1.0104(14) .5319(9) .144(4) Uani d P .50 . . F O1W 1.0000 1.138(3) .7500 .165(12) Uani d SP .40 . . 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 .0413(3) .0496(4) .0237(3) -.0154(5) .000 .000 N1 .033(3) .043(3) .026(2) -.008(3) .001(3) -.0021(19) N2 .033(2) .038(3) .015(2) .000(2) -.0015(18) -.001(2) O1 .039(3) .066(4) .019(3) .000 .009(2) .000 C1 .039(3) .066(5) .029(3) -.003(3) .006(2) -.002(3) C2 .054(4) .063(4) .048(4) -.006(4) .019(4) -.016(3) C3 .077(5) .058(5) .071(5) -.017(4) .025(4) -.032(4) C4 .058(4) .045(4) .069(5) -.013(4) .028(3) -.022(4) C5 .045(4) .040(4) .032(3) .001(3) .012(3) -.002(3) C6 .045(3) .041(4) .032(3) -.003(3) .017(3) .003(3) C7 .025(3) .048(4) .019(3) -.002(3) .002(2) .004(3) C8 .032(3) .047(4) .016(3) -.002(3) -.006(2) .006(3) C9 .027(3) .058(4) .018(3) -.006(3) .004(3) .004(3) C10 .027(2) .060(6) .015(2) .008(3) .0011(18) -.008(4) C11 .028(3) .052(4) .026(4) -.001(3) -.001(2) .000(3) C12 .029(3) .051(5) .020(3) -.007(3) .008(2) -.001(3) S1 .131(2) .067(2) .0629(18) -.025(3) -.0046(15) .008(3) O11 .087(8) .027(6) .102(10) -.019(6) .017(7) .014(6) O12 .081(9) .092(10) .134(12) -.047(7) .016(8) -.028(9) O13 .141(10) .220(19) .043(7) .012(19) -.004(6) .010(17) C13 .094(14) .060(12) .123(18) -.050(11) -.019(12) .033(13) F11 .177(11) .164(12) .061(7) .058(9) .043(7) -.006(7) F12 .184(12) .061(7) .121(9) .008(7) -.056(8) .031(7) F13 .109(7) .097(9) .227(12) -.012(10) -.027(7) .021(13) O1W .26(3) .15(3) .076(16) .000 .077(19) .000 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 N1 . 2.283(4) yes Ag1 N1 2_665 2.283(4) ? Ag1 N2 2_665 2.343(4) ? Ag1 N2 . 2.343(4) yes N1 C1 . 1.344(7) ? N1 C5 . 1.345(7) ? N2 C6 . 1.249(7) ? N2 C7 . 1.435(7) ? O1 C10 . 1.406(6) ? O1 C10 4_755 1.406(6) ? C1 C2 . 1.386(8) ? C2 C3 . 1.383(9) ? C3 C4 . 1.410(9) ? C4 C5 . 1.406(9) ? C5 C6 . 1.477(8) ? C7 C12 . 1.368(8) ? C7 C8 . 1.400(7) ? C8 C9 . 1.391(7) ? C9 C10 . 1.373(9) ? C10 C11 . 1.395(8) ? C11 C12 . 1.383(7) ? S1 O13 5_776 1.340(10) ? S1 O13 . 1.340(10) ? S1 O11 . 1.385(11) ? S1 O11 5_776 1.385(11) ? S1 O12 5_776 1.473(11) ? S1 O12 . 1.473(11) ? S1 C13 5_776 2.01(2) ? S1 C13 . 2.01(2) ? O11 O13 . 1.23(2) ? O11 O12 5_776 1.624(17) ? O12 O13 . 1.60(2) ? O12 O11 5_776 1.624(17) ? C13 F11 . 1.25(2) ? C13 F12 . 1.273(19) ? C13 F13 . 1.333(18) ?