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Information card for entry 4518363
Preview
| Coordinates | 4518363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29.5 H23 Cl F12 Fe N6 O P2 |
|---|---|
| Calculated formula | C29.5 H23 Cl F12 Fe N6 O 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 | 20.0016 ± 0.0005 Å |
| b | 18.5063 ± 0.0005 Å |
| c | 18.5977 ± 0.0005 Å |
| α | 90° |
| β | 105.98 ± 0.0018° |
| γ | 90° |
| Cell volume | 6618 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections | 0.1588 |
| Weighted residual factors for significantly intense reflections | 0.1451 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0209 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260202 (current) | 2020-12-30 | cif/ Adding structures of 4518363 via cif-deposit CGI script. |
4518363.cif |
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