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Information card for entry 1571471
Preview
| Coordinates | 1571471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 Na2 O2 |
|---|---|
| Calculated formula | C3 Na2 O2 |
| Title of publication | Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion. |
| Authors of publication | Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe |
| Journal of publication | Angewandte Chemie (International ed. in English) |
| Year of publication | 2024 |
| Pages of publication | e202402978 |
| a | 8.313 ± 0.0004 Å |
| b | 7.2925 ± 0.0004 Å |
| c | 6.4432 ± 0.0003 Å |
| α | 90° |
| β | 102.186 ± 0.002° |
| γ | 90° |
| Cell volume | 381.8 ± 0.03 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor R(I) for significantly intense reflections | 0.0516 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.47674 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291307 (current) | 2024-04-21 | cif/ Updating files of 1571471 Original log message: Removing H |
1571471.cif |
| 291306 | 2024-04-21 | cif/ Adding structures of 1571471 via cif-deposit CGI script. |
1571471.cif |
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