Information card for entry 4074120

Structure parameters

• Chemical name: Bis-{1,3-di(methyl)-imidazol-2-ylidene}(biphenylendiyl)nickel(0)
• Formula: C23 H26 Cl2 N4 Ni
• Calculated formula: C23 H26 Cl2 N4 Ni
• SMILES: [Ni]1(=C2N(C=CN2C)C)(=C2N(C=CN2C)C)c2ccccc2c2ccccc12.C(Cl)Cl
• 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: 11.706 ± 0.002 Å
• b: 9.935 ± 0.002 Å
• c: 19.644 ± 0.004 Å
• α: 90°
• β: 91.3 ± 0.03°
• γ: 90°
• Cell volume: 2284 ± 0.8 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: 0.1004
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No