Information card for entry 7226440
| Chemical name |
3,6-dinitropyrazolo[4,3-c]-pyrazole |
| Formula |
C4 H6 N6 O6 |
| Calculated formula |
C4 H6 N6 O6 |
| Title of publication |
Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole |
| Authors of publication |
Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie |
| Journal of publication |
RSC Adv. |
| Year of publication |
2016 |
| a |
5.0574 ± 0.0014 Å |
| b |
9.395 ± 0.003 Å |
| c |
9.872 ± 0.003 Å |
| α |
100.11 ± 0.004° |
| β |
97.281 ± 0.004° |
| γ |
100.102 ± 0.004° |
| Cell volume |
448.6 ± 0.2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0407 |
| Residual factor for significantly intense reflections |
0.038 |
| Weighted residual factors for significantly intense reflections |
0.0974 |
| Weighted residual factors for all reflections included in the refinement |
0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.051 |
| 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/7226440.html
