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Information card for entry 4513797
Preview
| Coordinates | 4513797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate) |
|---|---|
| Formula | C24 H34 F6 Mn N4 O8 S2 |
| Calculated formula | C24 H34 F6 Mn N4 O8 S2 |
| Title of publication | Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification |
| Authors of publication | Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 979 |
| a | 18.0992 ± 0.0004 Å |
| b | 9.65395 ± 0.00015 Å |
| c | 19.7948 ± 0.0004 Å |
| α | 90° |
| β | 110.024 ± 0.002° |
| γ | 90° |
| Cell volume | 3249.64 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1828 |
| Weighted residual factors for all reflections included in the refinement | 0.1949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513797.cif |
| 177384 | 2016-03-04 | cif/ Updating files of 4513797 Original log message: Adding full bibliography for 4513797.cif. |
4513797.cif |
| 174416 | 2016-01-14 | cif/ Adding structures of 4513797 via cif-deposit CGI script. |
4513797.cif |
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Users of the data should acknowledge the original authors of the
structural data.