CRYSTAL STRUCTURE OF (Xe₂F₁₁+)(VF₆-)

Primož Benkiè*, Ljubo Goliè**, Jože Koller**, Boris Žemva*

*Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia ** Faculty of Chemistry and Chemical Technology, University of Ljubljana, Aškerèeva 5, SI-1000 Ljubljana, Slovenia

Abstract

Single crystal of (Xe₂F₁₁+)(VF₆-) has been prepared. Compound crystallises in monoclinic space group P21/n (No.14) with a =8 55.1(1) pm, b = 889.6(1) pm, c = 1570.3(1) pm, b = 93.31(2)°, V = 1.1925(9) nm3, Z = 4 and rc = 3.545 Mg/m³. A structure determination using three-dimensional MoKa X-ray data resulted in conventional R and wR factors of 0.046 and 0.066 respectively, for 2217 unique reflections for which I ³ 3s(I). The structure shows two groups; the essentially octahedral VF₆-anion and Xe₂F₁₁+cation, which consists of two XeF₅ units bridged by additional common fluorine atom. Calculation of Mulliken charges for structural units Xe₂F₁₁VF₆ and Xe₂F₁₁AuF₆ has been performed.