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Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units

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https://figshare.com/articles/dataset/Cubic_Box_versus_Spheroidal_Capsule_Built_from_Defect_and_Intact_Pentagonal_Units/2465212
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The high-nuclearity polyoxothiomolybdate [H8Mo84S48O188(H2O)12(CH3COO)24]32– has been prepared and characterized by single-crystal X-ray crystallography and 1H NMR, IR, Raman, and UV–vis spectroscopy. The solid-state structure reveals an unprecedented and intriguing arrangement consisting of a nanoscaled anionic cube. The surprisingly open structure of this {Mo84}-type cubic box features a large inner void that is accessible via its six open square faces with diameters of ca. 9 Å. Importantly, this molecular system appears to be highly functionalizable because of the presence of 24 exposed exchangeable acetate ligands.
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2016-02-20
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