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Crystal structure of (diethyl ether-κO)[5,10,15,20-tetra­kis­(2-iso­thio­cyanato­phen­yl)porphyrinato-κ(4) N]zinc diethyl ether solvate

The crystal structure of the title compound, [Zn(C(48)H(24)N(8)S(4))(C(4)H(10)O)]·C(4)H(10)O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The Zn(II) cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol­...

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Detalles Bibliográficos
Autores principales: Leben, Lisa, Schaub, Eike, Näther, Christian, Herges, Rainer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218912/
https://www.ncbi.nlm.nih.gov/pubmed/30443391
http://dx.doi.org/10.1107/S2056989018014238
Descripción
Sumario:The crystal structure of the title compound, [Zn(C(48)H(24)N(8)S(4))(C(4)H(10)O)]·C(4)H(10)O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The Zn(II) cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol­ecule in a slightly distorted square-pyramidal environment with the diethyl ether mol­ecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether mol­ecule. All four iso­thio­cyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate mol­ecules are located around a twofold rotation axis. The O atom of the solvent mol­ecule is not positioned exactly on the twofold rotation axis, thus making the whole mol­ecule equally disordered over two symmetry-related positions.