THE PREPARATION, X-RAY CRYSTAL-STRUCTURE AND THEORETICAL-STUDY OF [COCP2][S3N3], (CP = CYCLOPENTADIENYL), A NOVEL STACKING COMPOUND INCORPORATING MULTIPLE C-H...N(P-PI) INTERACTIONS

Reaction of cobaltocene, [CoCp2], with S4N4 in tetrahydrofuran (thf) results in precipitation of the cobaltocenium salt [CoCp2][S3N3] 1 in good yield; the X-ray crystal structure together with theoretical calculations reveal an accumulation of unique C-H...N...H-C (p-pi) interactions that result in the formation of continuous stacks of alternating cations and anions.</p