title: Crystal structure of bis-(acetyl-acetonato-κ(2) O,O')(tetra-hydro-furan-κO)(tri-fluoro-methane-sulfonato-κO)iron(III).
abstract: The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetyl-acetonate; OTf = tri-fluoro-methane-sulfon-ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa-hedral 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 inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions generate a two-dimensional supra-molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis-(acetyl-acetonato)iron(III) complex.
authors.affiliation: School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
authors.forename: Casseday P
authors.initials: CP
authors.lastname: Richers
authors.affiliation: School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
authors.forename: Jeffery A
authors.initials: JA
authors.lastname: Bertke
authors.affiliation: School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
authors.forename: Thomas B
authors.initials: TB
authors.lastname: Rauchfuss
keywords: acac; crystal structure; iron(III); tetra­hydro­furan; triflate