Crystal structure of (15,20-bis-(2,3,4,5,6-penta-fluoro-phen-yl)-5,10-{(pyridine-3,5-di-yl)bis-[(sulfane-diyl-methyl-ene)[1,1'-biphen-yl]-4',2-di-yl]}porph-yrin-ato)nickel(II) di-chloro-methane x-solvate (x > 1/2) showing a rare CN5 coordination.

ABSTRACT: The crystal structure of the title compound, [Ni(C₆₃H₃₁F₁₀N₅S₂)]·xCH₂Cl₂ (x > 1/2), consists of Ni-porphyrin complexes that are located in general positions and di-chloro-methane solvent mol-ecules that are disordered around centers of inversion. The Ni^II ions are in a square-pyramidal (CN5) coordination, with four porphyrin N atoms in the equatorial and a pyridine N atom in the apical position and are shifted out of the porphyrine N₄ plane towards the coordinating pyridine N atom. The pyridine substituent is not exactly perpendicular to the N₄ plane with an angle of inter-section between the planes planes of 80.48?(6)°. The di-chloro-methane solvent mol-ecules are hydrogen bonded to one of the four porphyrine N atoms. Two complexes are linked into dimers by two symmetry-equivalent C-H?S hydrogen bonds. These dimers are closely packed, leading to cavities in which additional di-chloro-methane solvent mol-ecules are embedded. These solvent mol-ecules are disordered and because no reasonable split model was found, the data were corrected for disordered solvent using the PLATON SQUEEZE routine [Spek (2015 ?). Acta Cryst. C71, 9-18].

SUBMITTER: Gutzeit F 

PROVIDER: S-EPMC6690462 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature