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Information card for entry 3500037
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| Coordinates | 3500037.cif |
|---|---|
| Structure factors | 3500037.hkl |
| Chemical name | catena-((μ~6~-Hydrogen (+)-tartrato)-sodium) |
|---|---|
| Formula | C4 H5 Na O6 |
| Calculated formula | C4 H5 Na O6 |
| SMILES | [O-]C(=O)[C@H]([C@@H](C(=O)O)O)O.[Na+] |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 5.2467 ± 0.0007 Å |
| b | 7.783 ± 0.002 Å |
| c | 7.582 ± 0.006 Å |
| α | 90° |
| β | 101.39 ± 0.02° |
| γ | 90° |
| Cell volume | 303.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283804 (current) | 2023-05-16 | cif/3 Fixing Z values and formulae for a couple of Na salts |
3500037.cif 3500037.hkl |
| 183931 | 2016-06-25 | cif/ hkl/ Adding structures of 3500037 via cif-deposit CGI script. |
3500037.cif 3500037.hkl |
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Users of the data should acknowledge the original authors of the
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