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Information card for entry 2003561
Preview
| Coordinates | 2003561.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Tetra-aqua-magnesium bis(o-hydroxy-trans-cinnamate) |
|---|---|
| Formula | C18 H22 Mg O10 |
| Calculated formula | C18 H22 Mg O10 |
| SMILES | [Mg](OC(=O)/C=C/c1c(cccc1)O)(OC(=O)/C=C/c1c(cccc1)O)([OH2])([OH2])([OH2])[OH2] |
| Title of publication | Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate] |
| Authors of publication | Kariuki, B. M.; Valim, J. B.; Jones, W.; King, J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 6 |
| Pages of publication | 1051 - 1053 |
| a | 6.025 ± 0.003 Å |
| b | 5.385 ± 0.003 Å |
| c | 29.991 ± 0.014 Å |
| α | 90° |
| β | 94.46 ± 0.04° |
| γ | 90° |
| Cell volume | 970.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections | 0.1171 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Goodness-of-fit parameter for all reflections | 1.107 |
| Goodness-of-fit parameter for significantly intense reflections | 1.177 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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