Information card for entry 4130082

Structure parameters

• Formula: C34 H36 N4 Ni
• Calculated formula: C34 H36 N4 Ni
• SMILES: [Ni]12(n3c(c(cc3C)C)c3[n]1cccc3)([n]1c3c(ccc1)ccc1c3[n]2ccc1)c1ccccc1.CCCCC
• Title of publication: Bimetallic C-C Bond-Forming Reductive Elimination from Nickel.
• Authors of publication: Xu, Hongwei; Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Zhang, Yingkai; Diao, Tianning
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4779 - 4786
• a: 12.3392 ± 0.0014 Å
• b: 15.9041 ± 0.0018 Å
• c: 14.8784 ± 0.0017 Å
• α: 90°
• β: 103.314 ± 0.0016°
• γ: 90°
• Cell volume: 2841.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No