Information card for entry 4122458

Structure parameters

• Common name: EthyltrisupersilylGe9
• Formula: C29 H86 Ge9 Si12
• Calculated formula: C29 H86 Ge9 Si12
• SMILES: [Ge]123([Ge]4[Ge]56([Ge]74([Ge]4([Ge]17)([Ge]3[Ge]64[Ge]25)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CC)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters.
• Authors of publication: Li, Feng; Sevov, Slavi C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 12056 - 12063
• a: 23.163 ± 0.005 Å
• b: 23.872 ± 0.005 Å
• c: 23.166 ± 0.005 Å
• α: 90°
• β: 99.96 ± 0.03°
• γ: 90°
• Cell volume: 12617 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No