Information card for entry 2203173

Structure parameters

• Common name: Scandium Formate
• Formula: C3 H3 O6 Sc
• Calculated formula: C3 H3 O6 Sc
• SMILES: [Sc]12[O]=CO[Sc]34([O]=CO1)([O]=CO2)[O]=CO[Sc]([O]=CO3)[O]=CO4
• Title of publication: The rhombohedral polymorph of scandium formate
• Authors of publication: Ilyukhin, Andrey B.; Petrosyants, Svetlana P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m151 - m152
• a: 10.7252 ± 0.0009 Å
• b: 10.7252 ± 0.0009 Å
• c: 8.9854 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 895.12 ± 0.13 ų
• Cell temperature: 293 ± 0.3 K
• Ambient diffraction temperature: 293 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes