Information card for entry 4074122

Structure parameters

• Chemical name: Bis-{1,3-di(isopropyl)-imidazol-2-ylidene}(h2-dimethyl acethylene)nickel(0)
• Formula: C22 H38 N4 Ni
• Calculated formula: C22 H38 N4 Ni
• SMILES: [Ni]1(=C2N(C=CN2C(C)C)C(C)C)(=C2N(C=CN2C(C)C)C(C)C)[C](#[C]1C)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: 15.974 ± 0.003 Å
• b: 16.264 ± 0.003 Å
• c: 21.793 ± 0.004 Å
• α: 98.42 ± 0.03°
• β: 91.06 ± 0.03°
• γ: 90.03 ± 0.03°
• Cell volume: 5599.8 ± 1.8 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: 0.1433
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2691
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No