A Hybrid Solid with Giant Pores Prepared by a Combination of Targeted Chemistry, Simulation, and Powder Diffraction

Abstract

A perfect combination: The association of a chromium(III) trimeric building unit and 1,3,5-benzenetricarboxylate led to the powdered solid MIL-100. Simulations provided a crystal structure solution, which matched the experimental powder XRD pattern. This unique simulation/diffraction combination allowed the structure determination of a giant-pore solid with a zeotype architecture, built up from hybrid supertetrahedra (see picture). Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2004/z460592_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.