Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238965
Preview
| Coordinates | 7238965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H7 N9 O6 |
|---|---|
| Calculated formula | C4 H7 N9 O6 |
| Title of publication | High-energy-density materials based on 1-nitramino-2,4-dinitroimidazole |
| Authors of publication | Song, Jinhong; Wang, Kai; Liang, Lixuan; Bian, Chengming; Zhou, Zhiming |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 27 |
| Pages of publication | 10859 |
| a | 10.71 ± 0.004 Å |
| b | 13.065 ± 0.005 Å |
| c | 7.573 ± 0.003 Å |
| α | 90° |
| β | 97.613 ± 0.005° |
| γ | 90° |
| Cell volume | 1050.3 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238965.cif |
| 244481 | 2019-11-28 | cif/ Adding structures of 7238965 via cif-deposit CGI script. |
7238965.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.