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Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate

In the title compound, [Fe(C(48)H(36)N(4))(C(4)H(6)N(2))(2)]ClO(4)·1.5C(4)H(8)O, 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 comple...

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Autores principales: Sun, Wenyan, Li, Jianfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971853/
https://www.ncbi.nlm.nih.gov/pubmed/27536394
http://dx.doi.org/10.1107/S2056989016010562
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author Sun, Wenyan
Li, Jianfeng
author_facet Sun, Wenyan
Li, Jianfeng
author_sort Sun, Wenyan
collection PubMed
description In the title compound, [Fe(C(48)H(36)N(4))(C(4)H(6)N(2))(2)]ClO(4)·1.5C(4)H(8)O, 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 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—N(p) (N(p) 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—N(p) 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].
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spelling pubmed-49718532016-08-17 Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate Sun, Wenyan Li, Jianfeng Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [Fe(C(48)H(36)N(4))(C(4)H(6)N(2))(2)]ClO(4)·1.5C(4)H(8)O, 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 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—N(p) (N(p) 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—N(p) 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]. International Union of Crystallography 2016-07-12 /pmc/articles/PMC4971853/ /pubmed/27536394 http://dx.doi.org/10.1107/S2056989016010562 Text en © Sun and Li 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Sun, Wenyan
Li, Jianfeng
Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
title Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
title_full Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
title_fullStr Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
title_full_unstemmed Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
title_short Crystal structure of bis­(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) N)iron(III) perchlorate tetra­hydro­furan sesquisolvate
title_sort crystal structure of bis­(2-methyl-1h-imidazole-κn (3))(meso-tetra-p-tol­ylporphyrinato-κ(4) n)iron(iii) perchlorate tetra­hydro­furan sesquisolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971853/
https://www.ncbi.nlm.nih.gov/pubmed/27536394
http://dx.doi.org/10.1107/S2056989016010562
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