Information card for entry 7107484

Structure parameters

• Formula: C29 H44 Br2 N2 Ni
• Calculated formula: C29 H44 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[NH](c2c(cccc2C(C)C)C(C)C)C(C)(C)C(C)=[N]1c1c(cccc1C(C)C)C(C)C
• 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: 10.803 ± 0.002 Å
• b: 20.726 ± 0.005 Å
• c: 13.844 ± 0.003 Å
• α: 90°
• β: 101.466 ± 0.004°
• γ: 90°
• Cell volume: 3037.9 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No