Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059009
Preview
| Coordinates | 7059009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H11 N11 |
|---|---|
| Calculated formula | C9 H11 N11 |
| Title of publication | New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof |
| Authors of publication | Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 8.254 ± 0.0007 Å |
| b | 9.5081 ± 0.0008 Å |
| c | 16.5219 ± 0.0013 Å |
| α | 90° |
| β | 110.991 ± 0.003° |
| γ | 90° |
| Cell volume | 1210.59 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1637 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1261 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223440 (current) | 2019-11-07 | cif/ Adding structures of 7059007, 7059008, 7059009, 7059010 via cif-deposit CGI script. |
7059009.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.