? 'C22 H16 N2 S1 Se2' ? 498.35 triclinic 'P -1' '-P 1' 'x,y,z' '-x,-y,-z' 8.586(8) 15.286(11) 15.606(8) 94.57(4) 92.31(4) 100.58(4) 4 2004(3) 'MoK\a' 0.71067 3.804 ? 1.652 25 ? ? 295(2) ? 'Red' 'Flat needle' 0.06 0.2 0.5 ? 'Enraf-Nonius CAD-4' '\w/2\q' 'empirical' 0.7 1. 11147 9951 ? 'refined using all independent reflection' 0.05 30 3 60 ? random -12 12 -21 21 -1 15 ' ' ? 0.2215 0.1576 0.895 0.007 'none' ? 488 9951 -0.715 0.813 'IntTabC' Se S C N H Se(1A) Se(2A) S(3A) C(4A) C(5A) C(6A) C(7A) C(8A) C(9A) C(10A) C(11A) C(12A) C(13A) C(14A) C(15A) C(16A) C(17A) C(18A) C(19A) C(20A) N(21A) C(22A) N(23A) C(24A) C(25A) C(26A) C(27A) Se(1B) Se(2B) S(3B) C(4B) C(5B) C(6B) C(7B) C(8B) C(9B) C(14B) C(13B) C(12B) C(11B) C(10B) C(15B) C(16B) C(17B) C(18B) C(19B) C(20B) N(21B) C(22B) N(23B) C(24B) C(25B) C(26B) C(27B) H(7A) H(10A) H(11A) H(12A) H(13A) H(14A) H(16A) H(17A) H(18A) H(19A) H(20A) H(21A) H(24A) H(25A) H(26A) H(27A) H(7B) H(10B) H(11B) H(12B) H(13B) H(14B) H(16B) H(17B) H(18B) H(19B) H(20B) H(21B) H(24B) H(25B) H(26B) H(27B) .48530(10) .67170(10) .8539(2) .7570(6) .6144(7) .5587(6) .4228(6) .3714(7) .2337(6) .1409(7) .0128(8) -.0255(8) .0604(7) .1893(7) .5245(6) .5193(7) .4361(7) .3630(7) .3670(8) .4454(7) .8086(6) .9429(7) .9228(7) 1.0458(10) 1.1878(9) 1.2084(8) 1.0859(8) -.09130(10) .10250(10) .2876(2) .2171(7) .0873(7) .0226(6) -.1041(6) -.1689(7) -.2936(7) -.3085(7) -.4268(8) -.5292(8) -.5164(8) -.4012(8) .0219(6) .0407(7) -.0233(8) -.1015(8) -.1177(8) -.0590(7) .2828(6) .4085(7) .3973(6) .5169(10) .6451(9) .6596(9) .5407(8) .3641(6) .1680(7) -.0505(8) -.1124(8) .0335(7) .2485(7) .5731(7) .4298(7) .3097(7) .3175(8) .4456(7) .7464(6) 1.0344(10) 1.2683(9) 1.3061(8) 1.0976(8) -.1470(6) -.2383(7) -.4364(8) -.6085(8) -.5874(8) -.3937(8) .0967(7) -.0115(8) -.1444(8) -.1679(8) -.0742(7) .2367(6) .5114(10) .7225(9) .7483(9) .5499(8) -.02530(10) .11910(10) .26680(10) .2982(4) .2423(4) .1587(4) .1001(4) .0153(4) -.0474(3) -.1108(4) -.1663(4) -.1657(5) -.1074(5) -.0483(4) .2726(4) .2353(4) .2653(5) .3357(5) .3760(5) .3442(4) .3764(3) .4426(4) .5200(4) .5859(5) .5815(5) .5019(6) .4304(5) -.06090(10) .07850(10) .22460(10) .2700(4) .2215(4) .1325(4) .0818(4) -.0057(4) -.0593(4) -.0420(4) -.0932(5) -.1616(5) -.1800(4) -.1308(4) .2668(4) .2423(4) .2846(5) .3515(5) .3793(5) .3359(4) .3547(3) .4167(4) .5001(4) .5645(5) .5530(6) .4691(6) .3981(5) .1204(4) -.1145(4) -.2058(4) -.2062(5) -.1070(5) -.0075(4) .1887(4) .2371(5) .3567(5) .4247(5) .3703(4) .3865(3) .6402(5) .6316(5) .4958(6) .3753(8) .1100(4) .0043(4) -.0809(5) -.1959(5) -.2268(4) -.1449(4) .1970(4) .2661(5) .3788(5) .4272(5) .3533(4) .3718(3) .6224(5) .6016(6) .4589(6) .3395(5) .20770(10) .22610(10) .22730(10) .1427(3) .1061(3) .1359(3) .0982(3) .1206(3) .0798(3) .1258(4) .0873(5) .0022(5) -.0459(4) -.0068(4) .0337(3) -.0488(3) -.1137(4) -.0975(4) -.0163(4) .0503(4) .1068(3) .1246(4) .0970(4) .1086(5) .1473(5) .1726(4) .1626(4) .28910(10) .27260(10) .27030(10) .3589(3) .3991(3) .3690(3) .4084(3) .3846(3) .4300(4) .5184(4) .5598(4) .5154(5) .4299(5) .3874(4) .4747(3) .5557(4) .6247(4) .6131(5) .5328(5) .4624(4) .3952(3) .3732(4) .4021(4) .3882(5) .3461(6) .3185(5) .3334(5) .0552(3) .1835(4) .1197(5) -.0232(5) -.1042(4) -.0397(4) -.0614(3) -.1691(4) -.1423(4) -.0056(4) .1062(4) .0657(3) .0885(5) .1562(5) .1969(4) .1806(4) .4543(3) .5495(4) .6184(4) .5438(5) .4000(5) .3288(4) .5653(4) .6796(4) .6595(5) .525 .4074(4) .4397(3) .4095(5) .3360(6) .2898(5) .3170(5) .0650(10) .0500(10) .0480(10) .0380(10) .0390(10) .0340(10) .0370(10) .0350(10) .0360(10) .049(2) .057(2) .060(2) .054(2) .044(2) .0360(10) .043(2) .056(2) .058(2) .059(2) .046(2) .0470(10) .046(2) .060(2) .072(2) .068(2) .067(2) .058(2) .0590(10) .0450(10) .0500(10) .0410(10) .0370(10) .0340(10) .0390(10) .0370(10) .0380(10) .042(2) .056(2) .062(2) .060(2) .050(2) .0370(10) .048(2) .066(2) .061(2) .064(2) .053(2) .0540(10) .047(2) .059(2) .078(2) .083(2) .083(2) .070(2) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .086 .082 .08 .069 .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .051(4) .093 .1 .1 .084