Information card for entry 1563602

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(C)c3)(C)C)(C(C)C)C(C)C)Cc1ccccc1
• 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: 15.116 ± 0.003 Å
• b: 24.653 ± 0.005 Å
• c: 18.153 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6765 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No