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Information card for entry 4131646
Preview
| Coordinates | 4131646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H78 F6 Fe N4 O6 S2 Si3 |
|---|---|
| Calculated formula | C47 H78 F6 Fe N4 O6 S2 Si3 |
| Title of publication | Mechanistically Driven Development of an Iron Catalyst for Selective Syn-Dihydroxylation of Alkenes with Aqueous Hydrogen Peroxide. |
| Authors of publication | Borrell, Margarida; Costas, Miquel |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 36 |
| Pages of publication | 12821 - 12829 |
| a | 14.102 ± 0.004 Å |
| b | 26.662 ± 0.007 Å |
| c | 16.337 ± 0.004 Å |
| α | 90° |
| β | 105.559 ± 0.004° |
| γ | 90° |
| Cell volume | 5917 ± 3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241822 (current) | 2019-11-25 | cif/ Adding structures of 4131646 via cif-deposit CGI script. |
4131646.cif |
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