Information card for entry 7002081

Structure parameters

• Common name: (iPr2Im)2(CS-Dibenzothiophenylato)Ni(ii)
• Chemical name: (iPr2Im)2(CS-Dibenzothiophenylato)Ni(II)
• Formula: C30 H40 N4 Ni S
• Calculated formula: C30 H40 N4 Ni S
• SMILES: S1[Ni](=C2N(C=CN2C(C)C)C(C)C)(=C2N(C=CN2C(C)C)C(C)C)c2ccccc2c2ccccc12
• 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: 9.9882 ± 0.0006 Å
• b: 14.4104 ± 0.0011 Å
• c: 20.4776 ± 0.0012 Å
• α: 90°
• β: 95.962 ± 0.007°
• γ: 90°
• Cell volume: 2931.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No