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

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

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish (US)
Pages (from-to)1165-1168
Number of pages4
JournalActa Crystallographica Section E: Crystallographic Communications
StatePublished - 2015


  • acac
  • crystal structure
  • iron(III)
  • tetrahydrofuran
  • triflate

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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