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Information card for entry 1549467
Preview
| Coordinates | 1549467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sodium Acetate |
|---|---|
| Chemical name | Sodium Acetate |
| Formula | C2 H3 Na O2 |
| Calculated formula | C2 H3 Na O2 |
| Title of publication | New Polymorphs of the Phase-Change Material Sodium Acetate |
| Authors of publication | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss |
| Journal of publication | Crystals |
| Year of publication | 2018 |
| Journal volume | 8 |
| Pages of publication | 213 |
| a | 5.9482 ± 0.0007 Å |
| b | 10.0866 ± 0.001 Å |
| c | 5.8984 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 353.89 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.5854 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288642 (current) | 2024-01-03 | Changed data name '_iucr_instruction_details' to '_iucr_refine_instructions_details' in multiple entries. |
1549467.cif |
| 207993 | 2018-05-28 | cif/ Adding structures of 1549467 via cif-deposit CGI script. |
1549467.cif |
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Users of the data should acknowledge the original authors of the
structural data.