Crystal structure of bis(acetylacetonato-κ2O,O')(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)

Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas B.

doi:10.1107/S2056989015016849

Title: Crystal structure of bis(acetylacetonato-κ²O,O')(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)

Journal Article · Sat Sep 12 00:00:00 EDT 2015 · Acta Crystallographica. Section E, Crystallographic Communications

DOI:https://doi.org/10.1107/S2056989015016849· OSTI ID:1629914

Richers, Casseday P. ^[1]; Bertke, Jeffery A. ^[1]; Rauchfuss, Thomas B. ^[1]

Univ. of Illinois at Urbana-Champaign, IL (United States). School of Chemical Sciences

The mononuclear title complex, [Fe(CF₃O₃S)(C₅H₇O₂)₂(C₄H₈O)] or [Fe(acac)₂(OTf)(THF)] (acac = acetylacetonate; OTf = trifluoromethanesulfonate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe³⁺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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Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: FG02-90ER14146

OSTI ID:: 1629914

Journal Information:: Acta Crystallographica. Section E, Crystallographic Communications, Vol. 71, Issue 10; ISSN 2056-9890

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Crystal structure of bis(acetylacetonato-κ2O,O')(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)

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Title: Crystal structure of bis(acetylacetonato-κ²O,O')(tetrahydrofuran-κO)(trifluoromethanesulfonato-κO)iron(III)