Information card for entry 4115022

Structure parameters

• Common name: (dippe)Ni(eta2-3-cyanoquinoline)
• Formula: C24 H38 N2 Ni P2
• Calculated formula: C24 H38 N2 Ni P2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)[C]1(C=Nc3c([CH]2=1)cccc3)C#N
• Title of publication: Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)
• Authors of publication: Juventino J. Garcia; Nicole M. Brunkan; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9547 - 9555
• a: 17.096 ± 0.003 Å
• b: 17.107 ± 0.002 Å
• c: 17.333 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5069.2 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No