Low-temperature redetermination of hexakis(μ-chloroacetato-κ2O:O′)-μ3-oxido-tris[aquachromium(III)] nitrate 3.5-hydrate

Abstract

A low-temperature redetermination of the trinuclear cluster compound described as [Cr3(C2H2ClO2)6O(H2O)3]NO3·3H2O [Glowiak, Kubiak & Jezowska-Trzebiatowska (1977 ▶). Bull. Acad. Pol. Sci. Ser. Sci. Chim. 25, 359–371] shows that the salt is a 3.5-hydrate, [Cr3(C2H2ClO2)6O(H2O)3]NO3·3.5H2O. The trinuclear cluster cation is disordered in four of the six monochloro­acetate groups. One is disordered over two positions in respect of the chloro­methyl atoms (occupancy ratio 0.50:0.50); another is disordered over three positions in respect of the chloro­methyl atoms (occupancy ratio 0.50:0.37:0.13) whereas two are disordered over two positions in respect of the Cl atoms only (occupancy ratios 0.84:0.16 and 0.60:0.40). Of the four independent uncoordinated water mol­ecules, one has an occupancy factor of 0.5. The trinuclear cation has an oxido O atom that is connected to three water-coordinated CrIII atoms, the three metal atoms forming the points of an equilateral triangle. Six carboxyl­ate groups each chelate a Cr—O—Cr fragment. The cations, anions and uncoordinated water mol­ecules are linked by hydrogen bonds.