Information card for entry 2208765
| Common name |
Tetraformaltrisazine |
| Chemical name |
1,2,3,4,5,6,7,8-Octahydro-1,2,4,5-tetrazino[1,2-a][1,2,4,5]tetrazine |
| Formula |
C4 H12 N6 |
| Calculated formula |
C4 H12 N6 |
| SMILES |
N1NCN2N(C1)CNNC2 |
| Title of publication |
An independent refinement of H-atom coordinates from laboratory X-ray powder data in tetraformaltrisazine |
| Authors of publication |
Dmitry V. Albov; Adnan Jassem; Anatoly I. Kuznetsov |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2006 |
| Journal volume |
62 |
| Journal issue |
4 |
| Pages of publication |
o1449 - o1451 |
| a |
6.3243 ± 0.0004 Å |
| b |
4.8633 ± 0.0003 Å |
| c |
11.3322 ± 0.0009 Å |
| α |
90° |
| β |
92.042 ± 0.014° |
| γ |
90° |
| Cell volume |
348.32 ± 0.04 Å3 |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Goodness-of-fit parameter for all reflections |
2.87 |
| Diffraction radiation wavelength |
1.54059 Å |
| Diffraction radiation type |
CuKα~1~ |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2208765.html
