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Information card for entry 2020542
Preview
| Coordinates | 2020542.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(μ-4-bromo-2-{[(3-oxidopropyl)imino]methyl}phenolato)dicopper(II) |
|---|---|
| Formula | C20 H20 Br2 Cu2 N2 O4 |
| Calculated formula | C20 H20 Br2 Cu2 N2 O4 |
| SMILES | Brc1ccc2c(C=[N]3[Cu]4(O2)[O]([Cu]25[N](=Cc6cc(Br)ccc6O5)CCC[O]42)CCC3)c1 |
| Title of publication | X-ray characterization and magnetic properties of dioxygen-bridged Cu^II^ and Mn^III^ Schiff base complexes |
| Authors of publication | Yahsi, Yasemin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 585 - 592 |
| a | 9.0043 ± 0.0002 Å |
| b | 10.2212 ± 0.0002 Å |
| c | 22.7814 ± 0.0005 Å |
| α | 90° |
| β | 92.085 ± 0.001° |
| γ | 90° |
| Cell volume | 2095.29 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0221 |
| Residual factor for significantly intense reflections | 0.0191 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020542.cif |
| 185019 | 2016-08-05 | cif/ Updating files of 2020542, 2020543 Original log message: Adding full bibliography for 2020542--2020543.cif. |
2020542.cif |
| 183936 | 2016-06-26 | cif/ hkl/ Adding structures of 2020542, 2020543 via cif-deposit CGI script. |
2020542.cif |
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Users of the data should acknowledge the original authors of the
structural data.