Information card for entry 4072401

Structure parameters

• Formula: C24 H72 Si12
• Calculated formula: C24 H72 Si12
• SMILES: [Si]1([Si]([Si]([Si]([Si]([Si]([Si]([Si]1(C)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
• 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: 22.842 ± 0.005 Å
• b: 16.013 ± 0.003 Å
• c: 26.748 ± 0.005 Å
• α: 90°
• β: 109.36 ± 0.03°
• γ: 90°
• Cell volume: 9230 ± 4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.1487
• Weighted residual factors for significantly intense reflections: 0.285
• Weighted residual factors for all reflections included in the refinement: 0.3076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No