Information card for entry 1563594

Structure parameters

• Formula: C39 H51 N Ni P2
• Calculated formula: C39 H51 N Ni P2
• Title of publication: Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds
• Authors of publication: Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.323 ± 0.002 Å
• b: 11.661 ± 0.002 Å
• c: 14.412 ± 0.003 Å
• α: 109.18 ± 0.03°
• β: 106.05 ± 0.03°
• γ: 91.67 ± 0.03°
• Cell volume: 1712.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No