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Information card for entry 1567462
Preview
| Coordinates | 1567462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H42 Fe N4 O2 P4 |
|---|---|
| Calculated formula | C20 H42 Fe N4 O2 P4 |
| Title of publication | Iron-catalysed Alkene and Heteroarene H/D Exchange by Reversible Protonation of Iron-hydride Intermediates |
| Authors of publication | Britton, Luke; Docherty, Jamie; Sklyaruk, Jan; Cooney, Jessica; Nichol, Gary Stephen; Dominey, Andrew; Thomas, Stephen P. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.4604 ± 0.0006 Å |
| b | 17.5579 ± 0.0011 Å |
| c | 14.6107 ± 0.0009 Å |
| α | 90° |
| β | 91.861 ± 0.002° |
| γ | 90° |
| Cell volume | 2682 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277207 (current) | 2022-08-12 | cif/ Adding structures of 1567462, 1567463, 1567464 via cif-deposit CGI script. |
1567462.cif |
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