data_2200300 _journal_name_full 'Acta Crystallographica, Section E' _journal_year 2001 _journal_volume 57 _journal_page_first m213 _journal_page_last m215 _publ_section_title ; Poly[[silver(I)-di-\m-1,5-bis(phenylthio)pentane] hexafluorophosphate]: a two-dimensional molecular-rectangle coordination ploymer ; loop_ _publ_author_name 'Chen, Wei' 'Du, Miao' 'Zhang, Ruo-Hua' 'Bu, Xian-He' _chemical_formula_moiety 'C34 H40 Ag S4 1+, F1 P6 1-' _chemical_formula_sum 'C34 H40 Ag F6 P S4' _chemical_formula_iupac '[Ag (C17 H20 S2)2] P F6' _chemical_formula_weight 829.74 _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P c' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' _cell_length_a 9.3876(10) _cell_length_b 10.2213(11) _cell_length_c 19.640(2) _cell_angle_alpha 90.00 _cell_angle_beta 103.161(2) _cell_angle_gamma 90.00 _cell_volume 1835.0(3) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.502 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 .82775(2) .80911(4) .101332(17) .06501(13) Uani d . 1 . . Ag S1 .65042(15) .83982(12) .18588(7) .0579(3) Uani d . 1 . . S S2 1.01890(15) .98886(14) .09152(8) .0675(3) Uani d . 1 . . S S3 .66147(15) .81643(12) -.02914(7) .0579(3) Uani d . 1 . . S S4 .90410(16) .56369(12) .11148(7) .0623(3) Uani d . 1 . . S C1 .8115(6) 1.3294(4) .1566(3) .0620(13) Uani d . 1 . . C H1A .9085 1.3122 .1851 .074 Uiso calc R 1 . . H H1B .8107 1.3015 .1093 .074 Uiso calc R 1 . . H C2 .7024(5) 1.2474(5) .1839(3) .0568(12) Uani d . 1 . . C H2A .6039 1.2691 .1587 .068 Uiso calc R 1 . . H H2B .7103 1.2666 .2330 .068 Uiso calc R 1 . . H C3 .7305(5) 1.1024(5) .1751(3) .0587(12) Uani d . 1 . . C H3A .7420 1.0875 .1279 .070 Uiso calc R 1 . . H H3B .8218 1.0786 .2070 .070 Uiso calc R 1 . . H C4 .6110(5) 1.0145(5) .1884(3) .0622(13) Uani d . 1 . . C H4A .5218 1.0331 .1538 .075 Uiso calc R 1 . . H H4B .5932 1.0355 .2340 .075 Uiso calc R 1 . . H C5 1.1425(7) .9614(6) .0341(3) .0732(15) Uani d . 1 . . C H5A 1.0869 .9679 -.0139 .088 Uiso calc R 1 . . H H5B 1.2146 1.0310 .0416 .088 Uiso calc R 1 . . H C6 .2207(9) .8343(6) .0428(4) .0859(19) Uani d . 1 . . C H6A .1505 .7637 .0304 .103 Uiso calc R 1 . . H H6B .2709 .8232 .0914 .103 Uiso calc R 1 . . H C7 .3346(7) .8268(6) -.0044(3) .0800(17) Uani d . 1 . . C H7A .2835 .8335 -.0531 .096 Uiso calc R 1 . . H H7B .4013 .9003 .0062 .096 Uiso calc R 1 . . H C8 .4188(7) .7043(6) .0062(3) .0781(16) Uani d . 1 . . C H8A .3507 .6316 -.0014 .094 Uiso calc R 1 . . H H8B .4729 .7007 .0545 .094 Uiso calc R 1 . . H C9 .5260(7) .6862(6) -.0408(4) .0760(16) Uani d . 