Title of article :
Crystal structure of bis­­(2-methyl-1H-imidazole-κN3)(meso-tetra-p-tol­ylporphyrinato-κ4N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
Author/Authors :
Suna, Wenyan College of Materials Science and Optoelectronic Technology - University of Chinese Academy of Sciences, People's Republic of China , Li, Jianfeng College of Materials Science and Optoelectronic Technology - University of Chinese Academy of Sciences, People's Republic of China
Pages :
19
From page :
1
To page :
19
Abstract :
In the title compound, [Fe(C48H36N4)(C4H6N2)2]ClO4·1.5C4H8O, the iron(III) metal is coordinated in a distorted octa­hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methyl­imidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacements Ca, Cb, Cm and Cav 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-methyl­imidazole ligands are nearly perpendicular and form a dihedral angle of 86.93 (10)°. The dihedral angles between the 2-methyl­imidazole ligands and the closest Fe—Np vector are 38.04 (9) and 35.00 (7)°. In the crystal, the complex cations inter­act with the perchlorate anions through N—H⋯O hydrogen bonds, forming chains running parallel to [110].
Keywords :
hydrogen bonding , hydrogen bonding , highly ruffled porphyrin core , iron(III) , meso-tetra­kis­(p-tol­yl)porphyrinato , 2-methyl­imidazole , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2016
Full Text URL :
Record number :
2618547
Link To Document :
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