Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123339
Preview
| Coordinates | 7123339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H8 N8 O4 |
|---|---|
| Calculated formula | C6 H8 N8 O4 |
| Title of publication | Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials |
| Authors of publication | wang, qian; Shao, Yanli; Lu, Ming |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 6.2321 ± 0.0008 Å |
| b | 5.9535 ± 0.0007 Å |
| c | 29.279 ± 0.004 Å |
| α | 90° |
| β | 93.811 ± 0.005° |
| γ | 90° |
| Cell volume | 1083.9 ± 0.2 Å3 |
| Cell temperature | 172 ± 2 K |
| Ambient diffraction temperature | 172 ± 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 | 0.0949 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214801 (current) | 2019-04-27 | cif/ Adding structures of 7123336, 7123337, 7123338, 7123339, 7123340 via cif-deposit CGI script. |
7123339.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.