Information card for entry 4109935

Structure parameters

• Formula: C20 H26 Br2 N2 Ni
• Calculated formula: C20 H26 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[NH]([C@@H]2CCCC[C@H]2[NH]1Cc1ccccc1)Cc1ccccc1
• Title of publication: Scope and Mechanism of Enantioselective Michael Additions of 1,3-Dicarbonyl Compounds to Nitroalkenes Catalyzed by Nickel(II)-Diamine Complexes
• Authors of publication: David A. Evans; Shizue Mito; Daniel Seidel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11583 - 11592
• a: 15.946 ± 0.006 Å
• b: 27.927 ± 0.011 Å
• c: 9.417 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4194 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No