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(RS)-Tricarbon-yl(η-1,3-diacet-oxy-5,5-dimethyl-cyclo-hexa-1,3-diene)iron(0).

ABSTRACT: In the title compound, [Fe(C(12)H(16)O(4))(CO)(3)], the diene moiety of the mol-ecule 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 Csp(3) 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 Csp(3)-Csp(3) single bond.

SUBMITTER: Romanski S

PROVIDER: S-EPMC3246956 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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(RS)-Tricarbon-yl(η-1,3-diacet-oxy-5,5-dimethyl-cyclo-hexa-1,3-diene)iron(0).

Romanski Steffen S Neudörfl Jörg-M JM Schmalz Hans-Günther HG

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

In the title compound, [Fe(C(12)H(16)O(4))(CO)(3)], the diene moiety of the mol-ecule 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 Csp(3) 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 Csp(3)-Cs ...[more]

PMID: 22219776

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