Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate

In the title complex, [Fe(C(64)H(64)N(8)O(4))Cl]·0.5C(6)H(5)Cl·H(2)O, the equatorial iron–pyrrole N atom distance (Fe—N(p)) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit c...

Descripción completa

Detalles Bibliográficos
Autores principales: Dhifet, Mondher, Belkhiria, Mohamed Salah, Daran, Jean-Claude, Nasri, Habib
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099838/
https://www.ncbi.nlm.nih.gov/pubmed/21753977
http://dx.doi.org/10.1107/S1600536811009299
_version_ 1782204096862748672
author Dhifet, Mondher
Belkhiria, Mohamed Salah
Daran, Jean-Claude
Nasri, Habib
author_facet Dhifet, Mondher
Belkhiria, Mohamed Salah
Daran, Jean-Claude
Nasri, Habib
author_sort Dhifet, Mondher
collection PubMed
description In the title complex, [Fe(C(64)H(64)N(8)O(4))Cl]·0.5C(6)H(5)Cl·H(2)O, the equatorial iron–pyrrole N atom distance (Fe—N(p)) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit contains a quarter of an [Fe(III)(C(64)H(64)N(8)O(4))Cl] complex mol­ecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered mol­ecules of chloro­benzene and water of solvation; the solvent mol­ecules were excluded from the refinement.
format Text
id pubmed-3099838
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30998382011-07-13 Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate Dhifet, Mondher Belkhiria, Mohamed Salah Daran, Jean-Claude Nasri, Habib Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title complex, [Fe(C(64)H(64)N(8)O(4))Cl]·0.5C(6)H(5)Cl·H(2)O, the equatorial iron–pyrrole N atom distance (Fe—N(p)) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit contains a quarter of an [Fe(III)(C(64)H(64)N(8)O(4))Cl] complex mol­ecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered mol­ecules of chloro­benzene and water of solvation; the solvent mol­ecules were excluded from the refinement. International Union of Crystallography 2011-03-15 /pmc/articles/PMC3099838/ /pubmed/21753977 http://dx.doi.org/10.1107/S1600536811009299 Text en © Dhifet et al. 2011 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 Metal-Organic Papers
Dhifet, Mondher
Belkhiria, Mohamed Salah
Daran, Jean-Claude
Nasri, Habib
Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate
title Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate
title_full Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate
title_fullStr Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate
title_full_unstemmed Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate
title_short Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate
title_sort chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ(4) n,n′,n′′,n′′′}iron(iii) chloro­benzene hemisolvate monohydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099838/
https://www.ncbi.nlm.nih.gov/pubmed/21753977
http://dx.doi.org/10.1107/S1600536811009299
work_keys_str_mv AT dhifetmondher chlorido5101520tetrakis222dimethylpropanamidophenylporphyrinatok4nnnnironiiichlorobenzenehemisolvatemonohydrate
AT belkhiriamohamedsalah chlorido5101520tetrakis222dimethylpropanamidophenylporphyrinatok4nnnnironiiichlorobenzenehemisolvatemonohydrate
AT daranjeanclaude chlorido5101520tetrakis222dimethylpropanamidophenylporphyrinatok4nnnnironiiichlorobenzenehemisolvatemonohydrate
AT nasrihabib chlorido5101520tetrakis222dimethylpropanamidophenylporphyrinatok4nnnnironiiichlorobenzenehemisolvatemonohydrate

Ejemplares similares