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Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal–Organic Frameworks

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posted on 05.11.2014, 00:00 by Sigurd Øien, David Wragg, Helge Reinsch, Stian Svelle, Silvia Bordiga, Carlo Lamberti, Karl Petter Lillerud
We report the structure of the Zr metal–organic frameworks (MOFs) UiO-66 and UiO-67 to very fine detail using synchrotron single-crystal X-ray diffraction and the synthesis method used to obtain single crystals. Zr terephthalate MOF UiO-66 is known to have missing linkers, and the nature of these are shown to be coordinating water and solvent molecules. Single crystals of the isoreticular material UiO-67 does not show such missing linker defects.

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