Information card for entry 8106922
| Formula |
C4 H10 Ba N8 O6 |
| Calculated formula |
C4 H10 Ba N8 O6 |
| Title of publication |
Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2 N:O)barium(II), C4H10N8O6Ba |
| Authors of publication |
Zhu, Jiaping; Jin, Shaohua; Wan, Li; Li, Lijie; Chen, Shusen; Shu, Qinghai |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2016 |
| Journal volume |
231 |
| Journal issue |
2 |
| Pages of publication |
503 - 504 |
| a |
7.6249 ± 0.0018 Å |
| b |
7.846 ± 0.0016 Å |
| c |
11.723 ± 0.003 Å |
| α |
70.52 ± 0.008° |
| β |
85.079 ± 0.01° |
| γ |
64.007 ± 0.007° |
| Cell volume |
592.8 ± 0.2 Å3 |
| Cell temperature |
153 ± 2 K |
| Ambient diffraction temperature |
153 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.037 |
| Residual factor for significantly intense reflections |
0.0333 |
| Weighted residual factors for significantly intense reflections |
0.0658 |
| Weighted residual factors for all reflections included in the refinement |
0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.09 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/8106922.html
