A new monoclinic crystal phase of [Bu4N][Ni(dmit)2]

Abstract

The crystal structure of the title compound, tetrabutylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III), [N(C4H9)4][Ni(C3S5)2], is the fourth known phase of this polymorphous compound. It is monoclinic space group P21/c, with a = 20.040(2) Å, b = 13.1151(17) Å, c = 12.1093(15) Å, = 105.456(15)°, and V = 3067.5(6) Å3 with Z = 4, for D calc = 1.503 g cm–3. The [Ni(dmit)2] anion packing arrangement consists of arrays of side-on touching anions and these arrays are connected via head-to-tail close S S contacts.