Information card for entry 4309215

Structure parameters

• Common name: [Al8(OH)14(H2O)18](SO4)5.16H2O
• Formula: Al8 H82 O68 S5
• Calculated formula: Al8 H74 O67.98 S5
• SMILES: [Al]1234([OH]5[Al]67([OH]1)([OH][Al]([OH]3)([OH2])([OH2])([OH2])[OH2])[OH]1[Al]3([OH][Al]51([OH]2)([OH][Al]([OH]4)([OH2])([OH2])([OH2])[OH2])[OH][Al]([OH]3)([OH2])([OH2])([OH2])[OH2])([OH]6)([OH][Al]([OH]7)([OH2])([OH2])([OH2])[OH2])[OH2])[OH2].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A New Aluminum Hydroxide Octamer, [Al8(OH)14(H2O)18](SO4)5.16H2O
• Authors of publication: William H. Casey; Marilyn M. Olmstead; Brian L. Phillips
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4888 - 4890
• a: 9.236 ± 0.003 Å
• b: 11.994 ± 0.004 Å
• c: 14.694 ± 0.005 Å
• α: 99.585 ± 0.006°
• β: 102.932 ± 0.006°
• γ: 110.311 ± 0.006°
• Cell volume: 1433.7 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No