Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557327
Preview
| Coordinates | 1557327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 Cu N2 O6 |
|---|---|
| Calculated formula | C16 H16 Cu N2 O6 |
| SMILES | O[N]1=Cc2c(c(ccc2)OC)O[Cu]21Oc1c(cccc1OC)C=[N]2O |
| Title of publication | A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper |
| Authors of publication | Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N. |
| Journal of publication | Journal of Chemical Education |
| Year of publication | 2020 |
| a | 8.4484 ± 0.0007 Å |
| b | 4.8581 ± 0.0004 Å |
| c | 18.7404 ± 0.0015 Å |
| α | 90° |
| β | 94.79 ± 0.008° |
| γ | 90° |
| Cell volume | 766.48 ± 0.11 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557327.cif |
| 248240 | 2020-02-18 | cif/ Adding structures of 1557327 via cif-deposit CGI script. |
1557327.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.