Abstract
In the structure of the title compound, [Fe{η5-C5(CH3)5}(NCCH3)(CO)2]BF4, the arrangement of ligands around the Fe atom is in a pseudo-octahedral three-legged piano-stool fashion in which the pentamethylcyclopentadienyl (Cp*) ligand occupies three apical coordination sites, while the two carbonyl and one acetonitrile ligands form the basal axes of the coordination. The Fe—N bond length is 1.924 (3) Å and the Fe—Cp* centroid distance is 1.722 Å.
Highlights
In the structure of the title compound, [Fe{5-C5(CH3)5}(NCCH3)(CO)2]BF4, the arrangement of ligands around the Fe atom is in a pseudo-octahedral three-legged piano-stool fashion in which the pentamethylcyclopentadienyl (Cp*) ligand occupies three apical coordination sites, while the two carbonyl and one acetonitrile ligands form the basal axes of the coordination
For the structures of related analogues based on the (5-C5H5) moiety, see: Callan et al (1987) for acetonitrile coordination via carbon; Fadel et al (1979) for acetonitrile coordination via nitrogen
Our acknowledgement goes to the NRF and the University of KwaZulu-Natal for resources and financial support
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.006 A; R factor = 0.044; wR factor = 0.120; data-to-parameter ratio = 16.3. In the structure of the title compound, [Fe{5-C5(CH3)5}(NCCH3)(CO)2]BF4, the arrangement of ligands around the Fe atom is in a pseudo-octahedral three-legged piano-stool fashion in which the pentamethylcyclopentadienyl (Cp*) ligand occupies three apical coordination sites, while the two carbonyl and one acetonitrile ligands form the basal axes of the coordination. Related literature For the synthetic route to the title compound, see: Catheline & Astruc (1984). For the structures of related analogues based on the (5-C5H5) moiety, see: Callan et al (1987) for acetonitrile coordination via carbon; Fadel et al (1979) for acetonitrile coordination via nitrogen. Crystal data [Fe(C10H15)(C2H3N)(CO)2]BF4 Mr = 374.95 Orthorhombic, Pna a = 17.6211 (17) Ab = 6.5141 (7) Ac = 14.5794 (13) A
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