MOLECULAR-STRUCTURE OF IODINE PENTAFLUORIDE - ANALYSIS OF ELECTRON-DIFFRACTION DATA AND THE MICROWAVE B0 ROTATIONAL CONSTANT

The zero-point average structure of IF5 has been determined by least-squares refinement of gas electron diffraction data and the published microwave value of the B rotational constant. The structure parameters, with 2σ error estimates in parentheses are rav (IF, mean) = 1.860(2) Å, Δrav(IFeq-IFax) = 0.034(14) Å, ∠ FaxIFeq = 82.1(6)°. Refinements have also been carried out for a range of assumed values of the C rotational constant, which may be determined in future spectroscopic experiments. © 1979.