Crystal structure of an eight-coordinate terbium(III) ion chelated by N,N'-bis-(2-hy-droxy-benz-yl)-N,N'-bis-(pyridin-2-ylmeth-yl)ethyl-enedi-amine (bbpen(2-)) and nitrate

Thaiane Gregório; André Luis Rüdiger; Giovana G Nunes; Jaísa F Soares; David L Hughes

doi:10.1107/S2056989014026826

Crystal structure of an eight-coordinate terbium(III) ion chelated by N,N'-bis-(2-hy-droxy-benz-yl)-N,N'-bis-(pyridin-2-ylmeth-yl)ethyl-enedi-amine (bbpen(2-)) and nitrate

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):65-8. doi: 10.1107/S2056989014026826.

Authors

Thaiane Gregório¹, André Luis Rüdiger¹, Giovana G Nunes¹, Jaísa F Soares¹, David L Hughes²

Affiliations

¹ Departamento de Química, Universidade Federal do Paraná, Centro Politécnico, Jardim das Américas, 81530-900 Curitiba-PR, Brazil.
² School of Chemistry, University of East Anglia, Norwich NR4 7TJ, England.

Abstract

The reaction of terbium(III) nitrate penta-hydrate in aceto-nitrile with N,N'-bis-(2-hy-droxy-benz-yl)-N,N'-bis-(pyridin-2-ylmeth-yl)ethyl-enedi-amine (H2bbpen), previously deprotonated with tri-ethyl-amine, produced the mononuclear compound [N,N'-bis-(2-oxidobenzyl-κO)-N,N'-bis-(pyridin-2-ylmethyl-κN)ethylenedi-amine-κ(2) N,N'](nitrato-κ(2) O,O')terbium(III), [Tb(C28H28N4O2)(NO3)]. The mol-ecule lies on a twofold rotation axis and the Tb(III) ion is eight-coordinate with a slightly distorted dodeca-hedral coordination geometry. In the symmetry-unique part of the mol-ecule, the pyridine and benzene rings are both essentially planar and form a dihedral angle of 61.42 (7)°. In the mol-ecular structure, the N4O4 coordination environment is defined by the hexa-dentate bbpen ligand and the bidentate nitrate anion. In the crystal, a weak C-H⋯O hydrogen bond links mol-ecules into a two-dimensional network parallel to (001).

Keywords: N,N′-bis(2-hydroxybenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine; crystal structure; dodecahedral.; lanthanide; mononuclear; terbium(III).