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Information card for entry 7046007
Preview
| Coordinates | 7046007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H86 Cu2 N4 O15 |
|---|---|
| Calculated formula | C72 H86 Cu2 N4 O15 |
| 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 | 52.0046 ± 0.0017 Å |
| b | 5.9991 ± 0.0002 Å |
| c | 21.5105 ± 0.0008 Å |
| α | 90° |
| β | 90.359 ± 0.002° |
| γ | 90° |
| Cell volume | 6710.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0898 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7046007.cif |
| 229873 | 2019-11-17 | cif/ Updating files of 7046007, 7046008, 7046009, 7046010, 7046011 Original log message: Adding full bibliography for 7046007--7046011.cif. |
7046007.cif |
| 207289 | 2018-04-11 | cif/ Adding structures of 7046007, 7046008, 7046009, 7046010, 7046011 via cif-deposit CGI script. |
7046007.cif |
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Users of the data should acknowledge the original authors of the
structural data.