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 CuI 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—H⋯N 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.
Highlights
The structure of the title compound, [Cu(PTA)4]ClÁ6H2O (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 study shows that PTA can be a convenient ligand in crystal engineering for the construction of supramolecular architectures
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2329)
Summary
Three-dimensional hydrogen-bonded supramolecular assembly in tetrakis(1,3,5-triaza-7-phosphaadamantane)copper(I) chloride hexahydrate. Key indicators: single-crystal X-ray study; T = 150 K; mean (N–C) = 0.003 A; R factor = 0.034; wR factor = 0.093; data-to-parameter ratio = 16.0. The structure of the title compound, [Cu(PTA)4]ClÁ6H2O (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 CuI 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—HÁ Á ÁN hydrogen bonds between all solvent water molecules (six per cation) and all PTA N atoms, simultaneously bridging each [Cu(PTA)4]+ cation with 12 neighbouring units in multiple directions. The study shows that PTA can be a convenient ligand in crystal engineering for the construction of supramolecular architectures
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
