Information card for entry 4072402

Structure parameters

• Formula: C18 H54 Si10
• Calculated formula: C18 H52.5 Si10
• SMILES: [Si]12([Si]([Si]([Si]([Si]1([Si]([Si]([Si]2(C)C)(C)C)(C)C)[Si](C)(C)C)(C)C)(C)C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis of Cyclic and Bicyclic Polysilanes of Variable Ring Sizes
• Authors of publication: Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6472
• a: 18.509 ± 0.004 Å
• b: 21.689 ± 0.004 Å
• c: 19.166 ± 0.004 Å
• α: 90°
• β: 114.73 ± 0.03°
• γ: 90°
• Cell volume: 6988 ± 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: 0.1257
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No