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Information card for entry 1552025
Preview
| Coordinates | 1552025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H123 K N2 O10 U |
|---|---|
| Calculated formula | C86.0001 H123 K N2 O10 U |
| Title of publication | The role of uranium-arene bonding in H2O reduction catalysis |
| Authors of publication | Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 259 - 267 |
| a | 19.8738 ± 0.0016 Å |
| b | 19.8738 ± 0.0016 Å |
| c | 19.8738 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7849.5 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216834 (current) | 2019-07-08 | cif/ Adding structures of 1552025 via cif-deposit CGI script. |
1552025.cif |
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Users of the data should acknowledge the original authors of the
structural data.