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Crystal structure of bis-(1-ethyl-1H-imidazole-?N3)(5,10,15,20-tetra-phenyl-porphyrinato-?4N)iron(II) tetra-hydro-furan monosolvate.

ABSTRACT: The title complex, [Fe(C44H28N4)(C5H8N2)2]·C4H8O, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethyl-imidazole ligands in the axial sites; the complex crystallizes with a tetra-hydro-furan solvent mol-ecule. The average Fe-Np (Np is a porphyrin N atom) bond length is 1.995?(3)?Å and the axial Fe-NIm (NIm is an imidazole N atom) bond length is 1.994?(2)?Å. The two 1-ethyl-imidazole ligands are mutually parallel. The dihedral angle between the 1-ethyl-imidazole plane and the plane of the closest Fe-Np vector is 24.5°. In the crystal, the only significant inter-molecular inter-actions present are C-H?? inter-actions.

SUBMITTER: Ding W

PROVIDER: S-EPMC6002823 | biostudies-other | 2018 Jun

REPOSITORIES: biostudies-other

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Crystal structure of bis-(1-ethyl-1H-imidazole-κN3)(5,10,15,20-tetra-phenyl-porphyrinato-κ4N)iron(II) tetra-hydro-furan monosolvate.

Ding Wei W Li Jianfeng J

Acta crystallographica. Section E, Crystallographic communications 20180501 Pt 6

The title complex, [Fe(C44H28N4)(C5H8N2)2]·C4H8O, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethyl-imidazole ligands in the axial sites; the complex crystallizes with a tetra-hydro-furan solvent mol-e ...[more]

PMID: 29951227

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