Information card for entry 4074118

Structure parameters

• Chemical name: Tris-{1,3-di(methyl)imidazol-2-ylidene}nickel(0)
• Formula: C15 H24 N6 Ni
• Calculated formula: C15 H24 N6 Ni
• SMILES: [Ni](=C1N(C=CN1C)C)(=C1N(C=CN1C)C)=C1N(C=CN1C)C
• Title of publication: Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene
• Authors of publication: Schaub, Thomas; Backes, Marc; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4196
• a: 8.2976 ± 0.0009 Å
• b: 9.9888 ± 0.0012 Å
• c: 12.2401 ± 0.0015 Å
• α: 102.199 ± 0.014°
• β: 105.149 ± 0.014°
• γ: 110.023 ± 0.013°
• Cell volume: 868 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No