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

Seidel, Rüdiger W.; Dietz, Christina; Breidung, Jürgen; Goddard, Richard; Oppel, Iris M.

doi:10.1107/S0108270113023007

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

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Breidung, Jürgen
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Goddard, Richard
Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

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.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-A2E5-4

Abstract

The title compound, [Zn(SiF₆)(C₁₂H₈N₂)₂]•CH₃OH, contains a neutral heteroleptic tris-chelate Zn^II complex, viz. [Zn(SiF₆)(phen)₂] (phen is 1,10-phenanthroline), exhibiting approximate molecular C₂ point-group symmetry. The Zn^II cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a Zn^II 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%).