Information card for entry 7058022
| Chemical name |
3,3',5,5'-Tetranitro-4,4'-bipyrazole Hydrate |
| Formula |
C6 H4 N8 O9 |
| Calculated formula |
C6 H4 N8 O9 |
| Title of publication |
Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials |
| Authors of publication |
Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2018 |
| a |
11.1017 ± 0.0009 Å |
| b |
13.9227 ± 0.001 Å |
| c |
8.2166 ± 0.0008 Å |
| α |
90° |
| β |
110.654 ± 0.01° |
| γ |
90° |
| Cell volume |
1188.38 ± 0.19 Å3 |
| Cell temperature |
213 ± 2 K |
| Ambient diffraction temperature |
213 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0244 |
| Residual factor for significantly intense reflections |
0.0209 |
| Weighted residual factors for significantly intense reflections |
0.0493 |
| Weighted residual factors for all reflections included in the refinement |
0.0501 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.936 |
| 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/7058022.html
