Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 10 (October 2013)

metal-organic compounds

Acta Cryst. (2013). C69, 1112-1115    [ doi:10.1107/S0108270113023007 ]

(Hexa­fluoro­silicato-[kappa]2F,F')bis­(1,10-phenanthroline-[kappa]2N,N')zinc(II) methanol monosolvate

R. W. Seidel, C. Dietz, J. Breidung, R. Goddard and I. M. Oppel

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%).

Formula: [Zn(SiF6)(C12H8N2)2]·CH4O

Keywords: crystal structure; zinc complex; coordination compound; hexa­fluoro­silicate ligand; density functional theory (DFT) calculations.

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MDL mol file (2.9 kbytes)
[ doi:10.1107/S0108270113023007/sk3504Isup3.mol ]
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