Crystal Structure and Molecular Structure of Neutral Nickel Bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate), Ni(dddt)2

Abstract
Neutral species of multi-sulfur 1,2-dithiolene complex, Ni(dddt)2 (dddt=5,6-dihydro-1,4-dithiin-2,3-dithiolate), was synthesized and the crystal structure has been determined. Crystals are monoclinic, space group P21⁄c, with Z=4, a=18.350(10), b=4.672(1), c=20.326(12) Å, β=125.56(3)°, V=1417(1) Å3. The structure was solved by the Patterson method, and refined by a block-diagonal least-squares method to R=0.081 for 1316 unique reflections. Two independent molecules of Ni(dddt)2 are stacked along the b-axis separately, with interplanar distances of 3.76 Å and 3.74 Å, respectively.