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Information card for entry 4127264
Preview
| Coordinates | 4127264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H48 Br N2 P4 Re |
|---|---|
| Calculated formula | C20 H48 Br N2 P4 Re |
| Title of publication | Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N<sub>2</sub> Activation. |
| Authors of publication | Shanahan, James P.; Szymczak, Nathaniel K. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 21 |
| Pages of publication | 8550 - 8556 |
| a | 7.9408 ± 0.0003 Å |
| b | 8.7181 ± 0.0003 Å |
| c | 10.1314 ± 0.0003 Å |
| α | 94.734 ± 0.003° |
| β | 99.553 ± 0.003° |
| γ | 102.843 ± 0.003° |
| Cell volume | 669.13 ± 0.04 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223211 (current) | 2019-11-04 | cif/ Updating files of 4127264 Original log message: Adding full bibliography for 4127264.cif. |
4127264.cif |
| 215145 | 2019-05-15 | cif/ Adding structures of 4127264 via cif-deposit CGI script. |
4127264.cif |
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Users of the data should acknowledge the original authors of the
structural data.