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Information card for entry 1546351
Preview
| Coordinates | 1546351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H5 F20 N4 Ni O2 |
|---|---|
| Calculated formula | C43 H5 F20 N4 Ni O2 |
| Title of publication | Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands |
| Authors of publication | Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 20.0377 ± 0.0005 Å |
| b | 20.0377 ± 0.0005 Å |
| c | 24.6135 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8558.5 ± 0.4 Å3 |
| Cell temperature | 179.9 ± 0.4 K |
| Ambient diffraction temperature | 179.9 ± 0.4 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197954 (current) | 2017-06-20 | cif/ Adding structures of 1546349, 1546350, 1546351 via cif-deposit CGI script. |
1546351.cif |
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Users of the data should acknowledge the original authors of the
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