Information card for entry 7231119
Chemical name |
3-Nitro-1,2,4-triazole |
Formula |
C2 H2 N4 O2 |
Calculated formula |
C2 H2 N4 O2 |
Title of publication |
Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole |
Authors of publication |
Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping |
Journal of publication |
RSC Advances |
Year of publication |
2018 |
Journal volume |
8 |
Journal issue |
43 |
Pages of publication |
24627 |
a |
6.8413 ± 0.0003 Å |
b |
6.8413 ± 0.0003 Å |
c |
18.8196 ± 0.0012 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
880.82 ± 0.08 Å3 |
Cell temperature |
101.8 K |
Ambient diffraction temperature |
101.8 K |
Number of distinct elements |
4 |
Space group number |
92 |
Hermann-Mauguin space group symbol |
P 41 21 2 |
Hall space group symbol |
P 4abw 2nw |
Residual factor for all reflections |
0.041 |
Residual factor for significantly intense reflections |
0.0375 |
Weighted residual factors for significantly intense reflections |
0.086 |
Weighted residual factors for all reflections included in the refinement |
0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.098 |
Diffraction radiation wavelength |
0.7107 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/7231119.html