Information card for entry 2004757

Structure parameters

• Chemical name: Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate
• Formula: Al2 H27 Na9 O21
• Calculated formula: Al2 H27 Na9 O21
• SMILES: [Al](O)(O)(O)(O)(O)O.[Al](O)(O)(O)(O)(O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[OH-].[OH-].[OH-].O.O.O.O.O.O
• Title of publication: Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate
• Authors of publication: Zabel, V.; Schneider, M.; Weinberger, M.; Gessner, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 747 - 749
• a: 8.694 ± 0.001 Å
• b: 11.344 ± 0.002 Å
• c: 11.636 ± 0.003 Å
• α: 74.29 ± 0.02°
• β: 87.43 ± 0.02°
• γ: 70.66 ± 0.02°
• Cell volume: 1041.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.0728
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No