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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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Detalles Bibliográficos
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
Descripción
Sumario: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.