Information card for entry 4124743

Structure parameters

• Common name: N2NiInL
• Formula: C46 H68 In N6 Ni P3
• Calculated formula: C46 H68 In N6 Ni P3
• SMILES: [In]1234[Ni]56([P](CN3c3c([N]2(c2c(N1C[P]5(C(C)C)C(C)C)cccc2)c1c(N4C[P]6(C(C)C)C(C)C)cccc1)cccc3)(C(C)C)C(C)C)[N]#N.c1ccc(C)cc1
• 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: 14.8145 ± 0.0003 Å
• b: 14.4294 ± 0.0003 Å
• c: 22.8207 ± 0.0004 Å
• α: 90°
• β: 95.67 ± 0.001°
• γ: 90°
• Cell volume: 4854.38 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No