Information card for entry 4000493

Structure parameters

• Common name: scandium fluorophosphate
• Formula: C6 H22 F2 N2 O20 P4 Sc4
• Calculated formula: C5.997 H22 F2 N1.997 O20 P4 Sc4
• Title of publication: Crystal structure of (C6H14N2)Sc4F2(PO4)4.4H2O
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 10.2826 ± 0.0016 Å
• b: 12.6977 ± 0.0019 Å
• c: 17.864 ± 0.003 Å
• α: 90°
• β: 102.761 ± 0.003°
• γ: 90°
• Cell volume: 2274.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No