Information card for entry 7240221
| Formula |
C5 H11 N9 O4 |
| Calculated formula |
C5 H11 N9 O4 |
| SMILES |
[O-]n1nnnc1c1n(O)nnn1.O[NH+]=C(C)C.O |
| Title of publication |
Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents |
| Authors of publication |
Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong |
| Journal of publication |
RSC Advances |
| Year of publication |
2020 |
| Journal volume |
10 |
| Journal issue |
20 |
| Pages of publication |
11939 - 11944 |
| a |
6.811 ± 0.0005 Å |
| b |
7.3961 ± 0.0005 Å |
| c |
11.6431 ± 0.0009 Å |
| α |
73.627 ± 0.002° |
| β |
82.716 ± 0.002° |
| γ |
83.323 ± 0.002° |
| Cell volume |
556.19 ± 0.07 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0551 |
| Residual factor for significantly intense reflections |
0.0422 |
| Weighted residual factors for significantly intense reflections |
0.1001 |
| Weighted residual factors for all reflections included in the refinement |
0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7240221.html
