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.
Florian GutzeitChristian NätherRainer HergesPublished in: Acta crystallographica. Section E, Crystallographic communications (2019)
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 NiII 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].
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