Information card for entry 4322375

Structure parameters

• Formula: C76 H114 Al4 F2 O6
• Calculated formula: C76 H114 Al4 F2 O6
• SMILES: C[Al]1(Oc2c(C(C)C)cccc2C(C)C)[O]([Al]2(C)([O]1c1c(cccc1C(C)C)C(C)C)[F][Al]1(C)([F]2)[O]([Al](C)(Oc2c(cccc2C(C)C)C(C)C)[O]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(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: 10.05 ± 0.002 Å
• b: 23.111 ± 0.005 Å
• c: 16.234 ± 0.003 Å
• α: 90°
• β: 97.13 ± 0.03°
• γ: 90°
• Cell volume: 3741.4 ± 1.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0895
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No