A highly symmetric lattice of tightly packed supramolecular interactions of [Fe(phen)3]2+ with [HgI3]?, [ClHgI3]2?, and Cl?

CrystEngComm Pub Date: 2002-06-19 DOI: 10.1039/B203120E

Abstract

The crystal structure and crystal packing of {[Fe(phen)3]2+}3{[ClHgI3]2?}2[HgI3]?Cl?, 1, are described. The [Fe(phen)3]2+ cations have selected three different anions from those in equilibrium in the crystallisation solution. The lattice has high symmetry (P[3 with combining macron]1c), making repeated use of supramolecular motifs based on C–H?Cl?/I? interactions on the edges of phen ligands, and of I??phen face interactions. The efficiency of the crystal packing is evident from (a) the involvement of all molecular surfaces in significant motifs, (b) the repetition of favourable motifs, (c) the absence of solvent, and (d) the absence of disorder. Despite this, the conditions for reproducible crystallisation of this compound have not been secured, despite many attempts, and evidently the lattice stability of 1 is challenged by alternative associations of [Fe(phen)3]2+ with anions from the equilibrium mixture.

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