Information card for entry 1557021

Structure parameters

• Formula: C10 H16 Al Na O10
• Calculated formula: C10 H16 Al Na O10
• SMILES: [Al]12(OC(=O)C(C(=O)O1)C)([OH]C)(OC(=O)C(C(=O)O2)C)[OH]C.[Na+]
• Title of publication: Equilibrium and Structural Studies of Silicon(IV) and Aluminium(III) in Aqueous Solution. 34. A Crystal Structure Determination of the Al(methylmalonate)2(CH3OH)2- Complex with Na+ as Counter-Ion
• Authors of publication: Karlsson, Magnus; Bostrom, Dan; Clausen, Maria; Ohman, Lars-Olof
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 1116 - 1121
• a: 12.046 ± 0.002 Å
• b: 12.046 ± 0.002 Å
• c: 28.705 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3607.2 ± 1.1 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No