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Information card for entry 1577342
Preview
| Coordinates | 1577342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H36 Br Mn N2 O5 |
|---|---|
| Calculated formula | C27 H36 Br Mn N2 O5 |
| 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 | 13.4309 ± 0.0002 Å |
| b | 13.4309 ± 0.0002 Å |
| c | 14.4904 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2263.71 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306197 (current) | 2026-06-04 | cif/ Adding structures of 1577342, 1577343 via cif-deposit CGI script. |
1577342.cif |
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