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Information card for entry 4350795
Preview
| Coordinates | 4350795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H84 Cl4 N4 P4 Re2 |
|---|---|
| Calculated formula | C44 H84 Cl4 N4 P4 Re2 |
| Title of publication | Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System. |
| Authors of publication | Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2021 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | 6115 - 6124 |
| a | 17.3984 ± 0.0002 Å |
| b | 17.3984 ± 0.0002 Å |
| c | 16.7004 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5055.28 ± 0.12 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0194 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264806 (current) | 2021-05-04 | cif/ Adding structures of 4350794, 4350795, 4350796 via cif-deposit CGI script. |
4350795.cif |
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Users of the data should acknowledge the original authors of the
structural data.