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Information card for entry 7708444
Preview
| Coordinates | 7708444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H105 Br16 Cu6 N14 O23 |
|---|---|
| Calculated formula | C74 H96 Br16 Cu6 N14 O20 |
| Title of publication | Proton controlled synthesis of two dicopper(II) complexes and their magnetic and biomimetic catalytic studies along with probing the binding mode of the substrate to the metal centre |
| Authors of publication | Jana, Narayan Ch.; Ghorai, Pravat; Brandão, Paula; Jaglicic, Zvonko; Panja, Anangamohan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 12.631 ± 0.015 Å |
| b | 14.08 ± 0.02 Å |
| c | 15.56 ± 0.02 Å |
| α | 77.86 ± 0.05° |
| β | 70.99 ± 0.05° |
| γ | 76.97 ± 0.05° |
| Cell volume | 2521 ± 6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0513 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269332 (current) | 2021-09-28 | cif/ Adding structures of 7708442, 7708443, 7708444 via cif-deposit CGI script. |
7708444.cif |
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Users of the data should acknowledge the original authors of the
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