Information card for entry 4074146

Structure parameters

• Chemical name: [Ni(η^3^-Allyl)(CH~3~CN)(κ^1^-C~3~H~2~N~2~(Ph^i^Pr~2~)~2~].BAr^F^~4~
• Formula: C64 H56 B F24 N3 Ni
• Calculated formula: C64 H56 B F24 N3 Ni
• Title of publication: Synthesis and Catalytic Activity of Cationic Allyl Complexes of Nickel Stabilized by a Single N-Heterocyclic Carbene Ligand
• Authors of publication: Cámpora, Juan; Ortiz de la Tabla, Laura; Palma, Pilar; Álvarez, Eleuterio; Lahoz, Fernando; Mereiter, Kurt
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3314
• a: 13.403 ± 0.002 Å
• b: 26.561 ± 0.004 Å
• c: 18.492 ± 0.003 Å
• α: 90°
• β: 106.155 ± 0.003°
• γ: 90°
• Cell volume: 6323.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No