Information card for entry 4130083

Structure parameters

• Formula: C32 H30 N6 Ni
• Calculated formula: C32 H30 N6 Ni
• SMILES: [Ni]123(n4c(c(cc4C)C)c4[n]1cccc4)(n1c(c(cc1C)C)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1
• 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: 10.695 ± 0.003 Å
• b: 15.081 ± 0.004 Å
• c: 33.05 ± 0.008 Å
• α: 90°
• β: 99.27 ± 0.003°
• γ: 90°
• Cell volume: 5261 ± 2 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: 0.0997
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No