Information card for entry 4071874

Structure parameters

• Formula: C42 H126 Si20
• Calculated formula: C42 H126 Si20
• SMILES: [Si]([Si]([Si]([Si]([Si]([Si]([Si]([Si]([Si]([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)(C)C
• Title of publication: Structure, Conformation, and UV Absorption Behavior of Partially Trimethylsilylated Oligosilane Chains
• Authors of publication: Wallner, Andreas; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Rohm, Henning W.; Köckerling, Martin; Krempner, Clemens
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5221
• a: 9.832 ± 0.002 Å
• b: 14.033 ± 0.003 Å
• c: 29.483 ± 0.006 Å
• α: 89.14 ± 0.03°
• β: 83.87 ± 0.03°
• γ: 75.44 ± 0.03°
• Cell volume: 3914.4 ± 1.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No