#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005280.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_2005280 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 1933 _journal_page_last 1935 _publ_section_title ; (Thiocyanato-N)tris(triphenylphosphine)silver(I) Chloroform Solvate ; _chemical_formula_iupac '[Ag(N C S)(C18 H15 P)3 ], C H Cl3' _chemical_formula_sum 'C56 H46 Ag Cl3 N P3 S' _chemical_formula_weight 1072.13 _symmetry_cell_setting Triclinic loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 13.329(2) _cell_length_b 13.647(1) _cell_length_c 14.467(1) _cell_angle_alpha 89.70(1) _cell_angle_beta 79.47(1) _cell_angle_gamma 80.09(1) _cell_volume 2547.7(5) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.398 _cell_measurement_temperature 293(2) loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ag1 1 .24382(2) .69426(2) .70424(2) .0433(1) P1 1 .24790(7) .51601(6) .75764(6) .0406(2) P2 1 .13834(7) .82887(6) .82711(6) .0421(2) P3 1 .20026(7) .72535(6) .54053(6) .0401(2) C1 1 .1184(3) .4823(2) .7859(2) .0425(7) C2 1 .0536(3) .5070(3) .7223(3) .0542(9) H2 1 .0773(3) .5410(3) .6665(3) .08 C3 1 -.0460(3) .4843(3) .7389(4) .065(1) H3 1 -.0900(3) .5002(3) .6933(4) .08 C4 1 -.0807(4) .4381(4) .8205(4) .076(1) H4 1 -0.1492(4) .4223(4) .8328(4) .08 C5 1 -.0153(4) .4133(4) .8845(4) .074(1) H5 1 -.0395(4) .3821(4) .9419(4) .08 C6 1 .0819(3) .4361(3) .8683(3) .059(1) H6 1 .1266(3) .4183(3) .9130(3) .08 C7 1 .3164(3) .4212(3) .6692(2) .0417(7) C8 1 .4069(3) .4382(3) .6116(3) .062(1) H8 1 .4323(3) .4989(3) .6185(3) .08 C9 1 .4600(4) .3659(4) .5443(4) .078(1) H9 1 .5222(4) .3784(4) .5045(4) .08 C10 1 .4260(4) .2806(4) .5330(3) .069(1) H10 1 .4634(4) .2323(4) .4855(3) .08 C11 1 .3370(4) .2618(3) .5907(3) .065(1) H11 1 .3124(4) .2006(3) .5833(3) .08 C12 1 .2830(3) .3321(3) .6589(3) .0544(9) H12 1 .2222(3) .3182(3) .7000(3) .08 C13 1 .3068(3) .4790(3) .8595(2) .0452(7) C14 1 .3514(4) .3809(3) .8723(3) .058(1) H14 1 .3538(4) .3308(3) .8251(3) .08 C15 1 .3927(4) .3565(4) .9526(3) .071(1) H15 1 .4232(4) .2888(4) .9609(3) .08 C16 1 .3905(4) .4270(4) 1.0195(3) .076(1) H16 1 .4192(4) .4095(4) 1.0748(3) .08 C17 1 .3459(5) .5257(5) 1.0079(4) .091(2) H17 1 .3435(5) .5755(5) 1.0552(4) .08 C18 1 .3056(4) .5513(3) .9274(3) .069(1) H18 1 .2753(4) .6192(3) .9194(3) .08 C19 1 .0013(3) .8204(3) .8647(2) .0445(7) C20 1 -.0769(3) .9020(3) .8745(3) .060(1) H20 1 -.0606(3) .9676(3) .8646(3) .08 C21 1 -0.1810(3) .8893(4) .8991(4) .074(1) H21 1 -0.2351(3) .9466(4) .9056(4) .08 C22 1 -0.2049(4) .7970(4) .9130(4) .073(1) H22 1 -0.2762(4) .7894(4) .9293(4) .08 C23 1 -0.1278(4) .7152(4) .9044(3) .066(1) H23 