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CIF Information Card
Information card for 1100739
1100738 << 1100739 >> 1100740Preview
|
Coordinates |
1100739.cif |
Structure parameters
| Formula | - C84 H76 B2 Mn2 N8 O2 - |
| Calculated formula | - C84 H76 B2 Mn2 N8 O2 - |
| Title of publication | Aerobic Catechol Oxidation Catalyzed by a Bis(μ-oxo)dimanganese(III,III) Complex via a Manganese(II)-Semiquinonate Complex |
| Authors of publication | Yutaka Hitomi; Akira Ando; Hajime Matsui; Tomoyuki Ito; Tsunehiro Tanaka; Seiji Ogo; Takuzo Funabiki |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3473 - 3478 |
| a | 19.474 ± 0.002 Å |
| b | 14.884 ± 0.002 Å |
| c | 24.538 ± 0.003 Å |
| α | 90° |
| β | 105.37 ± 0.003° |
| γ | 90° |
| Cell volume | 6858 ± 1.4 Å3 |
| Cell temperature | 243.2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for observed reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.1797 |
| Goodness-of-fit parameter for observed reflections | 1.055 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |