Information card for entry 7131466
| Formula |
C6 H6 Br N O2 |
| Calculated formula |
C6 H6 Br N O2 |
| Title of publication |
Nicotinic acid bromide: a simple organic salt optical-electrical ferroelastic with high <i>T</i><sub>c</sub>. |
| Authors of publication |
Li, Jie; Zhang, Tie; Lun, Meng-Meng; Su, Chang-Yuan; Zhang, Zhi-Xu; Huang, Pei-Zhi; Zhang, Yi; Teri, Gele; Fu, Da-Wei |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2023 |
| Journal volume |
59 |
| Journal issue |
31 |
| Pages of publication |
4644 - 4647 |
| a |
7.4792 ± 0.0005 Å |
| b |
6.9912 ± 0.0007 Å |
| c |
7.5202 ± 0.0004 Å |
| α |
90° |
| β |
100.036 ± 0.006° |
| γ |
90° |
| Cell volume |
387.2 ± 0.05 Å3 |
| Cell temperature |
413 K |
| Ambient diffraction temperature |
413 K |
| Number of distinct elements |
5 |
| Space group number |
11 |
| Hermann-Mauguin space group symbol |
P 1 21/m 1 |
| Hall space group symbol |
-P 2yb |
| Residual factor for all reflections |
0.0538 |
| Residual factor for significantly intense reflections |
0.0375 |
| Weighted residual factors for significantly intense reflections |
0.0996 |
| Weighted residual factors for all reflections included in the refinement |
0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.993 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7131466.html
