Information card for entry 7063853
| Formula |
C14 H24 N24 O15 |
| Calculated formula |
C14 H24 N24 O15 |
| 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 |
11.917 ± 0.004 Å |
| b |
16.287 ± 0.006 Å |
| c |
30.181 ± 0.01 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
5858 ± 4 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273.15 K |
| Number of distinct elements |
4 |
| Space group number |
61 |
| Hermann-Mauguin space group symbol |
P b c a |
| Hall space group symbol |
-P 2ac 2ab |
| Residual factor for all reflections |
0.0722 |
| Residual factor for significantly intense reflections |
0.0603 |
| Weighted residual factors for significantly intense reflections |
0.1592 |
| Weighted residual factors for all reflections included in the refinement |
0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.093 |
| 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/7063853.html
