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Information card for entry 4518880
Preview
| Coordinates | 4518880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H47 Mn N4 O S4 |
|---|---|
| Calculated formula | C44 H47 Mn N4 O S4 |
| Title of publication | Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway |
| Authors of publication | Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 9043 - 9051 |
| a | 13.8594 ± 0.001 Å |
| b | 19.0914 ± 0.0013 Å |
| c | 16.2268 ± 0.0011 Å |
| α | 90° |
| β | 103 ± 0.002° |
| γ | 90° |
| Cell volume | 4183.5 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.05 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267441 (current) | 2021-07-10 | cif/ Adding structures of 4518880 via cif-deposit CGI script. |
4518880.cif |
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