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Information card for entry 4126828
Preview
| Coordinates | 4126828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41.89 H72.77 B2 Cl3.77 Fe N9 |
|---|---|
| Calculated formula | C41.885 H72.77 B2 Cl3.77 Fe N9 |
| 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 | 15.8817 ± 0.0007 Å |
| b | 16.285 ± 0.0007 Å |
| c | 20.1341 ± 0.0009 Å |
| α | 68.602 ± 0.002° |
| β | 76.235 ± 0.003° |
| γ | 84.515 ± 0.002° |
| Cell volume | 4708.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0949 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2276 |
| Weighted residual factors for all reflections included in the refinement | 0.2384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204186 (current) | 2017-12-13 | cif/ Adding structures of 4126828 via cif-deposit CGI script. |
4126828.cif |
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