Information card for entry 2006099
| Common name |
tetrazole |
| Chemical name |
α-1H-1,2,3,4-tetrazole |
| Formula |
C H2 N4 |
| Calculated formula |
C H2 N4 |
| SMILES |
c1[nH]nnn1 |
| Title of publication |
α-1<i>H</i>-1,2,3,4-Tetrazole |
| Authors of publication |
Goddard, Richard; Heinemann, Oliver; Krüger, Carl |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1997 |
| Journal volume |
53 |
| Journal issue |
5 |
| Pages of publication |
590 - 592 |
| a |
3.725 ± 0.001 Å |
| b |
4.773 ± 0.001 Å |
| c |
4.936 ± 0.001 Å |
| α |
107.03 ± 0.02° |
| β |
107.23 ± 0.02° |
| γ |
101.57 ± 0.02° |
| Cell volume |
76.08 ± 0.04 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
3 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0436 |
| Residual factor for significantly intense reflections |
0.042 |
| Weighted residual factors for all reflections |
0.101 |
| Weighted residual factors for significantly intense reflections |
0.099 |
| Goodness-of-fit parameter for all reflections |
1.111 |
| Goodness-of-fit parameter for significantly intense reflections |
1.12 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2006099.html
