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Information card for entry 1577343
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H64 Br2 Mn2 N4 O8 |
|---|---|
| Calculated formula | C50 H64 Br2 Mn2 N4 O8 |
| Title of publication | A secondary-sphere proton channel accelerating metal-hydride formation in Mn(i) catalysts for selective CO<sub>2</sub>-to-formate conversion. |
| Authors of publication | Bong, Min-Jong; Lee, Wonjung; Lee, Daehan; Kim, Hyunuk; Seo, Junhyeok; Son, Ho-Jin |
| Journal of publication | Chemical science |
| Year of publication | 2026 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 9535 - 9551 |
| a | 20.729 ± 0.006 Å |
| b | 12.375 ± 0.003 Å |
| c | 21.623 ± 0.006 Å |
| α | 90° |
| β | 106.022 ± 0.01° |
| γ | 90° |
| Cell volume | 5331 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.102 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2274 |
| Weighted residual factors for all reflections included in the refinement | 0.2488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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