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Information card for entry 7046009
Preview
| Coordinates | 7046009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C121.5 H106 Cu3 N6 O21.5 |
|---|---|
| Calculated formula | C121.5 H106 Cu3 N6 O21.5 |
| Title of publication | Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand. |
| Authors of publication | Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 18 |
| Pages of publication | 6479 - 6493 |
| a | 12.9562 ± 0.0006 Å |
| b | 15.7183 ± 0.0007 Å |
| c | 16.1429 ± 0.0007 Å |
| α | 78.243 ± 0.002° |
| β | 71.856 ± 0.002° |
| γ | 66.888 ± 0.002° |
| Cell volume | 2860.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.2201 |
| Weighted residual factors for all reflections included in the refinement | 0.2534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046009.cif |
| 229873 | 2019-11-17 | cif/ Updating files of 7046007, 7046008, 7046009, 7046010, 7046011 Original log message: Adding full bibliography for 7046007--7046011.cif. |
7046009.cif |
| 207289 | 2018-04-11 | cif/ Adding structures of 7046007, 7046008, 7046009, 7046010, 7046011 via cif-deposit CGI script. |
7046009.cif |
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Users of the data should acknowledge the original authors of the
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