Information card for entry 2235809

Structure parameters

• Common name: aluminium methanesulfonate hexahydrate
• Chemical name: Hexaaquaaluminium(III) tris(methanesulfonate)
• Formula: C3 H21 Al O15 S3
• Calculated formula: C3 H21 Al O15 S3
• SMILES: S(=O)(=O)([O-])C.S(=O)(=O)([O-])C.S(=O)(=O)([O-])C.[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquaaluminium(III) tris(methanesulfonate)
• Authors of publication: Trella, Thomas; Frank, Walter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1136 - m1137
• a: 16.4677 ± 0.0009 Å
• b: 6.4239 ± 0.0004 Å
• c: 17.4295 ± 0.0008 Å
• α: 90°
• β: 117.035 ± 0.005°
• γ: 90°
• Cell volume: 1642.34 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes