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Information card for entry 2243557
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| Coordinates | 2243557.cif |
|---|---|
| Structure factors | 2243557.hkl |
| Original IUCr paper | HTML |
| Common name | Sodium propionate |
|---|---|
| Chemical name | Poly[(μ~5~-propanoato)sodium(I)] |
| Formula | C3 H5 Na O2 |
| Calculated formula | C3 H5 Na O2 |
| Title of publication | Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^ |
| Authors of publication | Fábry, Jan; Samolová, Erika |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| Pages of publication | 1508 - 1513 |
| a | 7.1048 ± 0.0004 Å |
| b | 5.3003 ± 0.0003 Å |
| c | 11.9035 ± 0.0007 Å |
| α | 90° |
| β | 111.225 ± 0.005° |
| γ | 90° |
| Cell volume | 417.85 ± 0.04 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| Goodness-of-fit parameter for significantly intense reflections | 4.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.6 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255741 (current) | 2020-08-29 | cif/ hkl/ Adding structures of 2243557, 2243558, 2243559, 2243560 via cif-deposit CGI script. |
2243557.cif 2243557.hkl |
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Users of the data should acknowledge the original authors of the
structural data.