Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4350794
Preview
| Coordinates | 4350794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30.5 H51 Cl2 N2 P2 Re |
|---|---|
| Calculated formula | C30.5 H51 Cl2 N2 P2 Re |
| 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 | 19.5539 ± 0.0004 Å |
| b | 12.7308 ± 0.0002 Å |
| c | 28.3182 ± 0.0007 Å |
| α | 90° |
| β | 108.978 ± 0.003° |
| γ | 90° |
| Cell volume | 6666.3 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264806 (current) | 2021-05-04 | cif/ Adding structures of 4350794, 4350795, 4350796 via cif-deposit CGI script. |
4350794.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.