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

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, Drexel University, Philadelphia, PA 19104-2816, USA.

Published: December 2021

The core of the title complex, bis-[hexa-aqua-hemi-aqua-penta-kis-(μ-glycine-hydroxamato)sulfato-penta-copper(II)terbium(III)] sulfate hexa-hydrate, [TbCu(SO)(GlyHA)(HO)](SO)·6HO (), which belongs to the 15-metalla-crown-5 family, consists of five glycine-hydroxamate dianions (GlyHA; CHNO) 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 Tb 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 Tb ion in is best described as square anti-prismatic. The positive charge of each pair of [TbCu(GlyHA)(HO)(SO)] fragments is compensated by a non-coordinated sulfate anion, which is located on an inversion center with 1:1 disordered oxygen atoms. Complex is isomorphous with the previously reported compounds [Cu(GlyHA)(SO)(HO)](SO), where = Pr, Nd, Sm, Eu, Gd, Dy and Ho.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647751PMC
http://dx.doi.org/10.1107/S2056989021011907DOI Listing

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