1 . . C H9A .4724 .6844 -.0892 .091 Uiso calc R 1 . . H H9B .5755 .6029 -.0303 .091 Uiso calc R 1 . . H C10 .7846(5) .4737(5) .1560(3) .0609(13) Uani d . 1 . . C H10A .7998 .5048 .2038 .073 Uiso calc R 1 . . H H10B .6835 .4909 .1329 .073 Uiso calc R 1 . . H C11 .7558(6) .8124(4) .2727(3) .0522(11) Uani d . 1 . . C C12 .6872(7) .7749(6) .3243(3) .0745(16) Uani d . 1 . . C H12A .5865 .7617 .3142 .089 Uiso calc R 1 . . H C13 .7713(9) .7568(8) .3927(4) .0879(19) Uani d . 1 . . C H13A .7247 .7338 .4280 .105 Uiso calc R 1 . . H C14 .9164(8) .7716(6) .4082(3) .0797(17) Uani d . 1 . . C H14A .9703 .7572 .4535 .096 Uiso calc R 1 . . H C15 .9855(7) .8083(5) .3566(3) .0742(15) Uani d . 1 . . C H15A 1.0864 .8198 .3672 .089 Uiso calc R 1 . . H C16 .9063(6) .8281(5) .2897(3) .0632(14) Uani d . 1 . . C H16A .9543 .8525 .2551 .076 Uiso calc R 1 . . H C17 1.1472(5) 1.0094(4) .1724(3) .0538(11) Uani d . 1 . . C C22 1.1966(7) 1.1346(6) .1939(4) .0796(17) Uani d . 1 . . C H22A 1.1653 1.2067 .1655 .095 Uiso calc R 1 . . H C21 1.2938(9) 1.1502(8) .2586(5) .096(2) Uani d . 1 . . C H21A 1.3266 1.2336 .2734 .115 Uiso calc R 1 . . H C20 1.3409(7) 1.0475(8) .3000(4) .0859(18) Uani d . 1 . . C H20A 1.4048 1.0599 .3432 .103 Uiso calc R 1 . . H C19 1.2947(6) .9249(6) .2784(3) .0694(14) Uani d . 1 . . C H19A 1.3287 .8535 .3069 .083 Uiso calc R 1 . . H C18 1.1999(6) .9054(5) .2161(3) .0600(12) Uani d . 1 . . C H18A 1.1697 .8209 .2025 .072 Uiso calc R 1 . . H C23 1.0804(5) .5416(4) .1671(3) .0525(11) Uani d . 1 . . C C24 1.1081(7) .5607(5) .2386(3) .0673(14) Uani d . 1 . . C H24A 1.0319 .5811 .2598 .081 Uiso calc R 1 . . H C25 1.2486(9) .5493(6) .2782(4) .089(2) Uani d . 1 . . C H25A 1.2657 .5616 .3263 .106 Uiso calc R 1 . . H C26 1.3623(9) .5210(7) .2494(6) .105(3) Uani d . 1 . . C H26A 1.4569 .5145 .2769 .126 Uiso calc R 1 . . H C27 1.3339(8) .5017(8) .1771(6) .109(3) Uani d . 1 . . C H27A 1.4110 .4825 .1563 .131 Uiso calc R 1 . . H C28 1.1946(7) .5103(6) .1360(3) .0743(15) Uani d . 1 . . C H28A 1.1771 .4955 .0881 .089 Uiso calc R 1 . . H C29 .7866(6) .7618(5) -.0782(2) .0542(11) Uani d . 1 . . C C30 .8508(7) .8559(5) -.1128(3) .0655(14) Uani d . 1 . . C H30A .8211 .9427 -.1128 .079 Uiso calc R 1 . . H C31 .9583(8) .8215(6) -.1473(3) .0708(16) Uani d . 1 . . C H31A 1.0007 .8854 -.1699 .085 Uiso calc R 1 . . H C32 1.0026(8) .6954(6) -.1483(4) .0799(18) Uani d . 1 . . C H32A 1.0762 .6730 -.1708 .096 Uiso calc R 1 . . H C33 .9384(9) .6019(6) -.1160(4) .094(2) Uani d . 