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CIF Information Card
Information card for 7101745
7101744 << 7101745 >> 7101746Preview
|
Coordinates |
7101745.cif |
Structure parameters
| Formula | - C52 H92 Mn2 Si4 - |
| Calculated formula | - C52 H92 Mn2 Si4 - |
| Title of publication | Mn2 bis(pentalene): a mixed-spin bimetallic with two extremes of bonding within the same molecule. |
| Authors of publication | Balazs, Gabor; Cloke, F Geoffrey N; Harrison, Andrew; Hitchcock, Peter B; Green, Jennifer; Summerscales, Owen T |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 873 - 875 |
| a | 20.5816 ± 0.0009 Å |
| b | 20.9291 ± 0.0011 Å |
| c | 12.3807 ± 0.0004 Å |
| α | 90° |
| β | 94.419 ± 0.003° |
| γ | 90° |
| Cell volume | 5317.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0977 |
| Residual factor for observed reflections | 0.0672 |
| Weighted residual factors for the observed reflections | 0.1534 |
| Weighted residual factors for all reflections included in the refinement | 0.1683 |
| Goodness-of-fit parameter for observed reflections | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |