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

• Main Authors: Casseday P. Richers, Jeffery A. Bertke, Thomas B. Rauchfuss
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-10-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; iron(III); acac; triflate; tetrahydrofuran
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989015016849

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.