1 . . C H33A .9669 .5151 -.1179 .113 Uiso calc R 1 . . H C34 .8332(8) .6325(5) -.0808(3) .0759(16) Uani d . 1 . . C H34A .7923 .5670 -.0584 .091 Uiso calc R 1 . . H P1 .40746(18) .28600(16) .99063(8) .0720(4) Uani d . 1 . . P F1 .4883(6) .3998(5) 1.0371(3) .143(2) Uani d . 1 . . F F2 .2686(5) .3755(6) .9679(3) .1375(19) Uani d . 1 . . F F3 .3617(8) .2291(6) 1.0564(2) .147(2) Uani d . 1 . . F F4 .3258(7) .1702(5) .9455(3) .1329(19) Uani d . 1 . . F F5 .5460(7) .1968(5) 1.0122(3) .142(2) Uani d . 1 . . F F6 .4604(7) .3358(6) .9245(3) .151(2) Uani d . 1 . . F 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 .0744(3) .0620(2) .0589(2) .0054(2) .01552(18) .0024(2) S1 .0532(7) .0571(7) .0645(8) -.0050(5) .0158(6) -.0020(6) S2 .0499(7) .0826(9) .0721(8) .0012(6) .0185(6) .0160(7) S3 .0649(8) .0582(7) .0519(7) .0121(6) .0163(6) .0036(5) S4 .0703(8) .0547(7) .0600(7) .0078(6) .0107(6) .0086(6) C1 .059(3) .056(3) .071(3) .007(2) .015(3) .003(2) C2 .054(3) .054(3) .059(3) .004(2) .006(2) .004(2) C3 .051(3) .057(3) .069(3) .008(2) .014(2) .002(2) C4 .043(3) .072(3) .072(3) .010(2) .015(2) .010(3) C5 .068(4) .088(4) .066(3) -.004(3) .020(3) .014(3) C6 .101(5) .096(5) .062(3) .006(4) .022(4) -.001(3) C7 .085(5) .080(4) .078(4) -.001(3) .025(4) -.002(3) C8 .075(4) .084(4) .079(4) -.006(3) .025(3) -.001(3) C9 .066(4) .087(4) .080(4) -.009(3) .025(3) -.004(3) C10 .047(3) .054(3) .082(4) .005(2) .016(3) .003(2) C11 .054(3) .045(2) .062(3) .0037(19) .023(2) .000(2) C12 .063(4) .083(4) .084(4) -.004(3) .028(3) .010(3) C13 .103(6) .104(5) .066(4) .005(4) .039(4) .021(4) C14 .093(5) .072(4) .070(4) .012(3) .011(4) .003(3) C15 .063(4) .081(4) .077(4) .010(3) .012(3) .000(3) C16 .053(3) .068(3) .072(4) .003(2) .022(3) -.002(3) C17 .046(3) .057(3) .065(3) .001(2) .026(2) .010(2) C22 .068(4) .063(3) .117(5) .010(3) .040(4) .008(3) C21 .096(6) .086(5) .116(6) -.021(4) .047(5) -.045(5) C20 .075(4) .115(6) .074(4) -.003(4) .030(3) -.016(4) C19 .064(3) .085(4) .062(3) .005(3) .021(3) .002(3) C18 .060(3) .062(3) .063(3) -.005(2) .027(3) .003(2) C23 .057(3) .039(2) .064(3) .0033(19) .018(2) .003(2) C24 .081(4) .051(3) .067(3) -.002(2) .011(3) -.002(2) C25 .108(6) .062(3) .080(4) -.014(4) -.011(4) .002(3) C26 .063(5) .084(5) .152(8) -.008(3) -.005(5) .024(5) C27 .060(5) .105(5) .169(9) .016(4) .043(5) .029(6) C28 .076(4) .074(4) .080(4) .010(3) .032(3) .012(3) C29 .068(3) .057(3) .039(2) .006(2) .016(2) .002(2) C30 .079(4) .057(3) .060(3) -.005(3) .014(3) .003(3) C31 .083(4) .075(4) .062(3) -.011(3) .033(3) .003(3) C32 .091(5) .087(4) .076(4) .004(3) .049(4) -.009(3) C33 .139(6) .062(3) .099(5) .025(4) .062(5) -.003(3) C34 .104(5) .053(3) .083(4) .008(3) .047(4) .008(3) P1 .0735(10) .0870(10) .0523(8) -.0103(8) .0079(7) .0002(7) F1 .164(5) .106(3) .122(3) -.052(3) -.044(3) .016(3) F2 .093(3) .172(5) .133(4) .041(3) -.003(3) -.037(4) F3 .206(6) .159(4) .084(3) -.084(4) .053(3) -.007(3) F4 .157(5) .128(4) .093(3) -.013(3) -.013(3) -.034(3) F5 .141(5) .162(5) .107(3) .049(3) -.003(3) .026(3) F6 .135(4) .230(6) .097(3) .043(4) .045(3) .075(4) 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 S4 . 2.6040(13) yes Ag1 S2 . 2.6059(15) yes Ag1 S1 . 2.6241(14) yes Ag1 S3 . 2.6809(13) yes S1 C11 . 1.788(6) no S1 C4 . 1.827(5) no S2 C17 . 1.774(5) no S2 C5 . 1.814(6) no S3 C29 . 1.770(5) no S3 C9 . 1.819(6) no S4 C23 . 1.778(5) no S4 C10 . 1.821(5) no C1 C10 1_565 1.497(6) no C1 C2 . 1.513(7) no C1 H1A . .9700 no C1 H1B . .9700 no C2 C3 . 1.522(7) no C2 H2A . .9700 no C2 H2B . .9700 no C3 C4 . 1.506(7) no C3 H3A . .9700 no C3 H3B . .9700 no C4 H4A . .9700 no C4 H4B . .9700 no C5 C6 1_655 1.483(8) no C5 H5A . .9700 no C5 H5B . .9700 no C6 C5 1_455 1.483(8) no C6 C7 . 1.567(9) no C6 H6A . .9700 no C6 H6B . .9700 no C7 C8 . 1.470(9) no C7 H7A . .9700 no C7 H7B . .9700 no C8 C9 . 1.523(9) no C8 H8A . .9700 no C8 H8B . .9700 no C9 H9A . .9700 no C9 H9B . .9700 no C10 C1 1_545 1.497(6) no C10 H10A . .9700 no C10 H10B . .9700 no C11 C12 . 1.374(8) no C11 C16 . 1.385(8) no C12 C13 . 1.406(9) no C12 H12A . .9300 no C13 C14 . 1.335(10) no C13 H13A . .9300 no C14 C15 . 1.373(9) no C14 H14A . .9300 no C15 C16 . 1.370(9) no C15 H15A . .9300 no C16 H16A . .9300 no C17 C18 . 1.385(7) no C17 C22 . 1.394(8) no C22 C21 . 1.396(11) no C22 H22A . .9300 no C21 C20 . 1.339(11) no C21 H21A . .9300 no C20 C19 . 1.363(9) no C20 H20A . .9300 no C19 C18 . 1.353(8) no C19 H19A . .9300 no C18 H18A . .9300 no C23 C24 . 1.381(7) ? C23 C28 . 1.387(7) no C24 C25 . 1.376(9) no C24 H24A . .9300 no C25 C26 . 1.348(11) no C25 H25A . .9300 no C26 C27 . 1.398(11) no C26 H26A . .9300 no C27 C28 . 1.374(10) no C27 H27A . .9300 no C28 H28A . .9300 no C29 C30 . 1.392(8) no C29 C34 . 1.397(8) no C30 C31 . 1.382(8) no C30 H30A . .9300 no C31 C32 . 1.356(8) no C31 H31A . .9300 no C32 C33 . 1.360(9) no C32 H32A . .9300 no C33 C34 . 1.365(8) no C33 H33A . .9300 no C34 H34A . .9300 no P1 F1 . 1.564(5) no P1 F3 . 1.564(5) no P1 F5 . 1.566(5) no P1 F2 . 1.572(5) no P1 F4 . 1.570(5) no P1 F6 . 1.578(5) no