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Information card for entry 7709346
Preview
| Coordinates | 7709346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H53 B Co N4 O3 |
|---|---|
| Calculated formula | C54 H53 B Co N4 O3 |
| Title of publication | Selective oxygenation of C–H and CC bonds with H2O2 by high-spin cobalt(ii)-carboxylate complexes |
| Authors of publication | Ghosh, Ivy; Chakraborty, Biswarup; Bera, Abhijit; Paul, Satadal; Paine, Tapan Kanti |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 11.211 ± 0.002 Å |
| b | 14.094 ± 0.003 Å |
| c | 14.988 ± 0.003 Å |
| α | 86.897 ± 0.004° |
| β | 88.338 ± 0.004° |
| γ | 70.768 ± 0.004° |
| Cell volume | 2232.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272173 (current) | 2022-01-21 | cif/ Adding structures of 7709344, 7709345, 7709346, 7709347 via cif-deposit CGI script. |
7709346.cif |
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Users of the data should acknowledge the original authors of the
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