Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7700606
Preview
| Coordinates | 7700606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H13 Cu N3 O2 |
|---|---|
| Calculated formula | C19 H13 Cu N3 O2 |
| Title of publication | All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer. |
| Authors of publication | Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 41 |
| Pages of publication | 15553 - 15559 |
| a | 7.795 ± 0.0002 Å |
| b | 17.1368 ± 0.0006 Å |
| c | 23.0559 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3079.84 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700606.cif |
| 223909 | 2019-11-07 | cif/ Updating files of 7700601, 7700602, 7700603, 7700604, 7700605, 7700606, 7700607, 7700608, 7700609, 7700610, 7700611, 7700612, 7700613, 7700614, 7700615 Original log message: Adding full bibliography for 7700601--7700615.cif. |
7700606.cif |
| 217207 | 2019-07-23 | cif/ Adding structures of 7700601, 7700602, 7700603, 7700604, 7700605, 7700606, 7700607, 7700608, 7700609, 7700610, 7700611, 7700612, 7700613, 7700614, 7700615 via cif-deposit CGI script. |
7700606.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.