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Information card for entry 2238941
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| Coordinates | 2238941.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | caesium 2,3,6-trichlorophenylacetate monohydrate |
|---|---|
| Chemical name | Poly[μ-aqua-μ~5~-[2-(2,3,6-trichlorophenyl)acetato]-caesium] |
| Formula | C8 H6 Cl3 Cs O3 |
| Calculated formula | C8 H6 Cl3 Cs O3 |
| SMILES | [Cs+].Clc1c(c(Cl)ccc1Cl)CC(=O)[O-].O |
| Title of publication | Poly[μ-aqua-μ~5~-[2-(2,3,6-trichlorophenyl)acetato]-caesium] |
| Authors of publication | Smith, Graham |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | m628 |
| a | 17.0606 ± 0.0012 Å |
| b | 4.9834 ± 0.0003 Å |
| c | 13.9283 ± 0.001 Å |
| α | 90° |
| β | 98.127 ± 0.006° |
| γ | 90° |
| Cell volume | 1172.29 ± 0.14 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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