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Information card for entry 4514701
Preview
| Coordinates | 4514701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C129 H106 B2 F48 Fe2 N8 P6 |
|---|---|
| Calculated formula | C129 H106 B2 F48 Fe2 N8 P6 |
| Title of publication | Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation. |
| Authors of publication | Schild, Dirk J.; Peters, Jonas C. |
| Journal of publication | ACS catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 4286 - 4295 |
| a | 22.4451 ± 0.0018 Å |
| b | 12.1053 ± 0.0006 Å |
| c | 25.482 ± 0.002 Å |
| α | 90° |
| β | 101.904 ± 0.004° |
| γ | 90° |
| Cell volume | 6774.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.1178 |
| Residual factor for significantly intense reflections | 0.0967 |
| Weighted residual factors for significantly intense reflections | 0.2546 |
| Weighted residual factors for all reflections included in the refinement | 0.2736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219876 (current) | 2019-10-28 | cif/ Adding structures of 4514699, 4514700, 4514701, 4514702, 4514703, 4514704, 4514705 via cif-deposit CGI script. |
4514701.cif |
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Users of the data should acknowledge the original authors of the
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