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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....
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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. |
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