| Abstract |
The title compound, (eta(5)-cyclopentadienyl)(4-nitrobenzonitrile-kappa N)(trimethylphosphine-kappa P)(triphenylphosphite-kappa P)iron(II) hexa fluorophosphate, [Fe(C5H5)(C7H4N2O2)(C18H15O3P)(C3H9P)]PF6, has been characterized by spectroscopic and X-ray diffraction in order to evaluate the tuning of the electron density at the metal centre and the extension of the pi delocalization on the molecule due to the presence of phosphite and phosphine co-ligands. The compound crystallizes in the centrosymmetric space group P2(1)/c, which destroys the possibility of exhibiting any quadratic non-linear optical properties. The packing shows a supramolecular zigzag chain of antiparallel cations connected via the PF6- anions through C-H center dot center dot center dot Fdelta- interactions, with H center dot center dot center dot F distances ranging from 2.39 to 2.67 angstrom. Each zigzag chain is composed of isomeric organometallic fragments containing either R or S molecules. These chains are connected through weak intermolecular C-H center dot center dot center dot C interactions, forming a two-dimensional plane parallel to (101). |
