Information card for entry 7108342

Structure parameters

• Common name: NiL2(COD)
• Formula: C21 H24 N2 Ni
• Calculated formula: C21 H24 N2 Ni
• SMILES: [Ni]1234([N](=Cc5[n]1cccc5)Cc1ccccc1)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: Carbon disulfide binding at dinuclear and mononuclear nickel complexes ligated by a redox-active ligand: iminopyridine serving as an accumulator of redox equivalents for the activation of heteroallenes
• Authors of publication: Amarnath Bheemaraju; Jeffrey Beattie; Richard Lord; Philip Martin; Stanislav Groysman
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9595
• a: 25.286 ± 0.003 Å
• b: 7.3278 ± 0.0006 Å
• c: 21.348 ± 0.002 Å
• α: 90°
• β: 120.423 ± 0.008°
• γ: 90°
• Cell volume: 3410.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No