Information card for entry 4076089

Structure parameters

• Formula: C22 H66 N2 Si10
• Calculated formula: C22 H66 N2 Si10
• SMILES: C[Si]1(C)[Si](N([Si](C)(C)C)[Si](C)(C)C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(N([Si](C)(C)C)[Si](C)(C)C)[Si]1(C)C
• Title of publication: Synthesis, Structures, and Unusual Photoluminescence of O- and N-Functional Cyclohexasilanes
• Authors of publication: Stueger, Harald; Fuerpass, Gottfried; Renger, Karin; Baumgartner, Judith
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6374
• a: 12.356 ± 0.003 Å
• b: 8.487 ± 0.0017 Å
• c: 18.52 ± 0.004 Å
• α: 90°
• β: 91.9 ± 0.03°
• γ: 90°
• Cell volume: 1941 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No