Information card for entry 1563599

Structure parameters

• Formula: C36 H51 N Ni P2
• Calculated formula: C36 H51 N Ni P2
• SMILES: [Ni]12([P](C(C)C)(c3c4N2c2c([P]1(C(C)C)C(C)C)cc(cc2C(c4cc(c3)C)(C)C)C)C(C)C)c1ccc(cc1)C
• 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: 17.416 ± 0.007 Å
• b: 19.138 ± 0.007 Å
• c: 10.025 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3341 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No