Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235499
Preview
| Coordinates | 7235499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H3 Cu N5 O6 |
|---|---|
| Calculated formula | C7 H3 Cu N5 O6 |
| Title of publication | 3D high-energy-density and low sensitivity materials: synthesis, structure and physicochemical properties of an azide‒Cu(ii) complex with 3,5-dinitrobenzoic acid |
| Authors of publication | Liu, Xiangyu; Yang, Qi; Su, Zhiyong; Chen, Sanping; Xie, Gang; Wei, Qing; Gao, Shengli |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 31 |
| Pages of publication | 16087 |
| a | 6.747 ± 0.002 Å |
| b | 9.047 ± 0.003 Å |
| c | 16.973 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1036 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0777 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233079 (current) | 2019-11-23 | cif/ Adding structures of 7235499 via cif-deposit CGI script. |
7235499.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.