Crystal Structure of Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

Vladimir Diakiw, Trevor W. Hambley, David L. Kepert, Colin L. Raston, Allan H. White

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The crystal structure of the title compound, Ca(C6H2N3O7)2, 5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b 10.292(7), c 8. 554(2) Å, Z4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2-(unidentate), ]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

Original languageEnglish
Pages (from-to)301-309
Number of pages9
JournalAustralian Journal of Chemistry
Volume32
Issue number2
DOIs
Publication statusPublished - 1 Jan 1979
Externally publishedYes

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