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  (Hexafluorosilicato-ƙ-2F,F')bis(1,10-phenanthroline-ƙ2N,N')zinc(II) methanol monosolvate

Seidel, R. W., Dietz, C., Breidung, J., Goddard, R., & Oppel, I. M. (2013). (Hexafluorosilicato-ƙ-2F,F')bis(1,10-phenanthroline-ƙ2N,N')zinc(II) methanol monosolvate. Acta Crystallographica, Section C: Crystal Structure Communications, 69(10), 1112-1115. doi:10.1107/S0108270113023007.

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 Creators:
Seidel, Rüdiger W.1, Author
Dietz, Christina2, Author
Breidung, Jürgen3, Author              
Goddard, Richard4, Author              
Oppel, Iris M.5, Author
Affiliations:
1Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstrasse 150, 44780 Bochum, Germany, ou_persistent22              
2Lehrstuhl für Anorganische Chemie, Technische Universität Dortmund, Otto-Hahn-Strasse 6, 44227 Dortmund, Germany, ou_persistent22              
3Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
4Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              
5Institut für Anorganische Chemie, Rheinisch-Westfälische Technische Hochschule Aachen, 52074 Aachen, Germany, ou_persistent22              

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Free keywords: crystal structure; zinc complex; coordination compound; hexafluorosilicate ligand; density functional theory (DFT) calculations
 Abstract: The title compound, [Zn(SiF6)(C12H8N2)2]•CH3OH, contains a neutral heteroleptic tris-chelate ZnII complex, viz. [Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate molecular C2 point-group symmetry. The ZnII cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a ZnII complex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%).

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Language(s): eng - English
 Dates: 2013-08-052013-08-152013-09-062013-10-15
 Publication Status: Published in print
 Pages: 4
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S0108270113023007
 Degree: -

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Title: Acta Crystallographica, Section C: Crystal Structure Communications
  Other : Acta Crystallogr., Sect. C: Cryst. Struct. Commun.
Source Genre: Journal
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Publ. Info: Copenhagen, Denmark : Published for International Union of Crystallography by Munksgaard
Pages: 4 Volume / Issue: 69 (10) Sequence Number: - Start / End Page: 1112 - 1115 Identifier: ISSN: 0108-2701
CoNE: https://pure.mpg.de/cone/journals/resource/110987085479123