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CIF Information Card
Information card for 7101887
7101886 << 7101887 >> 7101888Preview
|
Coordinates |
7101887.cif |
Structure parameters
| Formula | - C47 H51 I Mn N4 - |
| Calculated formula | - C47 H51 I Mn N4 - |
| Title of publication | Iodomanganesecorrole - a stable Mn IV -I species. |
| Authors of publication | Bröring, Martin; Hell, Christian; Brandt, Carsten D |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 18 |
| Pages of publication | 1861 - 1862 |
| a | 10.828 ± 0.0009 Å |
| b | 13.8006 ± 0.0011 Å |
| c | 14.7237 ± 0.0011 Å |
| α | 82.033 ± 0.001° |
| β | 79.093 ± 0.001° |
| γ | 67.676 ± 0.001° |
| Cell volume | 1993.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0355 |
| Residual factor for observed reflections | 0.0334 |
| Weighted residual factors for the observed reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for observed reflections | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |