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Information card for entry 4126830
Preview
| Coordinates | 4126830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H69 B2 Cl2 Fe N7 |
|---|---|
| Calculated formula | C42 H69 B2 Cl2 Fe N7 |
| 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 | 16.1611 ± 0.0005 Å |
| b | 16.1611 ± 0.0005 Å |
| c | 16.575 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4329.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204188 (current) | 2017-12-13 | cif/ Adding structures of 4126830 via cif-deposit CGI script. |
4126830.cif |
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Users of the data should acknowledge the original authors of the
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