Abstract
The crystal and molecular structure of the hexamer, (HAlN-i-Pr) 6, has been solved by direct-methods from single crystal three-dimensional X-ray diffraction data obtained on an automatic diffractometer. The molecule consists of an hexagonal cage, formed by two almost planar six-membered rings, (AIN) 3, joined together by six transverse AlN bonds. The unit cell contains four independent molecules, related to inversion centres, presenting two conformers which arise from different rotation angles around the NC bond of the isopropyl groups. The main average bond lengths are: AlN, 1.898 (2) Å in six-membered rings and 1.956(2) Å in transverse bonds; AlH, 1.49(1) Å and NC, 1.514(2) Å. The hexamer crystallizes as colourless prisms with the following crystal data: triclinic space group, P 1 ; a = 17.18(2), b = 10.68(2), c = 20.09(2) Å, α = 123.5(4)°, β = 90.0(5)°, γ = 93.5(5)°; Z = 4; calculated density 1.106 g/cm 3. The structure has been refined by the block-matrix least-squares method, using 6491 independent reflections, to an R factor of 5.0%.
Published Version
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