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Information card for entry 2214460
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| Coordinates | 2214460.cif |
|---|---|
| Structure factors | 2214460.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[aqua-μ~6~-malato-potassium(I)] |
|---|---|
| Formula | C4 H7 K O6 |
| Calculated formula | C4 H7 K O6 |
| SMILES | [K+].O=C([O-])CC(O)C(=O)O.O |
| Title of publication | A second <i>C</i>-centred monoclinic modification of racemic potassium hydrogen malate monohydrate |
| Authors of publication | Ou, Guang-Chuan; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | m2004 - m2004 |
| a | 10.534 ± 0.001 Å |
| b | 10.494 ± 0.001 Å |
| c | 7.564 ± 0.0008 Å |
| α | 90° |
| β | 120.801 ± 0.001° |
| γ | 90° |
| Cell volume | 718.21 ± 0.12 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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