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CIF Information Card
Information card for 7101895
7101894 << 7101895 >> 7101896Preview
|
Coordinates |
7101895.cif |
Structure parameters
| Common name | Bis-(1,3-di(isopropyl)imidazol-2- ylidene)(methylsulfoxyl)(methyl)nickel(ii) |
| Chemical name | Bis-{1,3-di(isopropyl)imidazol-2-ylidene)(methylsulfoxyl)(methyl)nickel(II) |
| Formula | - C27 H46 N4 Ni O S - |
| Calculated formula | - C27 H46 N4 Ni O 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 | 8.9991 ± 0.0006 Å |
| b | 12.2314 ± 0.0005 Å |
| c | 27.8178 ± 0.0018 Å |
| α | 90° |
| β | 93.695 ± 0.008° |
| γ | 90° |
| Cell volume | 3055.6 ± 0.3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0632 |
| Residual factor for observed reflections | 0.04 |
| Weighted residual factors for the observed reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for observed reflections | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |