In the structure of the title compound, [Fe{ 5-C 5 (CH 3) 5 }-(NCCH 3)(CO) 2 ]BF 4 , 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. Related literature For the synthetic route to the title compound, see: Catheline & Astruc (1984). For the structures of related analogues based on the (5-C 5 H 5) moiety, see: Callan et al. (1987) for acetonitrile coordination via carbon; Fadel et al. (1979) for acetonitrile coordination via nitrogen. For our previous work in this area, see: M'thiruaine, Friedrich, Changamu & Bala (2011); M'thiruaine, Friedrich, Changamu & Omondi (2011). Experimental Crystal data [Fe(C 10 H 15)(C 2 H 3 N)(CO) 2 ]BF 4 M r = 374.95 Orthorhombic, Pna2 1 a = 17.6211 (17) Å b = 6.5141 (7) Å c = 14.5794 (13) Å V = 1673.5 (3) Å 3 Z = 4 Mo K radiation = 0.95 mm À1 T = 173 K 0.54 Â 0.34 Â 0.12 mm Data collection Bruker APEXII CCD diffractometer Absorption correction: integration (XPREP; Bruker, 2005) T min = 0.629, T max = 0.895 9060 measured reflections 3496 independent reflections 2941 reflections with I > 2(I) R int = 0.044
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