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Information card for entry 1577428
Preview
| Coordinates | 1577428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H118 Mn2 N4 O4 |
|---|---|
| Calculated formula | C78 H118 Mn2 N4 O4 |
| Title of publication | Visible-Light-Driven Ruthenium-Catalyzed Hydrogenation of Manganese Nitride Complexes to Ammonia under Ambient Conditions |
| Authors of publication | Yamazaki, Yasuomi; Wang, Qiubo; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 14.5819 ± 0.0006 Å |
| b | 15.3597 ± 0.0007 Å |
| c | 17.0815 ± 0.0006 Å |
| α | 78.09 ± 0.003° |
| β | 79.223 ± 0.003° |
| γ | 86.702 ± 0.003° |
| Cell volume | 3676.7 ± 0.3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.1105 |
| Weighted residual factors for significantly intense reflections | 0.2478 |
| Weighted residual factors for all reflections included in the refinement | 0.2617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.