Information card for entry 4104616

Structure parameters

• Chemical name: (K-crypt)2[Ge9-(CH2CH(CH2)2)2] 3en
• Formula: C50 H86 Ge9 K2 N10 O12
• Calculated formula: C50 H86 Ge9 K2 N10 O12
• Title of publication: Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions
• Authors of publication: Michael W. Hull; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9026 - 9037
• a: 14.9391 ± 0.0003 Å
• b: 25.7127 ± 0.0005 Å
• c: 19.0906 ± 0.0004 Å
• α: 90°
• β: 93.89 ± 0.001°
• γ: 90°
• Cell volume: 7316.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No