Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059017
Preview
| Coordinates | 7059017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H7 N5 O2 |
|---|---|
| Calculated formula | C11 H7 N5 O2 |
| Title of publication | TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties |
| Authors of publication | Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 7.1519 ± 0.0014 Å |
| b | 10.616 ± 0.002 Å |
| c | 13.902 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1055.5 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223444 (current) | 2019-11-07 | cif/ Adding structures of 7059017, 7059018, 7059019 via cif-deposit CGI script. |
7059017.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.