The Crystal and Molecular Structure of (Pentane-2,4-dionato)-tetrafluorophorane

Abstract

(Pentane-2,4-dionato)-tetrafluorophosphorane crystallises in the space group P2 1 /c, Z = 8, with a = 8.896(2), b = 13.760(4), c = 13.316(2) Å, β = 93.42(3)°. The structure was refined to R = 0.053 for 2445 reflections. Small but significant differences are observed in the bond angles at phosphorus and in the chelate ring conformations of the two indepen­dent molecules. These display an approximate mirror plane perpendicular to the chelate rings, which are in the boat form with P and C(3) displaced from the plane of the remaining ring atoms. The average P-O distance of 1.719(2) Å is similar to that for a σ-bond. 19 F and 31 P NMR and mass spectral data are reported. The basis peak is formed by the cleavage of the two P-0 bonds resulting in the ion PF4 + (m/e 107).