X-RAY CRYSTAL-STRUCTURE OF MU-OXO-BIS[(1-METHYLIMIDAZOLE)-PHTHALOCYANINATOIRON(III)] AND COMMENTS ON THE MOLECULAR-STRUCTURE AND CHEMISTRY OF OXO-BRIDGED IRON PHTHALOCYANINATE DIMERS

Single-crystal X-ray work has been carried out on crystals containing the 1-methylimidazole adduct of mu-oxo-bis[(phthalocyaninato)iron(III)], [{Fe(pc)(mim)}2O].[Fe(pc)(mim)2].3Me2CO. The crystals are monoclinic, space group C2/c, with a = 35.236(5), b = 14.173(2), c = 23.220(3) angstrom, beta = 103.56(10)-degrees and Z = 4. The structure was solved and refined using all data including zero intensities (5739). Only the atoms of the mu-oxo dimer were refined anisotropically because of data limitations. The Fe atoms in [{Fe(pc)(mim)}2O] are nominally centred in the phthalocyanine plane, with an average Fe-N(pc) of 1.92(3) angstrom and six-co-ordinate, with Fe-O 1.749(1) angstrom and Fe-N(mim) 2.039(7) angstrom. The Fe-O-Fe angle is 175.1-degrees. X-Ray data for [Fe(pc)(mim)2] are as expected for six-co-ordinate low-spin nitrogen-containing base adducts of [Fe(pc)]. The crystal data are discussed in the light of similar results on [{Fe(pc)(mim)}2C] are related compounds.