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Crystal structures of dimetal terephthalate di-hydroxides, M 2(C8H4O4)(OH)2 (M = Co, Ni, Zn) from powder diffraction data and DFT calculations

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The crystal structure of poly[di-hydroxido(μ6-terepthalato)dizinc], [Zn2(C8H4O4)(OH)2] n , was solved and refined using synchrotron powder data, and the structures of the isostructural Co and Ni analogues were refined using laboratory powder X-ray data. The s... ...