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Information card for entry 4088633
Preview
| Coordinates | 4088633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H29 Br2 Fe N O P2 |
|---|---|
| Calculated formula | C13 H29 Br2 Fe N O P2 |
| SMILES | Br[Fe]12(Br)([P](CC[NH]2CC[P]1(CC)CC)(CC)CC)C#[O] |
| Title of publication | Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes |
| Authors of publication | Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1931 |
| a | 7.816 ± 0.0016 Å |
| b | 13.282 ± 0.003 Å |
| c | 18.765 ± 0.004 Å |
| α | 90° |
| β | 100.14 ± 0.03° |
| γ | 90° |
| Cell volume | 1917.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237733 (current) | 2019-11-24 | cif/ Adding structures of 4088633 via cif-deposit CGI script. |
4088633.cif |
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Users of the data should acknowledge the original authors of the
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