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Crystal structure of (diethyl ether-κO)[5,10,15,20-tetra-kis-(2-iso-thio-cyanato-phen-yl)porphyrinato-κ4 N]zinc diethyl ether solvate.

ABSTRACT: The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol-ecule in a slightly distorted square-pyramidal environment with the diethyl ether mol-ecule 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 mol-ecule. All four iso-thio-cyanato 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 mol-ecules are located around a twofold rotation axis. The O atom of the solvent mol-ecule is not positioned exactly on the twofold rotation axis, thus making the whole mol-ecule equally disordered over two symmetry-related positions.

SUBMITTER: Leben L 

PROVIDER: S-EPMC6218912 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of (diethyl ether-κ<i>O</i>)[5,10,15,20-tetra-kis-(2-iso-thio-cyanato-phen-yl)porphyrinato-κ<sup>4</sup> <i>N</i>]zinc diethyl ether solvate.

Leben Lisa L   Schaub Eike E   Näther Christian C   Herges Rainer R  

Acta crystallographica. Section E, Crystallographic communications 20181019 Pt 11

The crystal structure of the title compound, [Zn(C<sub>48</sub>H<sub>24</sub>N<sub>8</sub>S<sub>4</sub>)(C<sub>4</sub>H<sub>10</sub>O)]·C<sub>4</sub>H<sub>10</sub>O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The Zn<sup>II</sup> cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol-ecule in a slightly distorted square-pyramidal environment with the diethyl ether mol-ecule in the apical position. The  ...[more]

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