Information card for entry 4115026

Structure parameters

• Common name: (dippe)Ni(4-cyanophenyl)(CN)
• Formula: C22 H36 N2 Ni P2
• Calculated formula: C22 H36 N2 Ni P2
• SMILES: [Ni]1([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)(C#N)c1ccc(cc1)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: 8.0746 ± 0.0004 Å
• b: 11.8545 ± 0.0006 Å
• c: 13.0056 ± 0.0006 Å
• α: 75.466 ± 0.001°
• β: 82.407 ± 0.001°
• γ: 89.484 ± 0.001°
• Cell volume: 1194.12 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No