Information card for entry 2236568
| Chemical name |
4,4'-Bipyridine–3,3'-disulfanediylbis(1<i>H</i>-1,2,4-triazole-5-amine) (1/1) |
| Formula |
C14 H14 N10 S2 |
| Calculated formula |
C14 H14 N10 S2 |
| SMILES |
n1[nH]c(nc1SSc1n[nH]c(n1)N)N.n1ccc(cc1)c1ccncc1 |
| Title of publication |
4,4'-Bipyridine–3,3'-disulfanediylbis(1<i>H</i>-1,2,4-triazole-5-amine) (1/1) |
| Authors of publication |
Yang, Wei; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
11 |
| Pages of publication |
o3194 |
| a |
9.324 ± 0.001 Å |
| b |
9.454 ± 0.0011 Å |
| c |
11.384 ± 0.0013 Å |
| α |
109.56 ± 0.002° |
| β |
104.089 ± 0.001° |
| γ |
105.627 ± 0.001° |
| Cell volume |
846.86 ± 0.17 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0656 |
| Residual factor for significantly intense reflections |
0.0427 |
| Weighted residual factors for significantly intense reflections |
0.0916 |
| Weighted residual factors for all reflections included in the refinement |
0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2236568.html
