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Information card for entry 4132022
Preview
| Coordinates | 4132022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H65 Mn N4 O |
|---|---|
| Calculated formula | C97 H65 Mn N4 O |
| Title of publication | A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds. |
| Authors of publication | Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 12 |
| Pages of publication | 4380 - 4390 |
| a | 14.2994 ± 0.0003 Å |
| b | 16.0576 ± 0.0003 Å |
| c | 21.14 ± 0.0003 Å |
| α | 95.3261 ± 0.0013° |
| β | 105.447 ± 0.0015° |
| γ | 110.607 ± 0.0016° |
| Cell volume | 4284.67 ± 0.15 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242064 (current) | 2019-11-25 | cif/ Adding structures of 4132022 via cif-deposit CGI script. |
4132022.cif |
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Users of the data should acknowledge the original authors of the
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