Information card for entry 2217268
Chemical name |
Bis(4H-1,2,4-triazol-3-yl)disulfane |
Formula |
C4 H4 N6 S2 |
Calculated formula |
C4 H4 N6 S2 |
SMILES |
c1(nc[nH]n1)SSc1n[nH]cn1 |
Title of publication |
Bis(4<i>H</i>-1,2,4-triazol-3-yl)disulfane |
Authors of publication |
Liu, Dongsheng; Xu, Yaping; Li, Xinfa; Ying, Shaoming; Chen, Wentong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
1 |
Pages of publication |
o247 - o247 |
a |
14.052 ± 0.003 Å |
b |
6.4044 ± 0.0013 Å |
c |
9.928 ± 0.002 Å |
α |
90° |
β |
122.18 ± 0.03° |
γ |
90° |
Cell volume |
756.2 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0324 |
Residual factor for significantly intense reflections |
0.0288 |
Weighted residual factors for significantly intense reflections |
0.0789 |
Weighted residual factors for all reflections included in the refinement |
0.0805 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.088 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2217268.html