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Information card for entry 4122649
Preview
Coordinates | 4122649.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H28 Cl2 F3 Fe N6 O9 |
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Calculated formula | C37 H28 Cl2 F3 Fe N6 O9 |
Title of publication | Direct Observation of a Nonheme Iron(IV)-Oxo Complex That Mediates Aromatic C-F Hydroxylation. |
Authors of publication | Sahu, Sumit; Quesne, Matthew G.; Davies, Casey G.; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Siegler, Maxime A.; Jameson, Guy N. L.; de Visser, Sam P.; Goldberg, David P. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 39 |
Pages of publication | 13542 - 13545 |
a | 11.468 ± 0.0003 Å |
b | 13.2371 ± 0.0004 Å |
c | 14.0375 ± 0.0004 Å |
α | 107.298 ± 0.002° |
β | 90.325 ± 0.002° |
γ | 115.477 ± 0.003° |
Cell volume | 1814.52 ± 0.11 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for significantly intense reflections | 0.2086 |
Weighted residual factors for all reflections included in the refinement | 0.2158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122649.html
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