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[meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)

The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0 (3)–18...

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Autores principales: Prasath, R., Bhavana, P., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343861/
https://www.ncbi.nlm.nih.gov/pubmed/22589835
http://dx.doi.org/10.1107/S1600536812011671
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author Prasath, R.
Bhavana, P.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Prasath, R.
Bhavana, P.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Prasath, R.
collection PubMed
description The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromo­thienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supra­molecular chains along [001] are formed through C—H⋯Br inter­actions in the crystal packing. Three of the four bromo­thienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions.
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spelling pubmed-33438612012-05-15 [meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromo­thienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supra­molecular chains along [001] are formed through C—H⋯Br inter­actions in the crystal packing. Three of the four bromo­thienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions. International Union of Crystallography 2012-03-24 /pmc/articles/PMC3343861/ /pubmed/22589835 http://dx.doi.org/10.1107/S1600536812011671 Text en © Prasath et al. 2012 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
Prasath, R.
Bhavana, P.
Ng, Seik Weng
Tiekink, Edward R. T.
[meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
title [meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
title_full [meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
title_fullStr [meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
title_full_unstemmed [meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
title_short [meso-5,10,15,20-Tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
title_sort [meso-5,10,15,20-tetra­kis(5-bromo­thio­phen-2-yl)porphyrinato-κ(4) n,n′,n′′,n′′′]nickel(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343861/
https://www.ncbi.nlm.nih.gov/pubmed/22589835
http://dx.doi.org/10.1107/S1600536812011671
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