Information card for entry 4128086

Structure parameters

• Formula: C38 H55 I Ni O P2
• Calculated formula: C38 H55 I Ni O P2
• Title of publication: Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.
• Authors of publication: Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 4
• Pages of publication: 1788 - 1796
• a: 11.6198 ± 0.0002 Å
• b: 11.6198 ± 0.0002 Å
• c: 47.0073 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5496.59 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No