Information card for entry 4124740

Structure parameters

• Common name: NiGaL
• Formula: C39 H60 Ga N4 Ni P3
• Calculated formula: C39 H60 Ga N4 Ni P3
• SMILES: [Ga]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
• 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: 11.275 ± 0.002 Å
• b: 14.152 ± 0.003 Å
• c: 14.267 ± 0.003 Å
• α: 70.822 ± 0.002°
• β: 80.649 ± 0.002°
• γ: 82.759 ± 0.002°
• Cell volume: 2115.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No