Information card for entry 4133683

Structure parameters

• Formula: C21 H54 Si6
• Calculated formula: C21 H54 Si6
• SMILES: [Si]1([SiH]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CC1(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.
• Authors of publication: Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 34
• Pages of publication: 13536 - 13546
• a: 12.4962 ± 0.001 Å
• b: 14.8445 ± 0.001 Å
• c: 17.5284 ± 0.0014 Å
• α: 90°
• β: 108.895 ± 0.003°
• γ: 90°
• Cell volume: 3076.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No