Title of article
Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1′-biphenyl]-4′,2-diyl]}porphyrinato)nickel(II) dichloromethane x-solvate (x > 1/2)
Author/Authors
Gutzeit, Florian Otto-Diels-Institut für Organische Chemie - Christian-Albrechts-Universität Kiel, Germany , Näther, Christian Institut für Anorganische Chemie - Christian-Albrechts-Universität Kiel, Germany , Neumann, Tjorge Otto-Diels-Institut für Organische Chemie - Christian-Albrechts-Universität Kiel, Germany , Herges, Rainer Otto-Diels-Institut für Organische Chemie - Christian-Albrechts-Universität Kiel, Germany
Pages
16
From page
1
To page
16
Abstract
The title compound, [Ni(C64H33F10N5S2)]·xCH2Cl2, consists of discrete NiII porphyrin complexes, in which the five-coordinate NiII cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitrogen atoms are located in the basal plane of the pyramid, whereas the pyridine N atom is in the apical position. The porphyrin plane is strongly distorted and the NiII cation is located above this plane by 0.241 (3) Å and shifted in the direction of the coordinating pyridine nitrogen atom. The pyridine ring is not perpendicular to the N4 plane of the porphyrin moiety, as observed for related compounds. In the crystal, the complexes are linked via weak C—H⋯F hydrogen bonds into zigzag chains propagating in the [001] direction. Within this arrangement cavities are formed, in which highly disordered dichloromethane solvate molecules are located. No reasonable structural model could be found to describe this disorder and therefore the contribution of the solvent to the electron density was removed using the SQUEEZE option in PLATON [Spek (2015[Spek, A. L. (2015). Acta Cryst. C71, 9-18.]). Acta Cryst. C71, 9–18].
Keywords
solvate , C—H⋯F hydrogen bonding , crystal structure , nickel porphyrin , square-pyramidal NiII coordination
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2019
Record number
2625292
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