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

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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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Document Type: Research Article

Affiliations: School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Publication date: January 1, 2015

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