Research Article: Redetermination of (acetonitrile-κN)dicarbon­yl(η5-cyclo­penta­dien­yl)iron(II) tetra­fluoridoborate

Date Published: July 01, 2012

Publisher: International Union of Crystallography

Author(s): Theresa Kückmann, Hans-Wolfram Lerner, Michael Bolte.

http://doi.org/10.1107/S1600536812027857

Abstract

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.

Partial Text

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 ▶).

Source:

http://doi.org/10.1107/S1600536812027857