The preparation, X-ray crystal structure and theoretical study of [CoCp2][S3N3], (Cp = cyclopentadienyl), a novel stacking compound incorporating multiple C–H ⋯ N(pπ) interactions

Abstract
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 (pπ) interactions that result in the formation of continuous stacks of alternating cations and anions.

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