(Hexafluorosilicato-κ2F,F′)bis(1,10-phenanthroline-κ2N,N′)zinc(II) methanol monosolvate

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 69; no. 10; pp. 1112 - 1115
• Main Authors: Seidel, Rüdiger W., Dietz, Christina, Breidung, Jürgen, Goddard, Richard, Oppel, Iris M.
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.10.2013; Wiley Subscription Services, Inc
• Subjects: Cations; Chemical bonds; Coefficients; coordination compound; Crystal structure; Crystallography; density functional theory (DFT) calculations; hexafluorosilicate ligand; Hydrogen bonds; Ligands; Methyl alcohol; Molecular chemistry; Molecular structure; Solvents; zinc complex
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270113023007

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%).