data_2009042 _journal_name_full 'Acta Crystallographica' _journal_year 1999 _journal_volume C55 _journal_page_first 1623 _journal_page_last 1625 _publ_section_title ; A linear-chain silver(I) coordination polymer with tetrakis(isopropylthio)-p-benzoquinone ; loop_ _publ_author_name 'Suenaga, Yusaku' 'Kuroda-Sowa, Takayoshi' 'Maekawa, Masahiko' 'Munakata, Megumu' _chemical_formula_moiety 'C18 H28 Ag O2 S4 1+, Cl O4 1-, C3 H6 O' _chemical_formula_sum 'C21 H34 Ag Cl O7 S4 ' _chemical_formula_iupac '[Ag(C18H28O2S4)], ClO4, C3H6O' _chemical_formula_weight 670.06 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b c m' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,1/2+z' 'x,1/2-y,-z' '-x,1/2+y,1/2-z' '-x,-y,-z' 'x,y,1/2-z' '-x,1/2+y,z' 'x,1/2-y,1/2+z' _cell_length_a 8.668(4) _cell_length_b 18.944(2) _cell_length_c 18.1960(10) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2987.0(10) _cell_formula_units_Z 4 _cell_measurement_temperature 296.2 _exptl_crystal_density_diffrn 1.489 _diffrn_ambient_temperature 296.2 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type Ag(1) .27980(10) .2500 .5000 .0671(3) Uani Cl(1) .9112(5) .0737(2) .7500 .089(2) Uani S(1) .3515(3) .16350(10) .59960(10) .0600(7) Uani S(2) .0845(3) .20970(10) .39990(10) .0559(6) Uani O(1) .3740(10) .1066(4) .7500 .068(3) Uani O(2) -.0340(10) .1945(6) .2500 .064(3) Uani O(3) .7540(10) .0633(7) .7500 .132(6) Uani O(4) .978(2) .0101(7) .7500 .175(7) Uani O(5) .962(2) .1072(8) .6938(9) .311(9) Uani O(6) .539(2) .1403(9) .2500 .190(9) Uani C(1) .2718(9) .2021(4) .6796(4) .048(2) Uani C(2) .3150(10) .1645(6) .7500 .046(3) Uani C(3) .1602(8) .2484(4) .3204(3) .043(2) Uani C(4) .0850(10) .2267(5) .2500 .039(3) Uani C(5) .5590(10) .1579(6) .6177(5) .076(4) Uani C(6) .627(2) .1177(8) .5527(7) .141(6) Uani C(7) .6280(10) .2285(8) .6299(8) .127(6) Uani C(8) .1030(10) .1134(5) .3837(5) .072(3) Uani C(9) .268(2) .0922(6) .3759(8) .119(5) Uani C(10) .022(2) .0782(6) .4466(7) .127(5) Uani C(11) .617(3) .0870(10) .2500 .115(9) Uani C(12) .673(2) .0559(9) .1790(9) .165(7) Uani H(1) .6194 .1462 .5069 .1030 Uiso H(2) .7228 .1049 .5645 .1030 Uiso H(3) .5718 .0676 .5497 .1030 Uiso H(4) .7350 .2218 .6388 .1374 Uiso H(5) .6120 .2560 .5881 .1374 Uiso H(6) .5806 .2487 .6717 .1374 Uiso H(7) .2716 .0421 .3692 .1252 Uiso H(8) .3112 .1147 .3346 .1252 Uiso H(9) .3220 .1043 .4191 .1252 Uiso H(10) -.0811 .0927 .4472 .1307 Uiso H(11) .0288 .0285 .4395 .1307 Uiso H(12) .0727 .0907 .4908 .1307 Uiso H(13) .5730 .1306 .6608 .1374 Uiso H(14) .0510 .1022 .3394 .1307 Uiso H(15) .7327 .0147 .1894 .1967 Uiso H(16) .5853 .0434 .1513 .1967 Uiso H(17) .7328 .0896 .1550 .2003 