Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Theresa Kückmann, Hans-Wolfram Lerner, Michael Bolte.
The crystal structure of the title compound, [Fe(C5H5)(CH3CN)(CO)2]BF4, of which only the coordinates of the non-H atoms of the cation have previously been reported [Fadel et al. (1979 ▶). Z. Anorg. Allg. Chem.453, 98–106] has been redetermined. The FeII atom in the complex cation is coordinated by a cyclopentadienyl ring, two carbonyl ligands and an acetonitrile molecule displaying a three-legged piano stool structure. Three of the four F atoms of the BF4− anion are disordered over two sets of sites, with a site-occupancy factor of 0.709 (10) for the major occupied site.
For background to this work, see: Kückmann et al. (2005 ▶, 2007 ▶, 2008 ▶, 2010 ▶); Lerner (2005 ▶); Sänger et al. (2012 ▶). For a previous (incomplete) structure determination of the title compound, see: Fadel et al. (1979 ▶). For the structure of closely related dicarbonyl-(η5-cyclopentadienyl)-(N-methyl cyanido)iron(II) tetrafluoridoborate, see: Callan et al. (1987 ▶).