Information card for entry 7058351
Formula |
C16 H16 N12 O6 |
Calculated formula |
C16 H16 N12 O6 |
Title of publication |
Polynitro-1,2,4-triazole-functionalized azo-furazans as high-performance and insensitive energetic materials |
Authors of publication |
Ma, Jinchao; Zhang, Guojie; Gu, Hao; Tang, Jie; Wang, Bohan; Yang, Hongwei; Cheng, Guangbin |
Journal of publication |
New Journal of Chemistry |
Year of publication |
2019 |
Journal volume |
43 |
Journal issue |
21 |
Pages of publication |
8370 |
a |
5.0217 ± 0.0011 Å |
b |
27.895 ± 0.006 Å |
c |
15.205 ± 0.003 Å |
α |
90° |
β |
97.057 ± 0.005° |
γ |
90° |
Cell volume |
2113.8 ± 0.8 Å3 |
Cell temperature |
173 K |
Ambient diffraction temperature |
173 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 |
0.0895 |
Residual factor for significantly intense reflections |
0.0487 |
Weighted residual factors for significantly intense reflections |
0.1008 |
Weighted residual factors for all reflections included in the refinement |
0.1192 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7058351.html