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Information card for entry 4114690
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Coordinates | 4114690.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 00309 |
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Formula | C20 H26 F6 Fe N4 O6 S2 |
Calculated formula | C20 H26 F6 Fe N4 O6 S2 |
SMILES | Cc1cccc2[n]1[Fe]13([n]4c(C)cccc4C[N]3(CC[N]1(C2)C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | Olefin Cis-Dihydroxylation versus Epoxidation by Non-Heme Iron Catalysts: Two Faces of an FeIII-OOH Coin |
Authors of publication | Kui Chen; Miquel Costas; Jinheung Kim; Adrianne K. Tipton; Lawrence Que |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 3026 - 3035 |
a | 17.232 ± 0.002 Å |
b | 9.54 ± 0.001 Å |
c | 18.263 ± 0.002 Å |
α | 90° |
β | 117.312 ± 0.002° |
γ | 90° |
Cell volume | 2667.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.0991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4114690.html
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