Information card for entry 4118565

Structure parameters

• Formula: C42 H92.5 Cu2 Ge4 K4 N7.5 O12
• Calculated formula: C42 H70 Cu2 Ge4 K4 N7.5 O12
• SMILES: [Cu]12([Ge]345[Cu]6([Ge]74[Ge]13[Ge]2567)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K+].[K+].N.N.N.N.N.N.N.N
• 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: 13.5093 ± 0.0006 Å
• b: 15.8892 ± 0.0007 Å
• c: 17.7605 ± 0.0008 Å
• α: 98.23 ± 0.004°
• β: 111.166 ± 0.004°
• γ: 107.105 ± 0.004°
• Cell volume: 3262.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No