Information card for entry 4116558

Structure parameters

• Chemical name: Cs4(K-crypt)2[(Ge9)-(Ge9)](en)6
• Formula: C24 H60 Cs2 Ge9 K N8 O6
• Calculated formula: C24 H60 Cs2 Ge9 K N8 O6
• SMILES: [Ge]123[Ge]456[Ge]781[Ge]192[Ge]234[Ge]39[Ge]81[Ge]57[Ge]623.[Cs+].[Cs+].[K]1234567[O]8CC[O]5CC[N]57CC[O]4CC[O]1CC[N]6(CC[O]3CC[O]2CC5)CC8.NCCN.NCCN.NCCN
• Title of publication: Oxidative Coupling of Deltahedral [Ge9]4- Zintl Ions
• Authors of publication: Li Xu; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 9245 - 9246
• a: 11.0058 ± 0.0008 Å
• b: 12.615 ± 0.001 Å
• c: 18.518 ± 0.002 Å
• α: 101.804 ± 0.009°
• β: 100.032 ± 0.007°
• γ: 98.682 ± 0.008°
• Cell volume: 2431.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0828
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No