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Information card for entry 1554615
Preview
| Coordinates | 1554615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ni(TAPPy)2 |
|---|---|
| Formula | C24 H20 N10 Ni |
| Calculated formula | C24 H20 N10 Ni |
| SMILES | [Ni]12(NC(=NC(=[NH]1)c1ccccn1)c1ccccn1)NC(=NC(=[NH]2)c1ccccn1)c1ccccn1 |
| Title of publication | Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex |
| Authors of publication | Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E. |
| Journal of publication | Sustainable Energy & Fuels |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | 1172 |
| a | 7.7492 ± 0.0013 Å |
| b | 16.392 ± 0.002 Å |
| c | 8.8505 ± 0.0014 Å |
| α | 90° |
| β | 101.096 ± 0.006° |
| γ | 90° |
| Cell volume | 1103.2 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237422 (current) | 2019-11-24 | cif/ Adding structures of 1554613, 1554614, 1554615 via cif-deposit CGI script. |
1554615.cif |
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Users of the data should acknowledge the original authors of the
structural data.