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Information card for entry 8106922
Preview
| Coordinates | 8106922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281834 (current) | 2023-03-13 | cif/ Adding structures of 8106922 via cif-deposit CGI script. |
8106922.cif |
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Users of the data should acknowledge the original authors of the
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