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Crystal structure of a Tb^III-Cu^II glycine-hydroxamate 15-metallacrown-5 sulfate complex.

ABSTRACT: The core of the title complex, bis-[hexa-aqua-hemi-aqua-penta-kis-(μ₃-glycine-hydroxamato)sulfato-penta-copper(II)terbium(III)] sulfate hexa-hydrate, [TbCu₅(SO₄)(GlyHA)₅(H₂O)_6.5]₂(SO₄)·6H₂O (1), which belongs to the 15-metalla-crown-5 family, consists of five glycine-hydroxamate dianions (GlyHA^2-; 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 octa-coordination level by oxygen atoms of a bidentate sulfate and an apically coordinated water mol-ecule, while the copper(II) atoms are square-planar, penta- or hexa-coordinate due to the apical coordination of water mol-ecules. Continuous shape calculations indicate that the coordination polyhedron of the Tb³⁺ ion in 1 is best described as square anti-prismatic. The positive charge of each pair of [TbCu₅(GlyHA)₅(H₂O)_6.5(SO₄)]₂ ²⁺ 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 Ln ^III = Pr, Nd, Sm, Eu, Gd, Dy and Ho.

SUBMITTER: Pavlishchuk AV

PROVIDER: S-EPMC8647751 | biostudies-literature |

REPOSITORIES: biostudies-literature

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