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Cyclic polysilanes : VIII. The crystal structure of 1,2,3,4-tetra-tert-butyl-tetramethylcyclotetrasilane
Authors:Catherine J Hurt  Joseph C Calabrese  Robert West
Institution:Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 U.S.A.
Abstract:The crystal structure of Si(CH3)(t-C4H9)]4 has been determined by single crystal X-ray diffraction. The crystals are tetragonal, P42/n; a = b = 13.069(4), c = 7.880(2) Å, Z = 2. The structure was determined using 745 independent data and refined with anisotropic least-squares to a final unweighted R-value of 3.5%. Each tetrameric molecule was found to be arranged about a 4 axis, with the independent crystallographic unit comprising one silicon atom, one methyl and one tert-butyl group. The four-membered ring of silicon atoms is nonplanar with an unusually large dihedral angle of 36.8°. The principal mean bond lengths are SiSi 2.377(1), SiC(methyl) 1.893(4), SiC(tert-butyl) 1.918(3) Å, and the SiSiSi bond angle is 86.99°. The SiSi bond length is somewhat longer than in other polysilanes.
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