Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037848
Preview
| Coordinates | 7037848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H8 N10 O2 |
|---|---|
| Calculated formula | C4 H8 N10 O2 |
| SMILES | c1([O-])nncn1N=Nn1c(=O)[nH]nc1.N[NH3+] |
| Title of publication | Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. |
| Authors of publication | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 8 |
| Pages of publication | 3590 - 3598 |
| a | 7.7212 ± 0.0005 Å |
| b | 8.2866 ± 0.0005 Å |
| c | 8.3755 ± 0.0005 Å |
| α | 62.684 ± 0.001° |
| β | 71.571 ± 0.001° |
| γ | 83.253 ± 0.001° |
| Cell volume | 451.47 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037848.cif |
| 177833 | 2016-03-05 | cif/ Updating files of 7037846, 7037847, 7037848, 7037849, 7037850, 7037851, 7037852, 7037853, 7037854 Original log message: Adding full bibliography for 7037846--7037854.cif. |
7037848.cif |
| 173546 | 2016-01-06 | cif/ Adding structures of 7037846, 7037847, 7037848, 7037849, 7037850, 7037851, 7037852, 7037853, 7037854 via cif-deposit CGI script. |
7037848.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.