Information card for entry 4322376

Structure parameters

• Chemical name: compound 2
• Formula: C26 H44 Al2 F2 O14
• Calculated formula: C26 H44 Al2 F2 O14
• SMILES: [Al]12(F)(C)[O]=C(C([O]1[Al]1(F)(C)[O]=C(C([O]21)(CC(=O)OCC)CC(=O)OCC)OCC)(CC(=O)OCC)CC(=O)OCC)OCC
• 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: 12.173 ± 0.002 Å
• b: 13.319 ± 0.003 Å
• c: 20.512 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3325.7 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.1807
• Weighted residual factors for significantly intense reflections: 0.1623
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No