Acta Crystallographica Section E (Nov 2011)

(RS)-Tricarbonyl(η4-1,3-diacetoxy-5,5-dimethylcyclohexa-1,3-diene)iron(0)

  • Steffen Romanski,
  • Jörg-M. Neudörfl,
  • Hans-Günther Schmalz

DOI
https://doi.org/10.1107/S1600536811041298
Journal volume & issue
Vol. 67, no. 11
pp. m1530 – m1530

Abstract

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In the title compound, [Fe(C12H16O4)(CO)3], the diene moiety of the molecule is virtually planar, with a C—C—C—C torsion angle of −1.4 (2)°. The six-membered ring exhibits a boat conformation, with torsion angles of 46.2 (2) and 46.5 (3)° for a double-bond and the two attached Csp3 atoms. The Fe atom is coordinated to all four of the diene C atoms, with bond lengths between 2.041 (2) and 2.117 (2) Å. The Fe(CO)3 tripod adopts a conformation with one CO ligand eclipsing the Csp3—Csp3 single bond.