Information card for entry 4124741

Structure parameters

• Common name: NiInL
• Formula: C39 H60 In N4 Ni P3
• Calculated formula: C39 H60 In N4 Ni P3
• SMILES: c12ccccc1N1C[P](C(C)C)([Ni]34[In]561[N]2(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]4(C(C)C)C(C)C)C(C)C
• Title of publication: Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.
• Authors of publication: Cammarota, Ryan C.; Lu, Connie C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 39
• Pages of publication: 12486 - 12489
• a: 10.879 ± 0.002 Å
• b: 10.879 ± 0.002 Å
• c: 21.208 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2173.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No