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Information card for entry 1559852
Preview
| Coordinates | 1559852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H38 B2 F6 Fe N10 Sb |
|---|---|
| Calculated formula | C37 H38 B2 F6 Fe N10 Sb |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Fe]1234([n]5n(ccc5)[B](n5[n]1ccc5)(c1ccc(cc1)C)c1[n]2c(ccc1)[B](n1[n]3ccc1)(n1[n]4ccc1)c1ccc(cc1)C)[NH3].c1ccccc1 |
| 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 | 11.98 ± 0.0002 Å |
| b | 25.1657 ± 0.0005 Å |
| c | 14.4893 ± 0.0003 Å |
| α | 90° |
| β | 114.204 ± 0.001° |
| γ | 90° |
| Cell volume | 3984.3 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| 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 | 0.0593 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1559852.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. |
1559852.cif |
| 260121 | 2020-12-24 | cif/ Adding structures of 1559850, 1559851, 1559852, 1559853, 1559854, 1559855 via cif-deposit CGI script. |
1559852.cif |
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Users of the data should acknowledge the original authors of the
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