Information card for entry 4073491

Structure parameters

• Chemical name: η^6^-1,4-di(diallylamino)-trans-but-2-ene nickel(0)
• Formula: C16 H26 N2 Ni
• Calculated formula: C16 H26 N2 Ni
• SMILES: [CH2]1=[CH]2CN(C[CH]3=[CH]4CN(C[CH]5=[CH2][Ni]12345)CC=C)CC=C
• Title of publication: 4,9-Diazadodeca-1,trans-6,11-trienes as Ligands for Nickel(0), Palladium(0), and Platinum(0)
• Authors of publication: Blum, Klaus; Chernyshova, Eleonora S.; Goddard, Richard; Jonas, Klaus; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5174
• a: 13.2497 ± 0.0003 Å
• b: 4.7547 ± 0.00001 Å
• c: 25.7761 ± 0.0005 Å
• α: 90°
• β: 104.636 ± 0.0001°
• γ: 90°
• Cell volume: 1571.16 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No