Information card for entry 4030747

Structure parameters

• Formula: C3 H18 F9 O18 S3 Sc
• Calculated formula: C3 F9 O18 S3 Sc
• SMILES: C(S(=O)(=O)[O-])(F)(F)F.[Sc]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(S(=O)(=O)[O-])(F)(F)F.C(F)(S(=O)(=O)[O-])(F)F
• Title of publication: Crystal structure of scandium(III) triflate enneahydrated
• Authors of publication: Bisi Castellani, C.; Carugo, O.; Giusti, M.; Sardone, N.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1995
• Journal volume: 32
• Pages of publication: 1089 - 1099
• a: 12.979 ± 0.001 Å
• b: 12.979 ± 0.001 Å
• c: 7.755 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1131.3 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No