Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7061665
Preview
| Coordinates | 7061665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H2 Cl K N6 O9 |
|---|---|
| Calculated formula | C4 H2 Cl K N6 O9 |
| Title of publication | Simple methods for the introduction of nitrate ester, amino and diazo-oxide substituents into dinitromethylpyrazole |
| Authors of publication | Zhang, Xiya; Lin, Xiangyang |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 29 |
| Pages of publication | 14186 - 14191 |
| a | 11.1 ± 0.003 Å |
| b | 15.461 ± 0.003 Å |
| c | 6.9205 ± 0.0019 Å |
| α | 90° |
| β | 102.99 ± 0.01° |
| γ | 90° |
| Cell volume | 1157.3 ± 0.5 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| 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 | 0.0975 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1287 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276934 (current) | 2022-07-26 | cif/ Adding structures of 7061664, 7061665, 7061666 via cif-deposit CGI script. |
7061665.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.