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 S 4 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.
Highlights
The structure of the title compound, [Zn4(C40H24N8)4]Á8C3H7NOÁ3H2O, 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
Disordered dimethylformamide and water molecules are present in the crystal, the contributions of which were omitted from refinement
Summary
Redetermination of cyclo-tetrakis(l5,10,15,20-tetra-4-pyridylporphyrinato)tetrazinc(II) dimethylformamide octasolvate trihydrate at 100 K. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A; some non-H atoms missing; R factor = 0.042; wR factor = 0.108; data-to-parameter ratio = 17.5. The structure of the title compound, [Zn4(C40H24N8)4]Á8C3H7NOÁ3H2O, 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. Disordered dimethylformamide and water molecules are present in the crystal, the contributions of which were omitted from refinement.
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