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Information card for entry 4126827
Preview
| Coordinates | 4126827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H67 B2 Cl2 Fe N7 |
|---|---|
| Calculated formula | C41 H67 B2 Cl2 Fe N7 |
| SMILES | [Fe]12(Cl)(Cl)[n]3n4c(cc3c3[n]1c(ccc3)c1[n]2n(c(c1)C(C)(C)C)CCC[B]1([NH2][NH2][B]2(CCC4)C3CCCC2CCC3)C2CCCC1CCC2)C(C)(C)C |
| 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 | 11.6941 ± 0.0005 Å |
| b | 14.2839 ± 0.0007 Å |
| c | 15.016 ± 0.0007 Å |
| α | 111.275 ± 0.003° |
| β | 107.007 ± 0.002° |
| γ | 98.892 ± 0.003° |
| Cell volume | 2137.29 ± 0.19 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204185 (current) | 2017-12-13 | cif/ Adding structures of 4126827 via cif-deposit CGI script. |
4126827.cif |
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