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Crystal structure of [5-n-butyl-10-(2,5-di­meth­oxy­phen­yl)-2,3,7,8,13,12,17,18-octa­ethyl­porphyrin­ato]nickel(II)

The asymmetric unit of the title nickel(II) porphyrin, [Ni(C(48)H(60)N(4)O(2))], contains one independent mol­ecule. The average Ni—N bond length is 1.917 (13) Å. The mol­ecules are arranged in a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dime...

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Detalles Bibliográficos
Autores principales: Flanagan, Keith J., Mothi, Ebrahim M., Kötzner, Lisa, Senge, Mathias O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645047/
https://www.ncbi.nlm.nih.gov/pubmed/26594519
http://dx.doi.org/10.1107/S2056989015020058
Descripción
Sumario:The asymmetric unit of the title nickel(II) porphyrin, [Ni(C(48)H(60)N(4)O(2))], contains one independent mol­ecule. The average Ni—N bond length is 1.917 (13) Å. The mol­ecules are arranged in a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dimers. The nickel(II) porphyrin is characterized by a significant degree of a ruffled (B (1u)) conformation with small contributions from saddle (B (2u)) and wave (y) [E(g)(y)], as determined using normal structural decomposition. Disorder in the 2,5-di­­meth­oxy­phenyl substituent was modelled over two positions with a 60% occupancy for the major moiety. One of the ethyl groups is also disordered over two positions and was modelled with the major moiety being present in 51.3% occupancy.