Information card for entry 4127841

Structure parameters

• Formula: C26 H24 N2 Ni O
• Calculated formula: C26 H24 N2 Ni O
• SMILES: [Ni]12([n]3ccccc3c3[n]1cccc3)c1ccccc1c1ccccc21.C1CCCO1
• Title of publication: Aryl-Fluoride Bond-Forming Reductive Elimination from Nickel(IV) Centers.
• Authors of publication: Meucci, Elizabeth A.; Ariafard, Alireza; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13261 - 13267
• a: 9.2604 ± 0.0005 Å
• b: 9.8874 ± 0.0007 Å
• c: 22.7259 ± 0.0012 Å
• α: 83.059 ± 0.005°
• β: 84.064 ± 0.004°
• γ: 89.979 ± 0.005°
• Cell volume: 2054.3 ± 0.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No