Information card for entry 4073947

Structure parameters

• Formula: C26 H78 Si13
• Calculated formula: C26 H78 Si13
• SMILES: [Si@]1([Si]([Si]([Si]([Si@@]1([Si](C)(C)C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)C.[Si@@]1([Si]([Si]([Si]([Si@]1([Si](C)(C)C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)C
• Title of publication: Rearrangement of Cyclic Silanes with Aluminum Trichloride
• Authors of publication: Wagner, Harald; Wallner, Andreas; Fischer, Jelena; Flock, Michaela; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6704
• a: 9.91 ± 0.002 Å
• b: 15.866 ± 0.003 Å
• c: 17.13 ± 0.003 Å
• α: 76.2 ± 0.03°
• β: 78.64 ± 0.03°
• γ: 72.26 ± 0.03°
• Cell volume: 2468.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1845
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No