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

Autor: Pavlishchuk, Anna V., Vasylenko, Inna V., Zeller, Matthias, Addison, Anthony W.
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Dec2021, Vol. 77 Issue 12, p1197-1202, 17p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index