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Information card for entry 4131831
Preview
| Coordinates | 4131831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H112 K N2 Nd O10 |
|---|---|
| Calculated formula | C81 H112 K N2 Nd O10 |
| Title of publication | Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes. |
| Authors of publication | Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 7 |
| Pages of publication | 2587 - 2594 |
| a | 19.894 ± 0.003 Å |
| b | 19.894 ± 0.003 Å |
| c | 19.894 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7873 ± 2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 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 | 0.0434 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241966 (current) | 2019-11-25 | cif/ Adding structures of 4131831 via cif-deposit CGI script. |
4131831.cif |
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Users of the data should acknowledge the original authors of the
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