Information card for entry 7002085

Structure parameters

• Common name: (iPr2Im)2(Ph)2Ni(ii)
• Chemical name: (iPr2Im)2(Ph)2Ni(II)
• Formula: C30 H42 N4 Ni S2
• Calculated formula: C30 H42 N4 Ni S2
• SMILES: C1(N(C=CN1C(C)C)C(C)C)=[Ni](Sc1ccccc1)(=C1N(C=CN1C(C)C)C(C)C)Sc1ccccc1
• Title of publication: Facile C‒S, S‒H, and S‒S bond cleavage using a nickel(0) NHC complex
• Authors of publication: Schaub, Thomas; Backes, Marc; Plietzsch, Oliver; Radius, Udo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7071
• a: 10.418 ± 0.002 Å
• b: 9.6227 ± 0.0019 Å
• c: 16.036 ± 0.003 Å
• α: 90°
• β: 107.33 ± 0.03°
• γ: 90°
• Cell volume: 1534.6 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No