Information card for entry 2243709

Structure parameters

• Chemical name: Hexaquaaluminium sulfate chloride monohydrate
• Formula: Al Cl H14 O11 S
• Calculated formula: Al Cl H14 O11 S
• SMILES: [Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].[Cl-].O
• Title of publication: Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O
• Authors of publication: Svensson, Fredric G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 58 - 61
• a: 6.164 ± 0.0014 Å
• b: 22.933 ± 0.005 Å
• c: 7.2876 ± 0.0014 Å
• α: 90°
• β: 97.328 ± 0.002°
• γ: 90°
• Cell volume: 1021.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No