X‐ray Crystal Structure and Electrical Conductivity of [Au(ppy)(C8H4S8)]2[PF6] [ppy = C‐deprotonated 2‐phenylpyridine(−); C8H4S82− = 2‐{(4,5‐ethylenedithio)‐1,3‐dithiol‐2‐ylidene}‐1,3‐dithiole‐4,5‐dithionate(2−)]

Abstract
Crystals of [Au(ppy)(C8H4S8)]2[PF6] [ppy = C‐deprotonated 2‐phenylpyridine(−); C8H4S82− = 2‐{(4,5‐ethylenedithio)‐1,3‐dithiol‐2‐ylidene}‐1,3‐dithiole‐4,5‐dithiolate(2−)] were prepared by current‐controlled electrolysis of a benzonitrile solution of [Au(ppy)(C8H4S8)] with [NEt4][PF6] as an electrolyte. The X‐ray crystal structure analysis revealed the formation of a columnar stacking of two crystallographically independent cations in formally the 0.5‐electron‐oxidized state. Cation moieties with some S−S non‐bonded contacts (< 3.7 Å) along the a and b axes form a two‐dimensional sheet, with the molecular interaction parallel to the ab plane. The electrical conductivities measured for a crystal at room temperature were 9.2 and 0.0028 S cm−1 along the a and c axes, respectively. From the activation energy for the electron conduction determined by the conductivities measured for a compacted pellet the complex was estimated to be metallic from room temperature to 110 K. The energy‐band calculation for the oxidized species showed two‐dimensional electron conduction through the column. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

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