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Information card for entry 3500064
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| Coordinates | 3500064.cif |
|---|
| Formula | C2 Na2 O4 |
|---|---|
| Calculated formula | C2 Na2 O4 |
| SMILES | C(=O)([O-])C(=O)[O-].[Na+].[Na+] |
| Title of publication | Rietveld refinement of the structure of Na2C2O4 |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2017 |
| a | 3.48379 ± 0.00007 Å |
| b | 5.2591 ± 0.00008 Å |
| c | 10.42762 ± 0.00017 Å |
| α | 90° |
| β | 93.0959 ± 0.0009° |
| γ | 90° |
| Cell volume | 190.772 ± 0.006 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor R(I) for significantly intense reflections | 3.6282 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283804 (current) | 2023-05-16 | cif/3 Fixing Z values and formulae for a couple of Na salts |
3500064.cif |
| 189752 | 2017-01-03 | cif/ Adding structures of 3500064 via cif-deposit CGI script. |
3500064.cif |
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Users of the data should acknowledge the original authors of the
structural data.