Information card for entry 4322377

Structure parameters

• Chemical name: compound 3
• Formula: C22 H54 Al2 O2 Si2
• Calculated formula: C22 H54 Al2 O2 Si2
• SMILES: [O]1([Si](C)(C)C)[Al](CC(C)C)(CC(C)C)[O]([Al]1(CC(C)C)CC(C)C)[Si](C)(C)C
• Title of publication: An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds
• Authors of publication: Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5235 - 5240
• a: 17.09 ± 0.002 Å
• b: 10.26 ± 0.002 Å
• c: 17.521 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3072.2 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections: 0.1903
• Weighted residual factors for significantly intense reflections: 0.1388
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No