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[meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate

In the title compound, [Ni(C(40)H(28)N(4)S(4))]·0.5C(6)H(6), the Ni(II) atom 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 16.24 (5)–22....

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Autores principales: Prasath, R., Bhavana, P., Gupta, Sushil K., Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884990/
https://www.ncbi.nlm.nih.gov/pubmed/24454165
http://dx.doi.org/10.1107/S1600536813030468
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author Prasath, R.
Bhavana, P.
Gupta, Sushil K.
Butcher, Ray J.
author_facet Prasath, R.
Bhavana, P.
Gupta, Sushil K.
Butcher, Ray J.
author_sort Prasath, R.
collection PubMed
description In the title compound, [Ni(C(40)H(28)N(4)S(4))]·0.5C(6)H(6), the Ni(II) atom 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 16.24 (5)–22.47 (5)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 21.36 (4) and 23.87 (4)°; each pair of rings is oriented in opposite directions. The methyl­thienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 75.98 (2)–88.70 (5)°. All four methyl­thienyl groups are disordered over two sets of sites, as is commonly found with such groups, with occupancies of 0.553 (8):0.447 (8), 0.579 (7):0.421 (7), 0.796 (6):0.204 (6) and 0.956 (7):0.044 (7). The benzene solvent mol­ecule was found to be present in half-occupancy.
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spelling pubmed-38849902014-01-17 [meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate Prasath, R. Bhavana, P. Gupta, Sushil K. Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Ni(C(40)H(28)N(4)S(4))]·0.5C(6)H(6), the Ni(II) atom 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 16.24 (5)–22.47 (5)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 21.36 (4) and 23.87 (4)°; each pair of rings is oriented in opposite directions. The methyl­thienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 75.98 (2)–88.70 (5)°. All four methyl­thienyl groups are disordered over two sets of sites, as is commonly found with such groups, with occupancies of 0.553 (8):0.447 (8), 0.579 (7):0.421 (7), 0.796 (6):0.204 (6) and 0.956 (7):0.044 (7). The benzene solvent mol­ecule was found to be present in half-occupancy. International Union of Crystallography 2013-11-13 /pmc/articles/PMC3884990/ /pubmed/24454165 http://dx.doi.org/10.1107/S1600536813030468 Text en © Prasath et al. 2013 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.
Gupta, Sushil K.
Butcher, Ray J.
[meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate
title [meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate
title_full [meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate
title_fullStr [meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate
title_full_unstemmed [meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate
title_short [meso-5,10,15,20-Tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) benzene hemisolvate
title_sort [meso-5,10,15,20-tetra­kis(3-methyl­thio­phen-2-yl)porphyrinato-κ(4) n,n′,n′′,n′′′]nickel(ii) benzene hemisolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884990/
https://www.ncbi.nlm.nih.gov/pubmed/24454165
http://dx.doi.org/10.1107/S1600536813030468
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