Information card for entry 7227951
| Formula |
C6 H16 N18 O6 |
| Calculated formula |
C6 H16 N18 O6 |
| Title of publication |
The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies |
| Authors of publication |
Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai |
| Journal of publication |
RSC Adv. |
| Year of publication |
2017 |
| Journal volume |
7 |
| Journal issue |
30 |
| Pages of publication |
18523 |
| a |
4.864 ± 0.004 Å |
| b |
25.342 ± 0.02 Å |
| c |
6.732 ± 0.005 Å |
| α |
90° |
| β |
100.365 ± 0.009° |
| γ |
90° |
| Cell volume |
816.3 ± 1.1 Å3 |
| Cell temperature |
153 ± 2 K |
| Ambient diffraction temperature |
153 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.13 |
| Residual factor for significantly intense reflections |
0.1042 |
| Weighted residual factors for significantly intense reflections |
0.2663 |
| Weighted residual factors for all reflections included in the refinement |
0.2781 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.998 |
| 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/7227951.html
