Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate

The title complex, [Fe(C64H64N8O4)(C9H8N2)2](CF3O3S)·2C6H5Cl, has an unusual relative orientation of the two planar axial ligands [dihedral angle between the two imidazole planes = 46.55 (9)°]. The average equatorial Fe—N bond length is 1.974 (3) Å; the axial distances are 1.9628 (19) and 1.9932 (19...

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Main Authors:	Jianfeng Li, Allen G. Oliver, W. Robert Scheidt
Format:	Article
Language:	English
Published:	International Union of Crystallography 2019-01-01
Series:	IUCrData
Subjects:	crystal structure iron(III)porphyrin teraphenylporphyrin bis(imidazole) complex
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2414314619000154

id	doaj-8e51b5df30e8414b93dd5eea1af793db
record_format	Article
spelling	doaj-8e51b5df30e8414b93dd5eea1af793db2020-11-24T22:24:07ZengInternational Union of CrystallographyIUCrData2414-31462019-01-0141x19001510.1107/S2414314619000154pk4022Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvateJianfeng Li0Allen G. Oliver1W. Robert Scheidt2College of Materials Science and Optoelectronic Technology, University of Chinese Academy of Sciences, YanQi Lake, HuaiRou District, Beijing 101408, ChinaDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, USADepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, USAThe title complex, [Fe(C64H64N8O4)(C9H8N2)2](CF3O3S)·2C6H5Cl, has an unusual relative orientation of the two planar axial ligands [dihedral angle between the two imidazole planes = 46.55 (9)°]. The average equatorial Fe—N bond length is 1.974 (3) Å; the axial distances are 1.9628 (19) and 1.9932 (19) Å. The porphyrin core displays modest ruffling. Disorder is modeled for three of the tert-butyl groups of the pickets. In the crystal, a modest π–π interaction exists between adjacent phenyl rings related by an inversion center, and hydrogen bonds connect the trifluoromethanesulfonate oxygen atoms to the amide groups of the picket substituents.http://scripts.iucr.org/cgi-bin/paper?S2414314619000154crystal structureiron(III)porphyrinteraphenylporphyrinbis(imidazole) complex
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Jianfeng Li Allen G. Oliver W. Robert Scheidt
spellingShingle	Jianfeng Li Allen G. Oliver W. Robert Scheidt Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate IUCrData crystal structure iron(III)porphyrin teraphenylporphyrin bis(imidazole) complex
author_facet	Jianfeng Li Allen G. Oliver W. Robert Scheidt
author_sort	Jianfeng Li
title	Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate
title_short	Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate
title_full	Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate
title_fullStr	Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate
title_full_unstemmed	Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate
title_sort	bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(iii) trifluoromethanesulfonate chlorobenzene disolvate
publisher	International Union of Crystallography
series	IUCrData
issn	2414-3146
publishDate	2019-01-01
description	The title complex, [Fe(C64H64N8O4)(C9H8N2)2](CF3O3S)·2C6H5Cl, has an unusual relative orientation of the two planar axial ligands [dihedral angle between the two imidazole planes = 46.55 (9)°]. The average equatorial Fe—N bond length is 1.974 (3) Å; the axial distances are 1.9628 (19) and 1.9932 (19) Å. The porphyrin core displays modest ruffling. Disorder is modeled for three of the tert-butyl groups of the pickets. In the crystal, a modest π–π interaction exists between adjacent phenyl rings related by an inversion center, and hydrogen bonds connect the trifluoromethanesulfonate oxygen atoms to the amide groups of the picket substituents.
topic	crystal structure iron(III)porphyrin teraphenylporphyrin bis(imidazole) complex
url	http://scripts.iucr.org/cgi-bin/paper?S2414314619000154
work_keys_str_mv	AT jianfengli bis1phenylimidazole5101520tetrakis2pivalamidophenylporphinatoironiiitrifluoromethanesulfonatechlorobenzenedisolvate AT allengoliver bis1phenylimidazole5101520tetrakis2pivalamidophenylporphinatoironiiitrifluoromethanesulfonatechlorobenzenedisolvate AT wrobertscheidt bis1phenylimidazole5101520tetrakis2pivalamidophenylporphinatoironiiitrifluoromethanesulfonatechlorobenzenedisolvate
_version_	1725762082067972096

Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate

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