Information card for entry 7063854
| Formula |
C7 H12 N10 O9 |
| Calculated formula |
C7 H12 N10 O9 |
| Title of publication |
A novel pentazolate with a delocalized cation and its cocrystal |
| Authors of publication |
Zou, Jia; Zhang, Li; Chen, Zhengguo; Li, Haoran; Zhou, Qianzai; Wang, Xinyu; Huang, Ming; Yu, SiJia; Yang, Haijun |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2025 |
| Journal volume |
49 |
| Journal issue |
25 |
| Pages of publication |
10922 - 10927 |
| a |
13.0759 ± 0.0009 Å |
| b |
8.8455 ± 0.0006 Å |
| c |
13.5603 ± 0.0009 Å |
| α |
90° |
| β |
107.872 ± 0.003° |
| γ |
90° |
| Cell volume |
1492.74 ± 0.18 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273.15 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0528 |
| Residual factor for significantly intense reflections |
0.0459 |
| Weighted residual factors for significantly intense reflections |
0.1284 |
| Weighted residual factors for all reflections included in the refinement |
0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7063854.html
