The adsorbate structure of ferrocene inside [Al(OH)(bdc)]x (MIL-53): a powder X-ray diffraction study.

Ferrocene is strongly adsorbed by the highly porous metal-organic framework compound [Al(OH)(bdc)l], (MIL-53; bdc = 1,4-benzenedicarboxylate). The structure of the crystalline phase {[Fe(eta5-C5H5)2][Al(OH)(bdc)]2}x, was determined by X-ray powder diffraction and Rietveld methods. The ferrocene molecules are arranged in a 1D chain-like fashion and their cyclopentadienyl rings are oriented almost parallel to the O3Al faces of the {AlO6}) octahedra without pi-stacking to the bdc.