title: Crystal structure of bis-(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol-ylporphyrinato-κ(4) N)iron(III) perchlorate tetra-hydro-furan sesquisolvate.
abstract: In the title compound, [Fe(C48H36N4)(C4H6N2)2]ClO4·1.5C4H8O, the iron(III) metal is coordinated in a distorted octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methyl-imidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacements C a, C b, C m and C av of 0.25 (5), 0.17 (12), 0.432 (16) and 0.25 (13) Å, respectively. One of the four phenyl groups of the porphyrin is disordered over two sets of sites with refined occupancy ratio of 0.718 (7):0.282 (7). The mean Fe-Np (Np is a porphyrin N atom) bond length [1.975 (9) Å] indicates the low-spin state of the iron atom. The two 2-methyl-imidazole ligands are nearly perpendicular and form a dihedral angle of 86.93 (10)°. The dihedral angles between the 2-methyl-imidazole ligands and the closest Fe-Np vector are 38.04 (9) and 35.00 (7)°. In the crystal, the complex cations inter-act with the perchlorate anions through N-H⋯O hydrogen bonds, forming chains running parallel to [110].
authors.affiliation: College of Materials Science and Optoelectronic Technology, University of Chinese Academy of Sciences, Yianqi Lake, Huairou District, Beijing, 101408, People's Republic of China.
authors.forename: Wenyan
authors.initials: W
authors.lastname: Sun
authors.affiliation: College of Materials Science and Optoelectronic Technology, University of Chinese Academy of Sciences, Yianqi Lake, Huairou District, Beijing, 101408, People's Republic of China.
authors.forename: Jianfeng
authors.initials: J
authors.lastname: Li
keywords: 2-methyl­imidazole; crystal structure; highly ruffled porphyrin core; hydrogen bonding; iron(III); meso-tetra­kis­(p-tol­yl)porphyrinato