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Information card for entry 7129189
Preview
| Coordinates | 7129189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 Br Mn N2 O4 |
|---|---|
| Calculated formula | C22 H14 Br Mn N2 O4 |
| SMILES | Br[Mn]1([n]2c(C[NH]1c1ccc3cccc4C=CC(=O)c1c34)cccc2)(C#[O])(C#[O])C#[O] |
| Title of publication | Redox-active Ligand Based Mn(I)-Catalyst for Hydrosilylative Ester Reduction |
| Authors of publication | Mandal, Swadhin K.; Chakraborty, Soumi; Das, Arpan |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 10.943 ± 0.0003 Å |
| b | 12.3084 ± 0.0003 Å |
| c | 17.5419 ± 0.0004 Å |
| α | 90° |
| β | 94.232 ± 0.002° |
| γ | 90° |
| Cell volume | 2356.29 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270270 (current) | 2021-11-04 | cif/ Adding structures of 7129189, 7129190 via cif-deposit CGI script. |
7129189.cif |
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