Information card for entry 2011082

Structure parameters

• Common name: Caesium chromium bis(selenate) dodecahydrate
• Chemical name: Chromium alpha-Alums
• Formula: Cr Cs H24 O20 Se2
• Calculated formula: Cr Cs H24 O20 Se2
• SMILES: [Cr]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cs+].O=[Se](=O)([O-])[O-].O.O.O.O=[Se](=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: 12.522 ± 0.003 Å
• b: 12.522 ± 0.003 Å
• c: 12.522 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.5 ± 0.8 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: 0.0203
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes