Crystal structures of dimetal terephthalate di-hydroxides, M 2 (C 8 H 4 O 4 )(OH) 2 ( M = Co, Ni, Zn) from powder diffraction data and DFT calculations.

Autor: Markun EL; Department of Chemistry, North Central College, 131 S. Loomis, St., Naperville IL, 60540 , USA., Jensen DA; Department of Chemistry, North Central College, 131 S. Loomis, St., Naperville IL, 60540 , USA., Vegetabile JD; Department of Chemistry, North Central College, 131 S. Loomis, St., Naperville IL, 60540 , USA., Kaduk JA; Department of Chemistry, North Central College, 131 S. Loomis, St., Naperville IL, 60540 , USA.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 May 13; Vol. 78 (Pt 6), pp. 584-589. Date of Electronic Publication: 2022 May 13 (Print Publication: 2022).
DOI: 10.1107/S2056989022005023
Abstrakt: The crystal structure of poly[di-hydroxido(μ 6 -terepthalato)dizinc], [Zn 2 (C 8 H 4 O 4 )(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 structure of [Co 2 (C 8 H 4 O 4 )(OH) 2 ] n has been reported previously in space group C 2/ m , which yields disordered terephthalate anions. Doubling the c -axis of that cell results in an ordered model in space group C 2/ c . The octa-hedral M O 6 coordination polyhedra of the metal cations share edges, forming chains running parallel to the b -axis direction. These chains share corners (hydroxyl groups), forming layers lying perpendicular to the a -axis direction.
(© Markun et al. 2022.)
Databáze: MEDLINE
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