Information card for entry 4124742

Structure parameters

• Common name: H2NiInL
• Formula: C39 H62 In N4 Ni P3
• Calculated formula: C39 H62 In N4 Ni P3
• SMILES: [In]1234[Ni]567([H][H]7)[P](C(C)C)(CN3c3c([N]4(c4c(N1C[P]5(C(C)C)C(C)C)cccc4)c1c(N2C[P]6(C(C)C)C(C)C)cccc1)cccc3)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: 12.2182 ± 0.0004 Å
• b: 14.558 ± 0.0005 Å
• c: 22.5759 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4015.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No