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Information card for entry 7047953
Preview
| Coordinates | 7047953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | work |
|---|---|
| Formula | C20 H30 F6 Mn N6 O6 S2 |
| Calculated formula | C20 H30 F6 Mn N6 O6 S2 |
| Title of publication | Catalytic oxidation of alcohols with novel non-heme N<sub>4</sub>-tetradentate manganese(ii) complexes. |
| Authors of publication | Vermaak, Vincent; Young, Desmond A.; Swarts, Andrew J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 46 |
| Pages of publication | 16534 - 16542 |
| a | 9.3461 ± 0.0003 Å |
| b | 9.3461 ± 0.0003 Å |
| c | 32.8191 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2866.73 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Ambient diffracton pressure | 101.3 kPa |
| Number of distinct elements | 7 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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 |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047953.cif |
| 229652 | 2019-11-17 | cif/ Updating files of 7047953, 7047954 Original log message: Adding full bibliography for 7047953--7047954.cif. |
7047953.cif |
| 211801 | 2018-11-06 | cif/ Adding structures of 7047953, 7047954 via cif-deposit CGI script. |
7047953.cif |
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Users of the data should acknowledge the original authors of the
structural data.