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Information card for entry 4122648
Preview
Coordinates | 4122648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H28 Cl2 F5 Fe N6 O8 |
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Calculated formula | C37 H28 Cl2 F5 Fe N6 O8 |
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 | 12.0434 ± 0.0003 Å |
b | 16.6809 ± 0.0003 Å |
c | 19.6812 ± 0.0004 Å |
α | 90° |
β | 105.521 ± 0.002° |
γ | 90° |
Cell volume | 3809.66 ± 0.15 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0449 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4122648.html
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