Information card for entry 2214425

Structure parameters

• Common name: Caesium hexaaquacopper sulfate
• Chemical name: Dicaesium hexaaquacopper(II) bis[sulfate(VI)]
• Formula: Cs2 Cu H12 O14 S2
• Calculated formula: Cs2 Cu H12 O14 S2
• SMILES: S(=O)(=O)([O-])[O-].[Cs+].[Cs+].[Cu]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Redetermination of the Tutton's salt Cs~2~[Cu(H~2~O)~6~](SO~4~)~2~
• Authors of publication: Paolo Ballirano; Girolamo Belardi; Ferdinando Bosi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: i164 - i165
• a: 9.4383 ± 0.0006 Å
• b: 12.7605 ± 0.0012 Å
• c: 6.313 ± 0.0006 Å
• α: 90°
• β: 106.199 ± 0.007°
• γ: 90°
• Cell volume: 730.14 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes