Synthesis, structural and theoretical studies of a rare hexameric water cluster held in the lattice of {[Zn(HL)(phen)(H(2)O)]center dot 3(H(2)O)}2 (H(3)L = trans-aconitic acid)

The reaction of Zn(NO(3))(2)center dot 3(H(2)O) with trans-aconitic acid (H(3)L), in presence of chelating 1,10-phenanthroline, leads to the formation of a dinuclear unit {[Zn(HL)(phen)(H(2)O)]center dot 3(H(2)O)}(2). The lattice water molecules are assembled as a centrosymmetric hexamer. The crystal structure, thermal studies, theoretical calculations, and the factors that stabilize this water hexamer are presented. (C) 2010 Elsevier B.V. All rights reserved. Inorganic Chemistry Communications