Information card for entry 2312285
| 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 |
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The link is:
https://www.crystallography.net/2312285.html
