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Information card for entry 4088628
Preview
| Coordinates | 4088628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H45 Fe N O2 P2 |
|---|---|
| Calculated formula | C22 H45 Fe N O2 P2 |
| SMILES | [Fe]12([P](C(C)(C)C)(C(C)(C)C)CC[NH]2CC[P]1(C(C)(C)C)C(C)(C)C)(C#[O])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 | 11.892 ± 0.005 Å |
| b | 14.039 ± 0.005 Å |
| c | 15.03 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2509.3 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237724 (current) | 2019-11-24 | cif/ Adding structures of 4088628 via cif-deposit CGI script. |
4088628.cif |
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Users of the data should acknowledge the original authors of the
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