Acta Cryst. (2008). E64, m603-m604  [ doi:10.1107/S1600536808008179 ]

Three-dimensional hydrogen-bonded supramolecular assembly in tetrakis(1,3,5-triaza-7-phosphaadamantane)copper(I) chloride hexahydrate

A. M. Kirillov, P. Smolenski, M. F. C. Guedes da Silva, M. N. Kopylovich and A. J. L. Pombeiro

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 molecules. The Cu^I atom exhibits tetrahedral coordination geometry, involving four symmetry-equivalent P-bound PTA ligands. The structure is extended to a regular three-dimensional supramolecular framework via numerous equivalent O-HN hydrogen bonds between all solvent water molecules (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 supramolecular architectures.

Online 2 April 2008

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