Information card for entry 4067736

Structure parameters

• Formula: C42 H126 Si22
• Calculated formula: C42 H126 Si22
• SMILES: C[Si](C)([Si](C)(C)[Si](C)(C)[Si]1([Si](C)(C)[Si](C)(C)[Si]([Si](C)(C)[Si]1(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)[Si]1([Si](C)(C)C)[Si](C)(C)[Si](C)(C)[Si]([Si](C)(C)[Si]1(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Cyclic and Bicyclic Methylpolysilanes and Some Oligosilanylene-Bridged Derivatives
• Authors of publication: Wallner, Andreas; Hlina, Johann; Konopa, Tina; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Flörke, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2660
• a: 9.4839 ± 0.0019 Å
• b: 24.749 ± 0.005 Å
• c: 16.97 ± 0.003 Å
• α: 90°
• β: 93.36 ± 0.03°
• γ: 90°
• Cell volume: 3976.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1998
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No