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Information card for entry 4116429
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| Coordinates | 4116429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 99074a |
|---|---|
| Formula | C48 H41 B Fe N4 O1.5 |
| Calculated formula | C48 H41 B Fe N4 O1.5 |
| Title of publication | Evidence for a Nonheme Fe(IV)O Species in the Intramolecular Hydroxylation of a Phenyl Moiety |
| Authors of publication | Steven J. Lange; Hiroyuki Miyake; Lawrence Que |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 6330 - 6331 |
| a | 9.8427 ± 0.0007 Å |
| b | 13.982 ± 0.0009 Å |
| c | 15.5076 ± 0.001 Å |
| α | 64.763 ± 0.001° |
| β | 77.158 ± 0.001° |
| γ | 88.792 ± 0.001° |
| Cell volume | 1875.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections | 0.1048 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Goodness-of-fit parameter for all reflections | 1.015 |
| Goodness-of-fit parameter for significantly intense reflections | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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