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Information card for entry 1559854
Preview
| Coordinates | 1559854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 B2 F Fe N9 |
|---|---|
| Calculated formula | C31 H29 B2 F Fe N9 |
| SMILES | [B]12(c3ccc(cc3)C)n3ccc[n]3[Fe]34(F)([n]5cccn15)[n]1c2cccc1[B](c1ccc(cc1)C)(n1ccc[n]31)n1ccc[n]41 |
| Title of publication | Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. |
| Authors of publication | Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 2231 - 2241 |
| a | 8.245 ± 0.0004 Å |
| b | 19.3287 ± 0.001 Å |
| c | 18.0484 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2876.3 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267085 (current) | 2021-07-05 | cif/ Updating files of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 Original log message: Adding full bibliography for 1559850--1559855.cif. |
1559854.cif |
| 262542 | 2021-03-05 | cif/ Updating files of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 Original log message: Adding full bibliography for 1559850--1559855.cif. |
1559854.cif |
| 260121 | 2020-12-24 | cif/ Adding structures of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 via cif-deposit CGI script. |
1559854.cif |
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structural data.