Information card for entry 1563595

Structure parameters

• Formula: C36 H51 N Ni P2
• Calculated formula: C36 H51 N Ni P2
• SMILES: [Ni]12([P](c3c4N2c2c(cc(cc2[P]1(C(C)C)C(C)C)C)C(c4cc(c3)C)(C)C)(C(C)C)C(C)C)c1ccccc1C
• 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: 10.849 ± 0.003 Å
• b: 16.888 ± 0.005 Å
• c: 18.019 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301.4 ± 1.7 ų
• Cell temperature: 120 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No