Information card for entry 4134356

Structure parameters

• Common name: 18083-Ni(LiL)3
• Formula: C39 H63 Li3 N3 Ni P3
• Calculated formula: C39 H63 Li3 N3 Ni P3
• SMILES: c1ccccc1[N]1(C[P](C(C)C)(C(C)C)[Ni]([P](C[N]2([Li]1)c1ccccc1)(C(C)C)C(C)C)[P](C[N]1([Li]2)c3ccccc3)(C(C)C)C(C)C)[Li]1
• Title of publication: Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.
• Authors of publication: Ramirez, Bianca L.; Lu, Connie C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.807 ± 0.005 Å
• b: 13.807 ± 0.005 Å
• c: 25.285 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4174 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No