Information card for entry 4087353

Structure parameters

• Formula: C45 H61 B N Ni P
• Calculated formula: C45 H61 B N Ni P
• Title of publication: Oxidative Addition of Allylammonium BPh4-to Nickel(0): Synthesis, Crystal Structure, Fluxional Behavior, and Catalytic Activity of Chiral [(η3-allyl)(NH3)(PCy3)Ni]BPh4
• Authors of publication: Aresta, Michele; Dibenedetto, Angela; Quaranta, Eugenio; Lanfranchi, Maurizio; Tiripicchio, Antonio
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 4199
• a: 14.913 ± 0.004 Å
• b: 17.559 ± 0.006 Å
• c: 16.333 ± 0.005 Å
• α: 90°
• β: 110.59 ± 0.02°
• γ: 90°
• Cell volume: 4004 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2544
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No