title: A supramolecular zigzag chain of organometallic dipoles mediated by PF6- anions.
abstract: The title compound, (eta5-cyclopentadienyl)(4-nitrobenzonitrile-kappaN)(trimethylphosphine-kappaP)(triphenylphosphite-kappaP)iron(II) hexafluorophosphate, [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...F(delta-) interactions, with H...F distances ranging from 2.39 to 2.67 A. Each zigzag chain is composed of isomeric organometallic fragments containing either R or S molecules. These chains are connected through weak intermolecular C-H...C interactions, forming a two-dimensional plane parallel to (101).
authors.affiliation: Centro de Química Estrutural, Instituto Superior Técnico, Avenida Rovisco Pais, 1049-001 Lisboa, Portugal. teresa.duarte@ist.utl.pt
authors.forename: M Teresa
authors.initials: MT
authors.lastname: Duarte
authors.forename: M Fátima M
authors.initials: MF
authors.lastname: Piedade
authors.forename: M Paula
authors.initials: MP
authors.lastname: Robalo
authors.forename: António P S
authors.initials: AP
authors.lastname: Teixeira
authors.forename: M Helena
authors.initials: MH
authors.lastname: Garcia