Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate
The title compound, [Gd(C11H7O4)3(C2H5OH)(H2O)]·C2H5OH, was crystallized from ethanol, affording a solvate. The main ligand in the complex results from deprotonation of the hydroxy group in 3-acetyl-4-hydroxycoumarin (C11H8O4) and the resulting anionic ligands chelate the GdIII centre. Three anions,...
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International Union of Crystallography
2019-04-01
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doaj-ff602b34f27747bda0079b5badcc62bd2020-11-25T00:55:11ZengInternational Union of CrystallographyIUCrData2414-31462019-04-0144x19049310.1107/S2414314619004930im4004Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvateLaura Gasque0Óscar Guzmán-Méndez1Sylvain Bernès2Facultad de Química, Universidad Nacional Autónoma de México, Ciudad Universitaria, 04510 México D.F., MexicoFacultad de Química, Universidad Nacional Autónoma de México, Ciudad Universitaria, 04510 México D.F., MexicoInstituto de Física, Benemérita Universidad Autónoma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, Pue., MexicoThe title compound, [Gd(C11H7O4)3(C2H5OH)(H2O)]·C2H5OH, was crystallized from ethanol, affording a solvate. The main ligand in the complex results from deprotonation of the hydroxy group in 3-acetyl-4-hydroxycoumarin (C11H8O4) and the resulting anionic ligands chelate the GdIII centre. Three anions, one ethanol and one water molecule are bonded to the lanthanide, giving an eight-coordinate metal centre with a slightly distorted trigonal–prismatic square-face-bicapped coordination geometry. All water and ethanol molecules participate in an intricate three-dimensional framework of hydrogen bonds. The complex is isostructural to the Tb and Dy compounds reported previously [Guzmán-Méndez et al. (2018). Inorg. Chem. 57, 908–911].http://scripts.iucr.org/cgi-bin/paper?S2414314619004930crystal structurelanthanidegadoliniumsolvate |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Laura Gasque Óscar Guzmán-Méndez Sylvain Bernès |
spellingShingle |
Laura Gasque Óscar Guzmán-Méndez Sylvain Bernès Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate IUCrData crystal structure lanthanide gadolinium solvate |
author_facet |
Laura Gasque Óscar Guzmán-Méndez Sylvain Bernès |
author_sort |
Laura Gasque |
title |
Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate |
title_short |
Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate |
title_full |
Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate |
title_fullStr |
Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate |
title_full_unstemmed |
Aquatris[1-(2,4-dioxo-2H-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate |
title_sort |
aquatris[1-(2,4-dioxo-2h-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(iii) ethanol monosolvate |
publisher |
International Union of Crystallography |
series |
IUCrData |
issn |
2414-3146 |
publishDate |
2019-04-01 |
description |
The title compound, [Gd(C11H7O4)3(C2H5OH)(H2O)]·C2H5OH, was crystallized from ethanol, affording a solvate. The main ligand in the complex results from deprotonation of the hydroxy group in 3-acetyl-4-hydroxycoumarin (C11H8O4) and the resulting anionic ligands chelate the GdIII centre. Three anions, one ethanol and one water molecule are bonded to the lanthanide, giving an eight-coordinate metal centre with a slightly distorted trigonal–prismatic square-face-bicapped coordination geometry. All water and ethanol molecules participate in an intricate three-dimensional framework of hydrogen bonds. The complex is isostructural to the Tb and Dy compounds reported previously [Guzmán-Méndez et al. (2018). Inorg. Chem. 57, 908–911]. |
topic |
crystal structure lanthanide gadolinium solvate |
url |
http://scripts.iucr.org/cgi-bin/paper?S2414314619004930 |
work_keys_str_mv |
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1725231550434377728 |