Powell, M.; Bailey, R. D.; Eagle, C. T.; Schimek, G. L.; Hanks, T. W.; Pennington, W. T. Dicarbonyl(η5-cyclopentadienyl)(pyrrolyl-N)iron(II). Acta Crystallogr. , Sect. C: Cryst. Struct. Commun. 1997, 53, 1611-1613.
The crystal structure of the title compound, [Fe(C5H5)(C4H4N)(CO)2], shows a discrete molecular structure with a distorted tetrahedral geometry about the Fe atom. The bond angles between the ligands in the tripod and the Fe-Cpcentroid vector range from 121.9 to 123.7 (3)°, and the angles between the tripod ligands range from 90.5 (4) to 96.0 (4)°. The mean Fe-Ccarbonyl and Fe-CCp distances are 1.776 (4) and 2.098 (16) Å, respectively, [Fe-Cpcentroid 1.722 (4) Å] and the Fe-Npyrrole distance is 1.962 (3) Å. The Cp and pyrrole rings are both planar (maximum deviations of 0.007 and 0.006 Å, respectively). The rotational orientation of the Cp ring with respect to the tripod ligands is approximately eclipsed with respect to the Fe-Npyrrole bond [N(1)-Fe(1)-Cpcentroid-C(8) -3.1°]. The dihedral angle between the pyrrole ring and the N(1)-Fe(1)-Cpcentroid plane is 73.7°.
Acta Crystallographica Section C Crystal Structure Communications