Crystal structure of (15,20-bis-(2,3,4,5,6-penta-fluoro-phen-yl)-5,10-{(4-methyl-pyridine-3,5-di-yl)bis-[(sulfanediyl-methyl-ene)[1,1'-biphen-yl]-4',2-di-yl]}porphyrinato)nickel(II) di-chloro-methane x-solvate (x > 1/2).

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 nitro-gen 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 nitro-gen 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 di-chloro-methane solvate mol-ecules 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 ?). Acta Cryst. C71, 9-18].

SUBMITTER: Gutzeit F 

PROVIDER: S-EPMC6775725 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature