Three-dimensional hydrogen-bonded supra-molecular assembly in tetrakis-(1,3,5-triaza-7-phosphaadamantane)copper(I) chloride hexa-hydrate

Abstract

The structure of the title compound, [Cu(PTA)4]Cl·6H2O (PTA is 1,3,5-triaza-7-phosphaadamantane, C6H12N3P), is composed of discrete monomeric [Cu(PTA)4]+ cations, chloride anions and uncoordinated water mol-ecules. The CuI atom exhibits tetra-hedral coordination geometry, involving four symmetry-equivalent P-bound PTA ligands. The structure is extended to a regular three-dimensional supra-molecular framework via numerous equivalent O - H⋯N hydrogen bonds between all solvent water mol-ecules (six per cation) and all PTA N atoms, thus simultaneously bridging each [Cu(PTA)4]+ cation with 12 neighbouring units in multiple directions. The study also shows that PTA can be a convenient ligand in crystal engineering for the construction of supra-molecular architectures.