Information card for entry 1563597

Structure parameters

• Formula: C31 H47 N Ni P2
• Calculated formula: C31 H47 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: 10.0108 ± 0.0001 Å
• b: 35.7026 ± 0.0004 Å
• c: 16.8198 ± 0.0001 Å
• α: 90°
• β: 90.704 ± 0.001°
• γ: 90°
• Cell volume: 6011.14 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No