Crystal structures of benzo-18-crown-6 complexes with oxonium hexafluorotantalate and oxonium hexafluoroniobate

Autor:	Edward V. Ganin, N. G. Furmanova, Wen-Jwu Wang, Vladimir O. Gelmboldt, Yu. A. Simonov, I. A. Verin, Marina S. Fonari
Rok vydání:	2006
Předmět:	chemistry.chemical_classification 18-Crown-6 Space group General Chemistry Crystal structure Condensed Matter Physics Crystallography chemistry.chemical_compound chemistry General Materials Science Orthorhombic crystal system Isostructural Oxonium ion Crown ether Monoclinic crystal system
Zdroj:	Crystallography Reports. 51:804-810
ISSN:	1562-689X 1063-7745
DOI:	10.1134/s1063774506050099
Popis:	The crystal structures of [(benzo-18-crown-6) · H3O]TaF6 and [(benzo-18-crown-6) · H3O]NbF6 complex compounds are determined by X-ray diffraction. It is revealed that the tantalum complex has two polymorphic modifications, namely, the monoclinic (I) and orthorhombic (II) modifications. The unit cell parameters of these compounds are as follows: a = 14.784(2) A, b = 8.390(4) A, c = 18.005(6) A, β = 95.78(2)°, Z = 4, and space group P21/n for modification I; and a = 8.456(2) A, b = 21.967(5) A, c = 24.122(5) A, Z = 8, and space group Pbca for modification II. The orthorhombic niobium complex [(benzo-18-crown-6) · H3O]NbF6 with the unit cell parameters a = 8.454(1) A, b = 21.943(3) A, c = 24.127(4) A, Z = 8, and space group Pbca (III) is isostructural with tantalum complex II. The oxonium cation in complexes I–III is encapsulated by the crown ether and thus forms one ordinary and two bifurcate hydrogen bonds with the oxygen atoms of the crown ether. This macrocyclic cation is bound to the anions through the C-H ...F contacts (H...F, 2.48–2.58 A).
Databáze:	OpenAIRE
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