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CIF Information Card
Information card for 4114687
4114686 << 4114687 >> 4114688Preview
|
Coordinates |
4114687.cif |
Structure parameters
| Common name | [(Me3TACN)2Fe2(m-O2CArTol)2(MeCN)2](OTf)2 |
| Formula | - C67 H84 Cl2 F6 Fe2 N8 O10 S2 - |
| Calculated formula | - C67 H84 Cl2 F6 Fe2 N8 O10 S2 - |
| Title of publication | Catalytic Oxidation by a Carboxylate-Bridged Non-Heme Diiron Complex |
| Authors of publication | Edit Y. Tshuva; Dongwhan Lee; Weiming Bu; Stephen J. Lippard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 2416 - 2417 |
| a | 13.7111 ± 0.0005 Å |
| b | 16.1389 ± 0.0005 Å |
| c | 18.5093 ± 0.0004 Å |
| α | 85.343 ± 0.001° |
| β | 82.559 ± 0.001° |
| γ | 65.539 ± 0.001° |
| Cell volume | 3695 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1813 |
| Residual factor for observed reflections | 0.0775 |
| Weighted residual factors for the observed reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2288 |
| Goodness-of-fit parameter for observed reflections | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |