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Redetermination of cyclo-tetra-kis-(?-5,10,15,20-tetra-4-pyridyl-porphyrinato)tetra-zinc(II) dimethyl-formamide octa-solvate trihydrate at 100?K.

ABSTRACT: The structure of the title compound, [Zn(4)(C(40)H(24)N(8))(4)]·8C(3)H(7)NO·3H(2)O, 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 mol-ecules. The mol-ecules of (5,10,15,20-tetra-4-pyridyl-porphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetra-mers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related mol-ecule. The tetra-mer so formed exhibits mol-ecular S(4) symmetry and is located about a crystallographic fourfold rotoinversion axis. Severely disordered dimethyl-formamide and water mol-ecules are present in the crystal, the contributions of which were omitted from refinement. Inter-molecular C-H?N hydrogen bonding is observed.

SUBMITTER: Seidel RW 

PROVIDER: S-EPMC3051794 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Redetermination of cyclo-tetra-kis-(μ-5,10,15,20-tetra-4-pyridyl-porphyrinato)tetra-zinc(II) dimethyl-formamide octa-solvate trihydrate at 100 K.

Seidel Rüdiger W RW   Graf Jürgen J   Goddard Richard R   Oppel Iris M IM  

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

The structure of the title compound, [Zn(4)(C(40)H(24)N(8))(4)]·8C(3)H(7)NO·3H(2)O, 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 mol-ecules. The mol-ecules of (5,10,15,20-tetra-4-pyridyl-porphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetra-mers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related mol-ecule. The tetra-mer s  ...[more]

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