Information card for entry 4130078

Structure parameters

• Formula: C19 H23 N3 Ni
• Calculated formula: C19 H23 N3 Ni
• 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: 28.4649 ± 0.0017 Å
• b: 28.4649 ± 0.0017 Å
• c: 17.3837 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14085.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.3106
• Weighted residual factors for all reflections included in the refinement: 0.3314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No