Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237232
Preview
| Coordinates | 7237232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | amino(hydrazinyl)methaniminium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl) methanide |
|---|---|
| Formula | C4 H9 N9 O5 |
| Calculated formula | C4 H9 N9 O5 |
| Title of publication | Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials |
| Authors of publication | Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 45 |
| Pages of publication | 22705 |
| a | 3.6481 ± 0.0001 Å |
| b | 10.9836 ± 0.0004 Å |
| c | 13.2014 ± 0.0004 Å |
| α | 107.196 ± 0.002° |
| β | 95.394 ± 0.002° |
| γ | 99.113 ± 0.002° |
| Cell volume | 493.35 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237506 (current) | 2019-11-24 | cif/ Adding structures of 7237231, 7237232, 7237233 via cif-deposit CGI script. |
7237232.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.