Acta Cryst. (2009). E65, m658-m659  [ doi:10.1107/S1600536809017772 ]

A neutral cubane with a Zn^II₄O₄ core: tetrabenzoatotetrakis(₃-hydroxydi-2-pyridylmethanolato)tetrazinc(II)-acetone-methanol (1/2/1)

D. H. Shin, S.-H. Han, P.-G. Kim, C. Kim and Y. Kim

Abstract: In the title compound, [Zn₄(C₁₁H₉N₂O₂)₄(C₇H₅O₂)₄]·2(CH₃)₂CO·CH₃OH, the tetranuclear molecule lies on a fourfold inversion axis. Zn^II ions and ₃-O atoms in the cubane core occupy alternating vertices, forming two interpenetrating tetrahedra. Each Zn^II ion is further coordinated by two N atoms from two different (py)₂C(OH)O ligands (py is pyridyl) and one O atom from a monodentate benzoate ligand, forming a distorted octahedral environment. The (py)₂C(OH)O ligand acts in an ¹:³:¹:₃ manner, forming two five-membered ZnNCCO chelating rings with two different Zn^II atoms sharing a common C-O bond, and an alkoxide-type bond to a third Zn^II ion. There are four symmetry-related intramolecular O-HO hydrogen bonds between the two types of ligands. In the asymmetric unit, there is a half-occupancy acetone solvent molecule and a half-occupancy methanol solvent molecule that lies on a twofold rotation axis.

Online 20 May 2009

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