Crystal structure of bis(potassium hydrogenl-malate)·malic acid, 2[K+(C4H5O5)]·C4H6O5期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Crystal structure of bis(potassium hydrogenl-malate)·malic acid, 2[K+(C4H5O5)]·C4H6O5

Authors:	W. K. L. Van Havere Paul T. Beurskens A. T. H. Lenstra

Affiliation:	(1) Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, The Netherlands;(2) Department of Chemistry, University of Antwerp (U.I.A.), Universiteitsplein 1, B-2610 Wilrijk, Belgium

Abstract:	The crystal structure of bis(potassium hydrogenl-malate)·malic acid, 2[K⁺(C₄H₅O₅)^–]·C₄H₆O₅, has been determined: C₁₂H₁₆K₂O₁₅, M_r=1913.9, orthorhombic, space groupP2₁2₁2₁a=7.719(5),b=7.916(5),c=29.863(20) Å,V_c=1824.7 Å³,Z=4. The structure was determined by a new application of theDirdif procedure using MoK automatic diffractometer X-ray data, and refined by full-matrix least squares toR=0.059 for 962 reflections. A question on space-group assignment and composition was resolved only after the structure had been determined. The conformation of the central carbon skeleton of all three crystallographic independent malate moieties isanti. The potassium ions are coordinated by eight oxygen atoms, forming face-sharing distorted square antiprisms.

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