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Information card for entry 2008181
Preview
| Coordinates | 2008181.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Potassium 2,4-dichloro-6-nitrophenolate |
|---|---|
| Chemical name | potassium 2,4-dichloro-6-nitrophenolate |
| Formula | C6 H2 Cl2 K N O3 |
| Calculated formula | C6 H2 Cl2 K N O3 |
| SMILES | [K+].Clc1cc(cc(N(=O)=O)c1[O-])Cl |
| Title of publication | Potassium 2,4-dichloro-6-nitrophenolate |
| Authors of publication | Vasiliev, Alexander D.; Solovyov, Leonid A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | IUC9900004 |
| a | 14.84 ± 0.001 Å |
| b | 7.0447 ± 0.0007 Å |
| c | 4.2585 ± 0.0004 Å |
| α | 81.292 ± 0.008° |
| β | 84.988 ± 0.008° |
| γ | 84.837 ± 0.008° |
| Cell volume | 437.05 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 1.54051 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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