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Information card for entry 4126829
Preview
| Coordinates | 4126829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H85 B2 Fe N7 O2.78 |
|---|---|
| Calculated formula | C59 H85 B2 Fe N7 O2.783 |
| 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 | 10.8379 ± 0.0009 Å |
| b | 16.9517 ± 0.0011 Å |
| c | 19.8869 ± 0.0015 Å |
| α | 105.865 ± 0.003° |
| β | 105.194 ± 0.002° |
| γ | 105.175 ± 0.002° |
| Cell volume | 3165.3 ± 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 | 0.0867 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.15 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204187 (current) | 2017-12-13 | cif/ Adding structures of 4126829 via cif-deposit CGI script. |
4126829.cif |
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Users of the data should acknowledge the original authors of the
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