Information card for entry 7107482

Structure parameters

• Formula: C17 H20 Br2 N2 Ni
• Calculated formula: C17 H20 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[NH](c2ccccc2)C(C)(C)C(C)=[N]1c1ccccc1
• Title of publication: Thermally Robust Amine-Imine Nickel Catalyst Precursor for Living Polymerization of Ethylene above Room Temperature
• Authors of publication: Haiyang Gao; Haibin Hu; Fangming Zhu; Qing Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3312
• a: 12.487 ± 0.004 Å
• b: 8.246 ± 0.002 Å
• c: 18.729 ± 0.006 Å
• α: 90°
• β: 101.359 ± 0.005°
• γ: 90°
• Cell volume: 1890.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No