Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130884
Preview
| Coordinates | 7130884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Br Cl Cu N4 O7 |
|---|---|
| Calculated formula | C18 H18 Br Cl Cu0.9995 N4 O7 |
| Title of publication | Oxygen-Atom Transfer Photochemistry of a Molecular Copper Bromate Complex |
| Authors of publication | Van Trieste, Gerard Pierre; Reibenspies, Joseph; Chen, Yu-Sheng; Sengupta, Debabrata; Thompson, Richard R.; Powers, David Charles |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 9.4468 ± 0.0006 Å |
| b | 14.4723 ± 0.0009 Å |
| c | 15.7916 ± 0.001 Å |
| α | 83.285 ± 0.001° |
| β | 80.507 ± 0.001° |
| γ | 89.649 ± 0.001° |
| Cell volume | 2114.6 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278722 (current) | 2022-10-23 | cif/ Adding structures of 7130884, 7130885 via cif-deposit CGI script. |
7130884.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.