1 -0.1452(4) .6501(4) .9149(3) .08 C24 1 -.0254(3) .7258(3) .8807(3) .0560(9) H24 1 .0282(3) .6682(3) .8753(3) .08 C25 1 .1887(3) .8236(2) .9358(3) .0466(8) C26 1 .1279(4) .8195(3) 1.0245(3) .060(1) H26 1 .0547(4) .8208(3) 1.0306(3) .08 C27 1 .1724(5) .8148(4) 1.1042(3) .076(1) H27 1 .1303(5) .8094(4) 1.1647(3) .08 C28 1 .2730(5) .8167(4) 1.0972(4) .087(2) H28 1 .3020(5) .8141(4) 1.1534(4) .08 C29 1 .3364(4) .8219(4) 1.0107(4) .078(1) H29 1 .4085(4) .8247(4) 1.0072(4) .08 C30 1 .2942(3) .8243(3) .9296(3) .062(1) H30 1 .3378(3) .8257(3) .8692(3) .08 C31 1 .1305(3) .9604(3) .7974(3) .0454(8) C32 1 .1398(3) 1.0327(3) .8598(3) .059(1) H32 1 .1562(3) 1.0144(3) .9202(3) .08 C33 1 .1260(4) 1.1325(3) .8347(4) .073(1) H33 1 .1332(4) 1.1826(3) .8782(4) .08 C34 1 .1019(4) 1.1582(3) .7493(4) .073(1) H34 1 .0909(4) 1.2271(3) .7331(4) .08 C35 1 .0936(4) 1.0866(3) .6865(4) .071(1) H35 1 .0783(4) 1.1050(3) .6258(4) .08 C36 1 .1088(4) .9871(3) .7095(3) .061(1) H36 1 .1022(4) .9370(3) .6657(3) .08 C37 1 .0639(3) .7195(2) .5426(2) .0429(7) C38 1 .0284(4) .6867(4) .4663(3) .066(1) H38 1 .0749(4) .6712(4) .4073(3) .08 C39 1 -.0765(4) .6780(4) .4760(4) .080(2) H39 1 -0.1011(4) .6532(4) .4240(4) .08 C40 1 -0.1440(3) .7041(3) .5580(4) .067(1) H40 1 -0.2156(3) .6982(3) .5637(4) .08 C41 1 -0.1090(3) .7388(4) .6342(3) .065(1) H41 1 -0.1564(3) .7583(4) .6920(3) .08 C42 1 -.0055(3) .7458(3) .6259(3) .0544(9) H42 1 .0188(3) .7690(3) .6789(3) .08 C43 1 .2658(3) .6479(3) .4375(2) .0441(7) C44 1 .3089(4) .6858(3) .3535(3) .067(1) H44 1 .3029(4) .7565(3) .3470(3) .08 C45 1 .3596(5) .6227(4) .2784(3) .081(2) H45 1 .3912(5) .6502(4) .2214(3) .08 C46 1 .3674(4) .5218(4) .2859(3) .073(1) H46 1 .4006(4) .4781(4) .2333(3) .08 C47 1 .3254(4) .4837(3) .3689(3) .069(1) H47 1 .3317(4) .4129(3) .3753(3) .08 C48 1 .2741(4) .5455(3) .4434(3) .0563(9) H48 1 .2437(4) .5172(3) .5004(3) .08 C49 1 .2171(3) .8495(3) .5004(3) .0481(8) C50 1 .3020(3) .8856(3) .5212(3) .0568(9) H50 1 .3460(3) .8479(3) .5592(3) .08 C51 1 .3242(4) .9765(3) .4851(4) .076(1) H51 1 .3827(4) 1.0017(3) .4993(4) .08 C52 1 .2611(5) 1.0304(4) .4326(5) .088(2) H52 1 .2780(5) 1.0916(4) .4065(5) .08 C53 1 .1760(5) .9970(4) .4146(5) .093(2) H53 1 .1294(5) 1.0365(4) .3801(5) .08 C54 1 .1535(4) .9060(3) .4487(4) .073(1) H54 1 .0948(4) .8813(3) .4342(4) .08 N1 1 .4128(3) .7185(3) .6988(3) .0641(9) C55 1 .4835(3) .7397(3) .7230(3) .0559(9) S1 1 .5859(1) .7679(1) .7567(1) .0858(4) C56 1 .4851(5) .0321(4) .7830(5) .093(2) H56 1 .5418(5) -.0228(4) .7755(5) .08 Cl1 1 .3948(2) .0104(2) .7154(2) .1388(8) Cl2 1 .5300(2) .1431(2) .7405(2) .1490(9) Cl3 1 .4293(4) .0500(3) .8981(2) .231(2)