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Information card for entry 4125808
Preview
| Coordinates | 4125808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H33 Br3 Fe O3 P2 |
|---|---|
| Calculated formula | C22 H33 Br3 Fe O3 P2 |
| Title of publication | The Ferraquinone-Ferrahydroquinone Couple: Combining Quinonic and Metal-Based Reactivity. |
| Authors of publication | Dauth, Alexander; Gellrich, Urs; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 7 |
| Pages of publication | 2799 - 2807 |
| a | 9.5234 ± 0.0003 Å |
| b | 11.7435 ± 0.0003 Å |
| c | 12.329 ± 0.0004 Å |
| α | 82.598 ± 0.002° |
| β | 82.607 ± 0.002° |
| γ | 69.849 ± 0.001° |
| Cell volume | 1278.39 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193164 (current) | 2017-03-04 | cif/ Adding structures of 4125806, 4125807, 4125808, 4125809 via cif-deposit CGI script. |
4125808.cif |
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Users of the data should acknowledge the original authors of the
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