Information card for entry 7101896

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, United Kingdom)
• 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 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No