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Information card for entry 2312285
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| Coordinates | 2312285.cif |
|---|---|
| Structure factors | 2312285.hkl |
| Original paper (by DOI) | HTML |
| Common name | Deuterated sodium chloride tridecahydrate |
|---|---|
| Chemical name | Deuterated sodium chloride tridecahydrate |
| Formula | Cl D26 Na O13 |
| Calculated formula | Cl D26 Na O13 |
| Title of publication | The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI. |
| Authors of publication | Yamashita, Keishiro; Nakayama, Kazuya; Komatsu, Kazuki; Ohhara, Takashi; Munakata, Koji; Hattori, Takanori; Sano-Furukawa, Asami; Kagi, Hiroyuki |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 5 |
| a | 11.3436 ± 0.0001 Å |
| b | 11.8254 ± 0.001 Å |
| c | 10.8625 ± 0.0002 Å |
| α | 90° |
| β | 119.345 ± 0.0004° |
| γ | 90° |
| Cell volume | 1270.15 ± 0.11 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1823 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.779 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286336 (current) | 2023-09-14 | cif/ hkl/ Adding structures of 2312284, 2312285 via cif-deposit CGI script. |
2312285.cif 2312285.hkl |
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