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

Kirillov AM, Smoleński P, Guedes da Silva MF, Kopylovich MN, Pombeiro AJ - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The Cu(I) 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.

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ABSTRACT
The structure of the title compound, [Cu(PTA)(4)]Cl·6H(2)O (PTA is 1,3,5-triaza-7-phosphaadamantane, C(6)H(12)N(3)P), is composed of discrete monomeric [Cu(PTA)(4)](+) cations, chloride anions and uncoordinated water mol-ecules. The Cu(I) 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.

No MeSH data available.


Related in: MedlinePlus

Fragment of the crystal packing diagram of (I) (view along the a axis) showing the extensive hydrogen bonding interactions (pale blue dashed lines) resulting in the formation of a regular three-dimensional H-bonded supramolecular assembly. H atoms are omitted for clarity. Cu, green; P, orange; N, blue; C, grey; O, red (balls); Cl, yellow (balls).
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Fap3: Fragment of the crystal packing diagram of (I) (view along the a axis) showing the extensive hydrogen bonding interactions (pale blue dashed lines) resulting in the formation of a regular three-dimensional H-bonded supramolecular assembly. H atoms are omitted for clarity. Cu, green; P, orange; N, blue; C, grey; O, red (balls); Cl, yellow (balls).


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

Kirillov AM, Smoleński P, Guedes da Silva MF, Kopylovich MN, Pombeiro AJ - Acta Crystallogr Sect E Struct Rep Online (2008)

Fragment of the crystal packing diagram of (I) (view along the a axis) showing the extensive hydrogen bonding interactions (pale blue dashed lines) resulting in the formation of a regular three-dimensional H-bonded supramolecular assembly. H atoms are omitted for clarity. Cu, green; P, orange; N, blue; C, grey; O, red (balls); Cl, yellow (balls).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961253&req=5

Fap3: Fragment of the crystal packing diagram of (I) (view along the a axis) showing the extensive hydrogen bonding interactions (pale blue dashed lines) resulting in the formation of a regular three-dimensional H-bonded supramolecular assembly. H atoms are omitted for clarity. Cu, green; P, orange; N, blue; C, grey; O, red (balls); Cl, yellow (balls).
Bottom Line: The Cu(I) 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.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The structure of the title compound, [Cu(PTA)(4)]Cl·6H(2)O (PTA is 1,3,5-triaza-7-phosphaadamantane, C(6)H(12)N(3)P), is composed of discrete monomeric [Cu(PTA)(4)](+) cations, chloride anions and uncoordinated water mol-ecules. The Cu(I) 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.

No MeSH data available.


Related in: MedlinePlus