Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708162
Preview
| Coordinates | 7708162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H7 N9 O8 |
|---|---|
| Calculated formula | C6 H7 N9 O8 |
| Title of publication | Novel metal-organic frameworks assembled from the combination of polynitro-pyrazole and 5-nitroamine-1,2,4-oxadiazole: synthesis, structure and thermal properties. |
| Authors of publication | Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 37 |
| Pages of publication | 12906 - 12912 |
| a | 7.8296 ± 0.0008 Å |
| b | 22.796 ± 0.003 Å |
| c | 7.4593 ± 0.0007 Å |
| α | 90° |
| β | 108.117 ± 0.003° |
| γ | 90° |
| Cell volume | 1265.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1695 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269711 (current) | 2021-10-06 | cif/ Updating files of 7708161, 7708162, 7708163 Original log message: Adding full bibliography for 7708161--7708163.cif. |
7708162.cif |
| 268338 | 2021-09-01 | cif/ Adding structures of 7708161, 7708162, 7708163 via cif-deposit CGI script. |
7708162.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.