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Journal of Structural Chemistry

2010 year, number 6

MOLECULAR STRUCTURE OF A COORDINATION COMPOUND TRIS(PHENANTHROLINE)ZINC(II) 2,2′-BIPYRIDYL-5,5′-DICARBOXYLATE DODECAHYDRATE

E.-JU. Gao, Q.-T. Liu
Keywords: crystal structure, 1, 10-phenanthroline, 2, 2?-bipyridyl-5, 5?-dicarboxylic acid, ПЂ-ПЂ interactions, water clusters
Pages: 1167-1173

Abstract

The [Zn(phen)3](2,2′-Bipy-5,5′-dicarboxylate)·12H2O complex is synthesized and its crystal structure is determined by single crystal X-ray crystallography. The crystals of the coordination compound have a monoclinic unit cell with parameters a = 12.2533(14) Å, b = 18.976(2) Å, c = 22.426(3) Å, β =105.675(2)°, V = 5020.54(300) Å3, Z = 4, P21/n space group. The environment of the Zn atom is a distorted octahedron of six N atoms belonging to three coordinated phen molecules. In the structure, π-π interactions between phen molecules as well as between phen molecules and 2,2′-bipyridyl-5,5′-dicarboxylate anions give rise to the formation of three-dimensional ensembles. The 2,2′-bipyridyl-5,5′-dicarboxylate anion and twelve water molecules are not coordinated, and the molecules of water of crystallization make clusters.