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Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane

Two new mononuclear cationic complexes in which the Tb(III) ion is bis-chelated by the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane (H(3) L (Et), C(6)H(14)O(3)) were prepared from Tb(NO(3))(3)·5H(2)O and had their crystal and mol­ecular structures solved by single-crystal X-ray diffraction...

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Autores principales: Gregório, Thaiane, Giese, Siddhartha O. K., Nunes, Giovana G., Soares, Jaísa F., Hughes, David L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290582/
https://www.ncbi.nlm.nih.gov/pubmed/28217359
http://dx.doi.org/10.1107/S2056989017001116
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author Gregório, Thaiane
Giese, Siddhartha O. K.
Nunes, Giovana G.
Soares, Jaísa F.
Hughes, David L.
author_facet Gregório, Thaiane
Giese, Siddhartha O. K.
Nunes, Giovana G.
Soares, Jaísa F.
Hughes, David L.
author_sort Gregório, Thaiane
collection PubMed
description Two new mononuclear cationic complexes in which the Tb(III) ion is bis-chelated by the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane (H(3) L (Et), C(6)H(14)O(3)) were prepared from Tb(NO(3))(3)·5H(2)O and had their crystal and mol­ecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris­(hy­droxy­meth­yl)propane]­terbium(III) nitrate di­meth­oxy­ethane hemisolvate, [Tb(NO(3))(2)(H(3) L (Et))(2)]NO(3)·0.5C(4)H(10)O(2), 1, in which the lanthanide ion is 10-coordinate and adopts an s-bicapped square-anti­prismatic coordination geometry, contains two bidentate nitrate ions bound to the metal atom; another nitrate ion functions as a counter-ion and a half-mol­ecule of di­meth­oxy­ethane (completed by a crystallographic twofold rotation axis) is also present. In product aqua­nitratobis[1,1,1-tris­(hy­droxy­meth­yl)propane]­terbium(III) dinitrate, [Tb(NO(3))(H(3) L (Et))(2)(H(2)O)](NO(3))(2), 2, one bidentate nitrate ion and one water mol­ecule are bound to the nine-coordinate terbium(III) centre, while two free nitrate ions contribute to charge balance outside the tricapped trigonal-prismatic coordination polyhedron. No free water mol­ecule was found in either of the crystal structures and, only in the case of 1, di­meth­oxy­ethane acts as a crystallizing solvent. In both mol­ecular structures, the two tripodal ligands are bent to one side of the coordination sphere, leaving room for the anionic and water ligands. In complex 2, the methyl group of one of the H(3) L (Et) ligands is disordered over two alternative orientations. Strong hydrogen bonds, both intra- and inter­molecular, are found in the crystal structures due to the number of different donor and acceptor groups present.
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spelling pubmed-52905822017-02-17 Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane Gregório, Thaiane Giese, Siddhartha O. K. Nunes, Giovana G. Soares, Jaísa F. Hughes, David L. Acta Crystallogr E Crystallogr Commun Research Communications Two new mononuclear cationic complexes in which the Tb(III) ion is bis-chelated by the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane (H(3) L (Et), C(6)H(14)O(3)) were prepared from Tb(NO(3))(3)·5H(2)O and had their crystal and mol­ecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris­(hy­droxy­meth­yl)propane]­terbium(III) nitrate di­meth­oxy­ethane hemisolvate, [Tb(NO(3))(2)(H(3) L (Et))(2)]NO(3)·0.5C(4)H(10)O(2), 1, in which the lanthanide ion is 10-coordinate and adopts an s-bicapped square-anti­prismatic coordination geometry, contains two bidentate nitrate ions bound to the metal atom; another nitrate ion functions as a counter-ion and a half-mol­ecule of di­meth­oxy­ethane (completed by a crystallographic twofold rotation axis) is also present. In product aqua­nitratobis[1,1,1-tris­(hy­droxy­meth­yl)propane]­terbium(III) dinitrate, [Tb(NO(3))(H(3) L (Et))(2)(H(2)O)](NO(3))(2), 2, one bidentate nitrate ion and one water mol­ecule are bound to the nine-coordinate terbium(III) centre, while two free nitrate ions contribute to charge balance outside the tricapped trigonal-prismatic coordination polyhedron. No free water mol­ecule was found in either of the crystal structures and, only in the case of 1, di­meth­oxy­ethane acts as a crystallizing solvent. In both mol­ecular structures, the two tripodal ligands are bent to one side of the coordination sphere, leaving room for the anionic and water ligands. In complex 2, the methyl group of one of the H(3) L (Et) ligands is disordered over two alternative orientations. Strong hydrogen bonds, both intra- and inter­molecular, are found in the crystal structures due to the number of different donor and acceptor groups present. International Union of Crystallography 2017-01-27 /pmc/articles/PMC5290582/ /pubmed/28217359 http://dx.doi.org/10.1107/S2056989017001116 Text en © Gregório et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Gregório, Thaiane
Giese, Siddhartha O. K.
Nunes, Giovana G.
Soares, Jaísa F.
Hughes, David L.
Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
title Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
title_full Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
title_fullStr Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
title_full_unstemmed Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
title_short Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
title_sort crystal structures of two mononuclear complexes of terbium(iii) nitrate with the tripodal alcohol 1,1,1-tris­(hy­droxy­meth­yl)propane
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290582/
https://www.ncbi.nlm.nih.gov/pubmed/28217359
http://dx.doi.org/10.1107/S2056989017001116
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