The chemistry and the stereochemistry of poly(n-alkyliminoalanes) : III. The crystal and molecular structure of the adduct (HalN-i-Pr)6AlH3

Abstract The crystal and molecular structure of the adduct (HAlN-i-Pr) 6 AlH 3 has been determined from single-crystal and three dimensional X-ray diffraction data collected by counter methods. The cage-type molecular structure consists of two six-membered rings, (AlN) 3 , joined together by four adjacent transverse AlN bonds; the loss of two of these bonds allows the complexation of one alane molecule, with five-coordination of the aluminum (trigonal bipyramidal geometry), through two AlN bonds and two AlHAl bridge bonds. The AlN bond lengths range from 1.873 to 1.959 A; the average AlH bond length is 1.50(1) A for the four-coordinated aluminum atoms; the average distance of the two apical hydrogens from the five-coordinated aluminum atom is 1.92(5) A. Colourless prismatic crystals of the compound have the following crystal data: triclinic space group P 1 ; a = 17.13(2); b = 10.78(2); c = 10.20(2) A; α = 124.3(4), β = 92.0(4), γ = 92.1(5); Z = 2; calculated density 1.157 g/cm 3 . The structure has been refined by block-matrix, least-squares methods using 4358 independent reflections to a standard unweighted R factor of 4.9%.