Information card for entry 7002083

Structure parameters

• Common name: (iPr2Im)2(H)(StBu)Ni(ii)
• Chemical name: (iPr2Im)2(H)(StBu)Ni(II)
• Formula: C22 H42 N4 Ni S
• Calculated formula: C22 H42 N4 Ni S
• SMILES: S([NiH](=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C)C(C)(C)C
• 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: 8.7691 ± 0.0018 Å
• b: 9.2488 ± 0.0018 Å
• c: 17.285 ± 0.004 Å
• α: 95.4 ± 0.03°
• β: 91.24 ± 0.03°
• γ: 109.25 ± 0.03°
• Cell volume: 1315.6 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No