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キーワード:
single-crystal X-ray study; T = 100 K; mean σ(C–C) = 0.003 A°; some
non-H atoms missing; R factor = 0.042; wR factor = 0.108; data-to-parameter ratio = 17.5.
要旨:
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.
