Information card for entry 4115019

Structure parameters

• Common name: (dippe)Ni(eta-2-quinoline)
• Formula: C23 H39 N Ni P2
• Calculated formula: C23 H39 N Ni P2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)[CH]1C=Nc3c([CH]2=1)cccc3
• 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: 8.4904 ± 0.0004 Å
• b: 15.7476 ± 0.0007 Å
• c: 18.1259 ± 0.0009 Å
• α: 91.141 ± 0.001°
• β: 96.429 ± 0.001°
• γ: 94.768 ± 0.001°
• Cell volume: 2398.9 ± 0.2 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: 0.0741
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No