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Information card for entry 1563812
Preview
| Coordinates | 1563812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 Cl N2 O3.5 Re |
|---|---|
| Calculated formula | C17 H16 Cl N2 O3.5 Re |
| Title of publication | Photocatalytic Deoxygenation of N‒O bonds with Rhenium Complexes: from the Reduction of Nitrous Oxide to Pyridine N-Oxides |
| Authors of publication | Kjellberg, Marianne; Ohleier, Alexia; Thuéry, Pierre; Nicolas, Emmanuel; Anthore-Dalion, Lucile; Cantat, Thibault |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.4935 ± 0.001 Å |
| b | 22.1756 ± 0.0017 Å |
| c | 11.2515 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3366.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.507 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266826 (current) | 2021-07-01 | cif/ Adding structures of 1563812, 1563813 via cif-deposit CGI script. |
1563812.cif |
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