Acta Crystallographica Section E: Crystallographic Communications (Dec 2021)

Crystal structure of a TbIII–CuII glycinehydroxamate 15-metallacrown-5 sulfate complex

  • Anna V. Pavlishchuk,
  • Inna V. Vasylenko,
  • Matthias Zeller,
  • Anthony W. Addison

DOI
https://doi.org/10.1107/S2056989021011907
Journal volume & issue
Vol. 77, no. 12
pp. 1197 – 1202

Abstract

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The core of the title complex, bis[hexaaquahemiaquapentakis(μ3-glycinehydroxamato)sulfatopentacopper(II)terbium(III)] sulfate hexahydrate, [TbCu5(SO4)(GlyHA)5(H2O)6.5]2(SO4)·6H2O (1), which belongs to the 15-metallacrown-5 family, consists of five glycinehydroxamate dianions (GlyHA2−; C2H4N2O2) and five copper(II) ions linked together forming a metallamacrocyclic moiety. The terbium(III) ion is connected to the centre of the metallamacrocycle through five hydroxamate oxygen atoms. The coordination environment of the Tb3+ ion is completed to an octacoordination level by oxygen atoms of a bidentate sulfate and an apically coordinated water molecule, while the copper(II) atoms are square-planar, penta- or hexacoordinate due to the apical coordination of water molecules. Continuous shape calculations indicate that the coordination polyhedron of the Tb3+ ion in 1 is best described as square antiprismatic. The positive charge of each pair of [TbCu5(GlyHA)5(H2O)6.5(SO4)]22+ fragments is compensated by a non-coordinated sulfate anion, which is located on an inversion center with 1:1 disordered oxygen atoms. Complex 1 is isomorphous with the previously reported compounds [LnCu5(GlyHA)5(SO4)(H2O)6.5]2(SO4), where LnIII = Pr, Nd, Sm, Eu, Gd, Dy and Ho.

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