Information card for entry 1556968

Structure parameters

• Formula: C8 H32 Al2 Cl2 O20
• Calculated formula: C8 Al2 Cl2 O20
• SMILES: [Cl-].[OH2][Al]([OH2])([OH2])([OH2])([OH2])[OH2].[Al]12(OC(=O)C(C(=O)O1)C)(OC(=O)C(C(=O)O2)C)([OH2])[OH2].O.O.[Cl-].O.O
• Title of publication: Equilibrium and Structural Studies of Silicon(IV) and Aluminium(III) in Aqueous Solution. 33. The Al(methylmalonate)2(H2O)2- Complex Crystallised as a Double Salt with Al(H2O)6(3+) and Cl-
• Authors of publication: Karlsson, Magnus; Bostrom, Dan; Ohman, Lars-Olof
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 995 - 999
• a: 6.956 ± 0.001 Å
• b: 8.413 ± 0.002 Å
• c: 10.737 ± 0.002 Å
• α: 89.78 ± 0.02°
• β: 106.9 ± 0.02°
• γ: 95.25 ± 0.02°
• Cell volume: 598.5 ± 0.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No