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Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)

In the structure of the title complex, [Fe(C(5)H(7)O(2))(3)] or Fe(acac)(3), the asymmetric unit contains one mol­ecule in a general position. The coordination sphere of the Fe(III) atom is that of a slightly distorted octahedron. The crystal under investigation was a two-component pseudo-merohedral...

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Autores principales: Baker, Tessa M., Howard, Kevin M., Brennessel, William W., Neidig, Michael L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719847/
https://www.ncbi.nlm.nih.gov/pubmed/26870438
http://dx.doi.org/10.1107/S2056989015021805
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author Baker, Tessa M.
Howard, Kevin M.
Brennessel, William W.
Neidig, Michael L.
author_facet Baker, Tessa M.
Howard, Kevin M.
Brennessel, William W.
Neidig, Michael L.
author_sort Baker, Tessa M.
collection PubMed
description In the structure of the title complex, [Fe(C(5)H(7)O(2))(3)] or Fe(acac)(3), the asymmetric unit contains one mol­ecule in a general position. The coordination sphere of the Fe(III) atom is that of a slightly distorted octahedron. The crystal under investigation was a two-component pseudo-merohedral twin in the monoclinic system with a β angle close to 90°. Twin law [100/0-10/00-1] reduced the R1 residual [I > 2σ(I)] from 0.0769 to 0.0312, and the mass ratio of twin components refined to 0.8913 (5):0.1087 (5). In the crystal, mol­ecules are arranged in sheets normal to [001] via non-classical C—H⋯O hydrogen bonding. No other significant inter­molecular inter­actions are observed. The structure is a new polymorph of Fe(acac)(3) and is isotypic with one polymorph of its gallium analog.
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spelling pubmed-47198472016-02-11 Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III) Baker, Tessa M. Howard, Kevin M. Brennessel, William W. Neidig, Michael L. Acta Crystallogr E Crystallogr Commun Data Reports In the structure of the title complex, [Fe(C(5)H(7)O(2))(3)] or Fe(acac)(3), the asymmetric unit contains one mol­ecule in a general position. The coordination sphere of the Fe(III) atom is that of a slightly distorted octahedron. The crystal under investigation was a two-component pseudo-merohedral twin in the monoclinic system with a β angle close to 90°. Twin law [100/0-10/00-1] reduced the R1 residual [I > 2σ(I)] from 0.0769 to 0.0312, and the mass ratio of twin components refined to 0.8913 (5):0.1087 (5). In the crystal, mol­ecules are arranged in sheets normal to [001] via non-classical C—H⋯O hydrogen bonding. No other significant inter­molecular inter­actions are observed. The structure is a new polymorph of Fe(acac)(3) and is isotypic with one polymorph of its gallium analog. International Union of Crystallography 2015-11-21 /pmc/articles/PMC4719847/ /pubmed/26870438 http://dx.doi.org/10.1107/S2056989015021805 Text en © Baker et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Baker, Tessa M.
Howard, Kevin M.
Brennessel, William W.
Neidig, Michael L.
Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)
title Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)
title_full Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)
title_fullStr Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)
title_full_unstemmed Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)
title_short Crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) O,O′)iron(III)
title_sort crystal structure of a third polymorph of tris­(acetyl­acetonato-κ(2) o,o′)iron(iii)
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719847/
https://www.ncbi.nlm.nih.gov/pubmed/26870438
http://dx.doi.org/10.1107/S2056989015021805
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