Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023318
Preview
| Coordinates | 2023318.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 1,10-Phenanthrolinium violurate violuric acid pentahydrate |
|---|---|
| Chemical name | 1,10-Phenanthrolinium 6-hydroxy-5-(oxidoimino)-1,3-diazinane-2,4-dione–\ 6-hydroxy-5-(hydroxyimino)-1,3-diazinane-2,4-dione–water (1/1/5) |
| Formula | C20 H24 N8 O13 |
| Calculated formula | C20 H20 N8 O13 |
| Title of publication | Crystal structure of 1,10-phenanthrolinium violurate violuric acid pentahydrate |
| Authors of publication | Seidel, Rüdiger W.; Kolev, Tsonko M. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 12 |
| a | 8.247 ± 0.003 Å |
| b | 12.0714 ± 0.0016 Å |
| c | 25.771 ± 0.004 Å |
| α | 90° |
| β | 98.572 ± 0.016° |
| γ | 90° |
| Cell volume | 2536.9 ± 1.1 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.146 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295930 (current) | 2024-11-15 | cif/ Adding structures of 2023318 via cif-deposit CGI script. |
2023318.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.