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Information card for entry 4126832
Preview
| Coordinates | 4126832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H41 Br2 Fe N5 |
|---|---|
| Calculated formula | C27 H41 Br2 Fe N5 |
| SMILES | c12cccc3c4cc(C(C)(C)C)n(CCCC)[n]4[Fe]([n]23)([n]2c1cc(C(C)(C)C)n2CCCC)(Br)Br |
| Title of publication | Hydrazine Capture and N-N Bond Cleavage at Iron Enabled by Flexible Appended Lewis Acids. |
| Authors of publication | Kiernicki, John J.; Zeller, Matthias; Szymczak, Nathaniel K. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 15.5028 ± 0.0003 Å |
| b | 39.8514 ± 0.0007 Å |
| c | 9.9718 ± 0.0002 Å |
| α | 90° |
| β | 104.45 ± 0.0008° |
| γ | 90° |
| Cell volume | 5965.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204190 (current) | 2017-12-13 | cif/ Adding structures of 4126832 via cif-deposit CGI script. |
4126832.cif |
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