Single-Crystal X-Ray Diffraction Study of β-Diborane

Abstract
The crystal structure of the β phase of B2H6 is monoclinic, in the space group P21/n, and the unit cell contains two molecules and has parameters a=4.40, b=5.72, c=6.50, and γ=105.1°. The value of R=Σ ||F0 |−| Fc|| /Σ|F0|=0.042 for the 86 independent diffraction maxima, obtained at −190°C by use of counter methods from a single crystal in an arbitrary orientation.