Information card for entry 7007354

Structure parameters

• Formula: C6 H30 O24 S6 Sc2
• Calculated formula: C6 H30 O24 S6 Sc2
• SMILES: [Sc]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].CS(=O)(=O)O[Sc](OS(=O)(=O)C)(OS(=O)(=O)C)(OS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C
• Title of publication: The hydration of the scandium(III) ion in aqueous solution and crystalline hydrates studied by XAFS spectroscopy, large-angle X-ray scattering and crystallography.
• Authors of publication: Lindqvist-Reis, Patric; Persson, Ingmar; Sandström, Magnus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3868 - 3878
• a: 14.019 ± 0.002 Å
• b: 14.019 ± 0.002 Å
• c: 25.38 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4319.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No