Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding.

Powder X-ray diffraction (XRD) has been exploited to establish the structural properties of a porous interpenetrated mixed-ligand metal-organic framework material prepared by solid-state grinding, recognizing that product phases from mechanochemical synthesis are typically microcrystalline powders. The importance of subjecting the powder XRD data to rigorous scrutiny in such applications is emphasized.