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Information card for entry 7700603
Preview
| Coordinates | 7700603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H23 Cu N3 O5 S |
|---|---|
| Calculated formula | C21 H23 Cu N3 O5 S |
| 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 | 5.6328 ± 0.0002 Å |
| b | 12.7929 ± 0.0006 Å |
| c | 15.644 ± 0.0009 Å |
| α | 68.148 ± 0.005° |
| β | 81.123 ± 0.004° |
| γ | 88.371 ± 0.004° |
| Cell volume | 1033.26 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
7700603.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. |
7700603.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. |
7700603.cif |
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Users of the data should acknowledge the original authors of the
structural data.