THE CRYSTAL STRUCTURE OF BEDT-TTFPd（dmit）2 （H2dmit=4,5-dimercapto-1,3-dithiole-2-thione）

摘要

＜正＞ C16H8PdS18, Mr=984.6, triclinic, Pl, a=6.6889（20）, b=7.3824（21）, c=15.0945（38）A; α=92.098（23）°,β=97.958（22）°, r=109.269（22）°, V=694.14（33）A3, Z=1; μ（MoKα）=19.68 cm-1. F（000）=437.98, room temperature, R=0.042, Rw=0.041 for 1865 independent diffractions. Planar BEDT-TTF and Pd（dmit）a stack along b axis separately. The separation between BEDT-TTFs is 6.74A, that between Pd（dimt）a planes 6.53A. This feature of BEDT-TTF[Pd（dimt）2] stacking may be used to explain the semiconducting character of the title compound.