Information card for entry 4076092

Structure parameters

• Formula: C16 H48 O2 Si8
• Calculated formula: C16 H48 O2 Si8
• SMILES: C[Si]1(O[Si](C)(C)C)[Si](C)(C)[Si](C)(C)[Si](C)(O[Si](C)(C)C)[Si](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: 10.014 ± 0.002 Å
• b: 10.973 ± 0.002 Å
• c: 14.842 ± 0.003 Å
• α: 90°
• β: 97.02 ± 0.03°
• γ: 90°
• Cell volume: 1618.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No