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Information card for entry 2011081
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| Coordinates | 2011081.cif |
|---|---|
| Structure factors | 2011081.hkl |
| Original IUCr paper | HTML |
| 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 | 12.585 ± 0.001 Å |
| b | 12.585 ± 0.001 Å |
| c | 12.585 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1993.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.023 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for all reflections included in the refinement | 0.0443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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