Information card for entry 4118563

Structure parameters

• Formula: Ge16 K14 Zn
• Calculated formula: Ge16 K14 Zn
• SMILES: [K+].[K+].[K+].[Ge]12[Ge]3[Ge]1[Ge]23.[K+].[K+].[K+].[K+].[Ge]12[Ge]34[Ge]1[Ge]24[Zn]123[Ge]34[Ge]5[Ge]13[Ge]245.[K+].[K+].[K+].[Ge]12[Ge]3[Ge]1[Ge]23.[K+].[K+].[K+].[K+]
• Title of publication: Soluble Zintl Phases A14ZnGe16 (A= K, Rb) Featuring [(η3-Ge4)Zn(η2-Ge4)]6- and [Ge4]4- Clusters and the Isolation of [(MesCu)2(η3,η3-Ge4)]4-: The Missing Link in the Solution Chemistry of Tetrahedral Group 14 Element Zintl Clusters
• Authors of publication: Saskia Stegmaier; Markus Waibel; Alexander Henze; Laura-Alice Jantke; Antti J. Karttunen; Thomas F. Fässler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 14450 - 14460
• a: 20.1357 ± 0.0005 Å
• b: 6.9934 ± 0.0002 Å
• c: 14.0398 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1977.04 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.0186
• Weighted residual factors for all reflections included in the refinement: 0.0189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No