Information card for entry 4115020

Structure parameters

• Common name: (dippe)Ni(eta-2acridine)
• Formula: C27 H41 N Ni P2
• Calculated formula: C27 H41 N Ni P2
• SMILES: [Ni]123([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)[CH]1c4nc5c(cc4C=[CH]3[CH]2=1)cccc5
• 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: 8.8371 ± 0.0012 Å
• b: 28.489 ± 0.005 Å
• c: 10.6359 ± 0.0019 Å
• α: 90°
• β: 100.917 ± 0.016°
• γ: 90°
• Cell volume: 2629.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No