Information card for entry 7203674

Structure parameters

• Formula: C26 H62 Al3 F O9 S
• Calculated formula: C26 H62 Al3 F O9 S
• SMILES: [Al]12([O](C(C)C)[Al]([O]1C(C)C)(OC(C)C)OC(C)C)([O](C(C)C)[Al]([O]2C(C)C)(OC(C)C)OC(C)C)([O]=S(C)C)F
• Title of publication: Non-aqueous synthesis of high surface area aluminium fluoride-a mechanistic investigation
• Authors of publication: Stephan K. Ruediger; Udo Groß; Michael Feist; Hillary A. Prescott; S. Chandra Shekar; Sergey I. Troyanov; Erhard Kemnitz
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 588
• a: 11.923 ± 0.002 Å
• b: 12.551 ± 0.002 Å
• c: 25.711 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3847.5 ± 1.2 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 6
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No