Information card for entry 4515797

Structure parameters

• Formula: C40 H28 F4 N12 Ni2
• Calculated formula: C40 H28 F4 N12 Ni2
• Title of publication: Bimetallic Nickel Complexes for Aniline C‒H Alkylations
• Authors of publication: Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 11657
• a: 9.5253 ± 0.0004 Å
• b: 16.5175 ± 0.0007 Å
• c: 22.4483 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3531.9 ± 0.3 ų
• Cell temperature: 99.97 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.353
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No