Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)

The mononuclear title complex, [Fe(CF(3)O(3)S)(C(5)H(7)O(2))(2)(C(4)H(8)O)] or [Fe(acac)(2)(OTf)(THF)] (acac = acetyl­acetonate; OTf = tri­fluoro­methane­sulfon­ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa­hedral environment [Fe—O bond-len...

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Autores principales: Richers, Casseday P., Bertke, Jeffery A., Rauchfuss, Thomas B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647377/
https://www.ncbi.nlm.nih.gov/pubmed/26594397
http://dx.doi.org/10.1107/S2056989015016849
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author Richers, Casseday P.
Bertke, Jeffery A.
Rauchfuss, Thomas B.
author_facet Richers, Casseday P.
Bertke, Jeffery A.
Rauchfuss, Thomas B.
author_sort Richers, Casseday P.
collection PubMed
description The mononuclear title complex, [Fe(CF(3)O(3)S)(C(5)H(7)O(2))(2)(C(4)H(8)O)] or [Fe(acac)(2)(OTf)(THF)] (acac = acetyl­acetonate; OTf = tri­fluoro­methane­sulfon­ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa­hedral environment [Fe—O bond-length range = 1.9517 (11)–2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak inter­molecular C—H⋯O and C—H⋯F hydrogen-bonding inter­actions generate a two-dimensional supra­molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis­(acetyl­acetonato)iron(III) complex.
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spelling pubmed-46473772015-11-20 Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III) Richers, Casseday P. Bertke, Jeffery A. Rauchfuss, Thomas B. Acta Crystallogr E Crystallogr Commun Research Communications The mononuclear title complex, [Fe(CF(3)O(3)S)(C(5)H(7)O(2))(2)(C(4)H(8)O)] or [Fe(acac)(2)(OTf)(THF)] (acac = acetyl­acetonate; OTf = tri­fluoro­methane­sulfon­ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa­hedral environment [Fe—O bond-length range = 1.9517 (11)–2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak inter­molecular C—H⋯O and C—H⋯F hydrogen-bonding inter­actions generate a two-dimensional supra­molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis­(acetyl­acetonato)iron(III) complex. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647377/ /pubmed/26594397 http://dx.doi.org/10.1107/S2056989015016849 Text en © Richers 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 Research Communications
Richers, Casseday P.
Bertke, Jeffery A.
Rauchfuss, Thomas B.
Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)
title Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)
title_full Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)
title_fullStr Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)
title_full_unstemmed Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)
title_short Crystal structure of bis­(acetyl­acetonato-κ(2) O,O′)(tetra­hydro­furan-κO)(tri­fluoro­methane­sulfonato-κO)iron(III)
title_sort crystal structure of bis­(acetyl­acetonato-κ(2) o,o′)(tetra­hydro­furan-κo)(tri­fluoro­methane­sulfonato-κo)iron(iii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647377/
https://www.ncbi.nlm.nih.gov/pubmed/26594397
http://dx.doi.org/10.1107/S2056989015016849
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