Information card for entry 7205363
| Formula |
C3 H4 Br Cd N3 S |
| Calculated formula |
C3 H4 Br Cd N3 S |
| Title of publication |
Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand |
| Authors of publication |
Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
5 |
| Pages of publication |
1697 |
| a |
11.5428 ± 0.0009 Å |
| b |
6.9491 ± 0.0005 Å |
| c |
10.38 ± 0.0008 Å |
| α |
90° |
| β |
116.321 ± 0.001° |
| γ |
90° |
| Cell volume |
746.28 ± 0.1 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0266 |
| Residual factor for significantly intense reflections |
0.0231 |
| Weighted residual factors for significantly intense reflections |
0.0595 |
| Weighted residual factors for all reflections included in the refinement |
0.061 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.012 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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