Information card for entry 2011080

Structure parameters

• Common name: Rubidium chromium sulfate dodecahydrate
• Chemical name: Chromium alpha-Alums
• Formula: Cr H24 O20 Rb S2
• Calculated formula: Cr H24 O20 Rb S2
• SMILES: [Cr]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].[Rb+].O.O.O.O=S(=O)([O-])[O-].O.O.O
• Title of publication: The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K
• Authors of publication: Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 731 - 734
• a: 12.241 ± 0.002 Å
• b: 12.241 ± 0.002 Å
• c: 12.241 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.2 ± 0.5 ų
• Cell temperature: 12 ± 2 K
• Ambient diffraction temperature: 12 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes