Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104925
Preview
| Coordinates | 8104925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 6-diazo-3,5-dichloro-2,4-dinitrocyclohexadiene-1-one |
|---|---|
| Formula | C6 Cl2 N4 O5 |
| Calculated formula | C6 Cl2 N4 O5 |
| Title of publication | The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5 |
| Authors of publication | Wang, Haifang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 213 - 214 |
| a | 6.0044 ± 0.0006 Å |
| b | 8.966 ± 0.0011 Å |
| c | 18.0544 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 971.97 ± 0.18 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| 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 | 0.0911 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274079 (current) | 2022-03-29 | cif/ Adding structures of 8104925 via cif-deposit CGI script. |
8104925.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.