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CIF Information Card
Information card for 4114689
4114688 << 4114689 >> 4114690Preview
|
Coordinates |
4114689.cif |
Structure parameters
| Common name | 00348 |
| Formula | - C40 H52 F12 Fe2 N8 O12 S4 - |
| Calculated formula | - C40 H52 F12 Fe2 N8 O12 S4 - |
| 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 | 16.353 ± 0.002 Å |
| b | 18.707 ± 0.003 Å |
| c | 18.231 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5577.1 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P n a 21 |
| Hall symmetry space group | P 2c -2n |
| Residual factor for all reflections | 0.0755 |
| Residual factor for observed reflections | 0.0465 |
| Weighted residual factors for the observed reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for observed reflections | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |