CrystEngComm Pub Date: 1900-01-01 DOI: 10.1039/B111604E

Abstract

The tetrahedral tetrathiolate [Cd(MIMZ)4]2+ cations (MIMZ = 1-methylimidazolidine-2-thione, 1) in the crystal structures of [Cd(MIMZ)4](BPh4)2·2MeCN, 2, and [Cd(MIMZ)4](CF3SO3)2, 3, both exhibit unusual conformations in which two heterocyclic rings of the cation have overlapping parallel planes. In the structure of 2, the pair of parallel rings is encompassed by a tetra-aryl box, formed from pairs of BPh4– anions in the 'double-flipper' conformation. Similar boxes also surround two crystallographically independent pairs of MeCN molecules. In contrast, the structure of 3 involves more extensive cation–cation interactions than in 2, through edge-to-face interactions between the heterocyclic rings and S?S, C–H?S, N–H?S interactions. In addition, hydrogen bonding occurs between the cations and anions, as well as C–H?O interactions.

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