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Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]

The title compound, [Fe(2)(C(44)H(28)N(4)O)(2)O], was obtained as a by-product during the synthesis of Fe(III) tetra­phenyl­porphyrin perchlorate. It crystallizes as a new polymorphic modification in addition to the ortho­rhom­bic form previously reported [Hoffman et al. (1972 ▸). J. Am. Chem. Soc....

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Autores principales: Peters, Morten K., Näther, Christian, Herges, Rainer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658976/
https://www.ncbi.nlm.nih.gov/pubmed/31391997
http://dx.doi.org/10.1107/S2056989019007576
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author Peters, Morten K.
Näther, Christian
Herges, Rainer
author_facet Peters, Morten K.
Näther, Christian
Herges, Rainer
author_sort Peters, Morten K.
collection PubMed
description The title compound, [Fe(2)(C(44)H(28)N(4)O)(2)O], was obtained as a by-product during the synthesis of Fe(III) tetra­phenyl­porphyrin perchlorate. It crystallizes as a new polymorphic modification in addition to the ortho­rhom­bic form previously reported [Hoffman et al. (1972 ▸). J. Am. Chem. Soc. 94, 3620–3626; Swepston & Ibers (1985 ▸) Acta Cryst. C41, 671–673; Kooijmann et al. (2007 ▸). Private Communication (refcode 667666). CCDC, Cambridge, England]. In its crystal structure, the two crystallographically independent Fe(III) cations are coordinated in a square-planar environment by the four N atoms of a tetra­phenyl­porphyrin ligand. The Fe(III)-tetra­phenyl­porphyrine units are linked by a μ(2)-oxido ligand into a dimer with an Fe—O—Fe angle close to linearity. The final coordination sphere for each Fe(III) atom is square-pyramidal with the μ(2)-oxido ligand in the apical position. The crystal under investigation consisted of two domains in a ratio of 0.691 (3): 0.309 (3).
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spelling pubmed-66589762019-08-07 Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)] Peters, Morten K. Näther, Christian Herges, Rainer Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Fe(2)(C(44)H(28)N(4)O)(2)O], was obtained as a by-product during the synthesis of Fe(III) tetra­phenyl­porphyrin perchlorate. It crystallizes as a new polymorphic modification in addition to the ortho­rhom­bic form previously reported [Hoffman et al. (1972 ▸). J. Am. Chem. Soc. 94, 3620–3626; Swepston & Ibers (1985 ▸) Acta Cryst. C41, 671–673; Kooijmann et al. (2007 ▸). Private Communication (refcode 667666). CCDC, Cambridge, England]. In its crystal structure, the two crystallographically independent Fe(III) cations are coordinated in a square-planar environment by the four N atoms of a tetra­phenyl­porphyrin ligand. The Fe(III)-tetra­phenyl­porphyrine units are linked by a μ(2)-oxido ligand into a dimer with an Fe—O—Fe angle close to linearity. The final coordination sphere for each Fe(III) atom is square-pyramidal with the μ(2)-oxido ligand in the apical position. The crystal under investigation consisted of two domains in a ratio of 0.691 (3): 0.309 (3). International Union of Crystallography 2019-05-31 /pmc/articles/PMC6658976/ /pubmed/31391997 http://dx.doi.org/10.1107/S2056989019007576 Text en © Peters et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Peters, Morten K.
Näther, Christian
Herges, Rainer
Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]
title Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]
title_full Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]
title_fullStr Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]
title_full_unstemmed Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]
title_short Crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)]
title_sort crystal structure of a polymorph of μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato)iron(iii)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658976/
https://www.ncbi.nlm.nih.gov/pubmed/31391997
http://dx.doi.org/10.1107/S2056989019007576
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