Information card for entry 4327020

Structure parameters

• Formula: C121 H148 Al2 Li2 O8 Ti6
• Calculated formula: C121 H148 Al2 Li2 O8 Ti6
• Title of publication: Lithium Aluminates on a Molecular Titanium Oxide
• Authors of publication: Alberto Hernán-Gómez; Avelino Martín; Miguel Mena; Cristina Santamaría
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11856 - 11858
• a: 12.069 ± 0.006 Å
• b: 17.261 ± 0.006 Å
• c: 27.661 ± 0.009 Å
• α: 81.88 ± 0.05°
• β: 89.92 ± 0.04°
• γ: 80.81 ± 0.04°
• Cell volume: 5630 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2288
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No