J. Morgado et al., PERYLENE DERIVATIVE CHARGE-TRANSFER SALTS - SYNTHESIS, CRYSTAL-STRUCTURE AND CHARACTERIZATION OF (PET)(3)[NI(MNT)(2)](2), Journal of materials chemistry, 7(12), 1997, pp. 2387-2392
(pet)(3)[Ni(mnt)(2)](2) single crystals, where pet = perilo [1,12-b,c,
d] thiophene and mnt = maleonitriledithiolate (cis-2,3-dimercapto-bute
ne-2,3-dinitrile), were obtained by electrocrystallisation from dichlo
romethane solutions of pet and the tetrabutylammonium salt of [Ni(mnt)
(2)](-). The crystal structure is triclinic, space group P1, with cell
parameters a=10.2972(9), b=11.5037(12), c=13.3297(10) Angstrom, alpha
=78.320(8) degrees, beta=87.096(7) degrees, gamma=87.785(8) degrees, Z
= 1 and consists of segregated stacks along a of partially oxidised p
et molecules arranged as trimers, (pet)(3)(2+), and dimerised [Ni(mnt)
(2)](-) anions; The electrical properties are typical of a semiconduct
or with room-temperature conductivity of ca. 9 S cm(-1) with an activa
tion energy of 168 meV, and the paramagnetic susceptibility is due to
a singlet-triplet type contribution of antiferromagnetically coupled p
airs of S = 1/2 spins of the [Ni(mnt)(2)](-) species with J/k(B) = -22
6 K.