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Information card for entry 1564967
Preview
| Coordinates | 1564967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Cu2 N10 O5 |
|---|---|
| Calculated formula | C26 H28 Cu2 N10 O5 |
| Title of publication | Tuning the catecholase activity of bis(pyrazolyl)methane-based copper(II) complexes by substitutions of the ligand core: unraveling a dual O2/H2O2 oxidation mechanism |
| Authors of publication | Jayaweera, Nuwanthaka P.; Hall, Ashley E.; Wilson, Ashton A.; Konkle, Mary E.; Wheeler, Kraig A.; Semeniuc, Radu F. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 506 |
| Pages of publication | 119507 |
| a | 38.1953 ± 0.0009 Å |
| b | 38.1953 ± 0.0009 Å |
| c | 10.8879 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13756.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269991 (current) | 2021-10-18 | cif/ Adding structures of 1564967 via cif-deposit CGI script. |
1564967.cif |
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