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Information card for entry 4518364
Preview
| Coordinates | 4518364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H27 Cl2 F12.43 Fe N7 P2 |
|---|---|
| Calculated formula | C31 H27 Cl2 F12.43 Fe N7 P2 |
| Title of publication | An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO |
| Authors of publication | Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 615 - 626 |
| a | 13.7127 ± 0.0002 Å |
| b | 17.4292 ± 0.0003 Å |
| c | 16.0993 ± 0.0002 Å |
| α | 90° |
| β | 107.938 ± 0.001° |
| γ | 90° |
| Cell volume | 3660.72 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 7 |
| 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 | 0.086 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260203 (current) | 2020-12-30 | cif/ Adding structures of 4518364 via cif-deposit CGI script. |
4518364.cif |
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