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CIF Information Card
Information card for 7101896
7101895 << 7101896 >> 7101897Preview
|
Coordinates |
7101896.cif |
Structure parameters
| Common name | Bis-(1,3-di(isopropyl)imidazol-2- ylidene)(methylsulfoxyl)(phenyl)nickel(ii) |
| Chemical name | Bis-{1,3-di(isopropyl)imidazol-2-ylidene}(methylsulfoxyl)(phenyl)nickel(II) |
| Formula | - C30.5 H47.5 N4 Ni O1.5 S - |
| Calculated formula | - C30.5 H47.5 N4 Ni O1.5 S - |
| Title of publication | Unusual nickel-mediated C-S cleavage of alkyl and aryl sulfoxides. |
| Authors of publication | Schaub, Thomas; Backes, Marc; Radius, Udo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 20 |
| Pages of publication | 2037 - 2039 |
| a | 39.444 ± 0.0018 Å |
| b | 10.166 ± 0.0014 Å |
| c | 17.216 ± 0.003 Å |
| α | 90° |
| β | 100.999 ± 0.018° |
| γ | 90° |
| Cell volume | 6776.5 ± 1.4 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 all reflections | 0.0587 |
| Residual factor for observed reflections | 0.0486 |
| Weighted residual factors for the observed reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for observed reflections | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |