Abstract
Dodecasil 1H, 34SiO2 · 3M12 · 2M12′ · 1M20 with M12, M12′=N2 and M20=1-aminoadamantane, is hexagonal witha=13.825(2) A,c=11.189(2) A and crystallizes in space groupP6/mmm. With 767 unique reflexions the structure has been refined to a weighted reliability factorR w =0.054. The three-dimensional four-connected host framework is built by corner sharing [SiO4] tetrahedra and shows three types of cagelike voids, [512] cages, [435663] cages and [51268] cages, the latter housing the 1-aminoadamantane guest molecule. Difference Fourier synthesis ρ(obs)-ρ(calc(Si,O)) delineate the guest molecules within the different types of cage. Residual electron densities reveal positional disorder of the 1-aminoadamantane guest molecule. Four crystallographically different preferred orientations for the 1-aminoadamantane guest molecule are found.
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