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

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.

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 Creators:
Seidel, Rüdiger W.1, Author
Graf, Jürgen2, Author
Goddard, Richard3, Author           
Oppel, Iris M.4, Author
Affiliations:
1Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstrasse 150, 44780 Bochum, Germany, ou_persistent22              
2Incoatec GmbH, Max-Planck-Strasse 2, 21502 Geesthacht, Germany, ou_persistent22              
3Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              
4Institut für Anorganische Chemie, Rheinisch-Westfälische Technische Hochschule Aachen, Landoltweg 1, 52074 Aachen, Germany, ou_persistent22              

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Free keywords: 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.
 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.

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Language(s): eng - English
 Dates: 2010-12-022011-01-132011-01-22
 Publication Status: Published online
 Pages: 2
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S1600536811002054
 Degree: -

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Title: Acta Crystallographica Section E: Structure Reports Online
  Other : Struct. Rep. Online
  Other : Structure Reports Online
  Abbreviation : Acta Crystallogr., Sect. E: Struct. Rep. Online
Source Genre: Journal
 Creator(s):
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Publ. Info: Chester, UK : International Union of Crystallography
Pages: 2 Volume / Issue: 67 (2) Sequence Number: - Start / End Page: m236 - m237 Identifier: ISSN: 1600-5368
CoNE: https://pure.mpg.de/cone/journals/resource/954925468297