Intermolecular interactions in the structure of new molecular semiconductor [Pd(dddt)(2)](2)CF3SO3

摘要

An X-ray structural investigation of a new molecular semiconductor, [Pd(dddt)(2)](2)CF3SO3 (1), where dddt(2-) is 5,6-dihydro-1,4-dithiin-2,3-dithiolate, is made. Crystal data of 1: a = 6.521(7) Angstrom, b = 8.354(3) Angstrom, c = 16.113(6) Angstrom, alpha = 87.12(4)degrees, beta = 85.51(6)degrees, gamma = 67.94(7)degrees, V = 811(1) Angstrom(3), triclinic, space group P (1) over bar. Crystal structure 1 is characterized by layers of [Pd(dddt)(2)](1/2+) radical cations, with [CF3SO3](-) anions located between them. In these layers, [Pd(dddt)(2)](1/2+) cations form dimers with strongly shortened intermolecular contacts Pd...Pd 3.031(2) Angstrom. The [CF3SO3](-) anion in the structure of 1 is disordered. (C) 1998 Elsevier Science S.A. All rights reserved. [References: 17]