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

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).