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Redetermination of cyclo-tetrakis(μ-5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate trihydrate at 100 K

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons58578

Goddard,  Richard
Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Seidel, R. W., Graf, J., Goddard, R., & Oppel, I. M. (2011). Redetermination of cyclo-tetrakis(μ-5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate trihydrate at 100 K. Acta Crystallographica Section E: Structure Reports Online, 67(2), m236-m237. doi:10.1107/S1600536811002054.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0014-C9A4-9
Abstract
The structure of the title compound, [Zn4(C40H24N8)4]·8C3H7NO·3H2O, has been redetermined at 100 K. The redetermination is of significantly higher precision and gives further insight into the disorder of pyridyl groups and solvent molecules. The molecules of (5,10,15,20-tetra-4-pyridylporphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetramers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related molecule. The tetramer so formed exhibits molecular S4 symmetry and is located about a crystallographic fourfold rotoinversion axis. Severely disordered dimethylformamide and water molecules are present in the crystal, the contributions of which were omitted from refinement. Intermolecular C-H...N hydrogen bonding is observed.