J. Silverton, J. Hoard
Apr 1, 1963
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Journal
Inorganic Chemistry
Abstract
Three-dimensional {hkl} x-ray data measured for 0 < (sin THETA )/ lambda < 0.76 from monoclinic crystals of zirconium(IV) tetrakisacetylacetonate lead to definitive structure determination. The quasi-symmetry of the square antiprismatic coordination group, as also of the complete molecule, is very nearly D/sub 2/-222, the maximum for the stereoisomeric type. Deviations from D/ sub 2/ symmetry having probable significance are limited to the weakest links, the complexing Zr--0 bonds. The dimensional integrity of the rings, extending to virtual equivalence of chemically similar bonds, is maintained in all other respects. The bond data compare favorably with a composite of the more accurate results reported by others for simpler materials. The observed lengthening, on the average, of lateral edges relative to those of square faces in the coordination group is in accord with the a priori analysis of HS; a significant further distortion, taken in accord with D/sub 2/, is in the direction of the dodecahedral stereoisomer mmmm of HS. (auth)