Information card for entry 2209032

Structure parameters

• Common name: scandium hydrate hydroxide bromide
• Chemical name: Pentaaquahydroxoscandium(III) dibromide
• Formula: Br4 H22 O12 Sc2
• Calculated formula: Br4 H22 O12 Sc2
• SMILES: [OH2][Sc]1([OH2])([OH2])([OH][Sc]([OH]1)([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])[OH2].[Br-].[Br-].[Br-].[Br-]
• Title of publication: Pentaaquahydroxoscandium(III) dibromide, [Sc(H~2~O)~5~(OH)]Br~2~
• Authors of publication: Kolitsch, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: i122 - i123
• a: 7.412 ± 0.001 Å
• b: 8.368 ± 0.002 Å
• c: 8.627 ± 0.002 Å
• α: 95.12 ± 0.03°
• β: 114.56 ± 0.03°
• γ: 101.33 ± 0.03°
• Cell volume: 468.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes