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Information card for entry 7131070
Preview
| Coordinates | 7131070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Graham178b (Subhash) |
|---|---|
| Formula | C44 H69 F Fe N2 O3 P2 |
| Calculated formula | C44 H68 F Fe N2 O3 P2 |
| Title of publication | Formation of distinct iron hydrides <i>via</i> mechanistic divergence in directed C-H Bond activation of aryl ketones, esters and amides. |
| Authors of publication | Garhwal, Subhash; Panda, Jatin; Fridman, Natalia; Karton, Amir; de Ruiter, Graham |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| Journal volume | 59 |
| Journal issue | 4 |
| Pages of publication | 426 - 429 |
| a | 11.18 ± 0.004 Å |
| b | 14.559 ± 0.005 Å |
| c | 13.993 ± 0.005 Å |
| α | 90° |
| β | 93.347 ± 0.009° |
| γ | 90° |
| Cell volume | 2273.8 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281330 (current) | 2023-03-04 | cif/ Updating files of 7131070, 7131071 Original log message: Adding full bibliography for 7131070--7131071.cif. |
7131070.cif |
| 279675 | 2022-12-03 | cif/ Adding structures of 7131070, 7131071 via cif-deposit CGI script. |
7131070.cif |
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Users of the data should acknowledge the original authors of the
structural data.