Uiso 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 Ag(1) .0929(8) .0881(7) .0203(4) .0000 .0000 .0015(5) Cl(1) .076(3) .064(2) .129(4) .005(2) .0000 .0000 S(1) .083(2) .073(2) .0248(9) .0160(10) .0010(10) -.0060(10) S(2) .0670(10) .078(2) .0229(9) -.0110(10) .0080(10) .0040(10) O(1) .115(7) .046(5) .043(5) .028(5) .0000 .0000 O(2) .068(6) .091(7) .033(4) -.025(5) .0000 .0000 O(3) .074(9) .170(10) .160(10) .014(8) .0000 .0000 O(4) .130(10) .130(10) .27(2) .052(10) .0000 .0000 O(5) .230(10) .34(2) .36(2) -.130(10) -.030(10) .23(2) O(6) .22(2) .120(10) .22(2) .00(2) .0000 .0000 C(1) .070(6) .059(5) .015(4) .017(5) -.001(4) -.008(3) C(2) .075(9) .045(7) .019(5) -.001(7) .0000 .0000 C(3) .061(5) .050(4) .017(3) -.011(5) .005(3) -.005(4) C(4) .054(8) .047(7) .016(5) .002(6) .0000 .0000 C(5) .074(7) .106(8) .046(6) .020(6) .007(5) .014(6) C(6) .140(10) .190(10) .100(10) .090(10) .032(9) .010(10) C(7) .078(9) .170(10) .130(10) -.008(9) .003(9) .010(10) C(8) .110(8) .056(6) .050(6) -.027(6) -.008(6) .017(5) C(9) .130(10) .098(9) .130(10) .015(8) -.006(10) -.013(9) C(10) .190(10) .099(9) .091(9) -.049(9) .030(10) .026(8) C(11) .11(2) .10(2) .14(2) -.010(10) .0000 .0000 C(12) .150(10) .20(2) .150(10) .040(10) .050(10) .030(10) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag(1) S(1) 1_555 1_555 2.521(2) yes Ag(1) S(1) 1_555 3_556 2.521(2) no Ag(1) S(2) 1_555 1_555 2.601(2) yes Ag(1) S(2) 1_555 3_556 2.601(2) no Cl(1) O(3) 1_555 1_555 1.380(10) no Cl(1) O(4) 1_555 1_555 1.340(10) no Cl(1) O(5) 1_555 1_555 1.280(10) no Cl(1) O(5) 1_555 6_556 1.280(10) no S(1) C(1) 1_555 1_555 1.769(7) yes S(1) C(5) 1_555 1_555 1.830(10) yes S(2) C(3) 1_555 1_555 1.750(7) yes S(2) C(8) 1_555 1_555 1.854(10) yes O(1) C(2) 1_555 1_555 1.210(10) yes O(2) C(4) 1_555 1_555 1.200(10) yes O(6) C(11) 1_555 1_555 1.23(2) yes C(1) C(2) 1_555 1_555 1.512(9) yes C(1) C(3) 1_555 3_556 1.347(10) yes C(3) C(4) 1_555 1_555 1.494(9) yes C(5) C(6) 1_555 1_555 1.52(2) no C(5) C(7) 1_555 1_555 1.48(2) no C(8) C(9) 1_555 1_555 1.490(10) no C(8) C(10) 1_555 1_555 1.500(10) no C(11) C(12) 1_555 1_555 1.50(2) no C(11) C(12) 1_555 6_555 1.50(2) no C(5) H(13) 1_555 1_555 .95 no C(6) H(1) 1_555 1_555 1.00 no C(6) H(2) 1_555 1_555 .89 no C(6) H(3) 1_555 1_555 1.06 no C(7) H(4) 1_555 1_555 .95 no C(7) H(5) 1_555 1_555 .93 no C(7) H(6) 1_555 1_555 .95 no C(8) H(14) 1_555 1_555 .95 no C(9) H(7) 1_555 1_555 .96 no C(9) H(8) 1_555 1_555 .94 no C(9) H(9) 1_555 1_555 .94 no C(10) H(10) 1_555 1_555 .93 no C(10) H(11) 1_555 1_555 .95 no C(10) H(12) 1_555 1_555 .95 no C(12) H(15) 1_555 1_555 .96 no C(12) H(16) 1_555 1_555 .94 no C(12) H(17) 1_555 1_555 .93 no