Information card for entry 4081087

Structure parameters

• Formula: C34 H24 Br2 N2 Ni
• Calculated formula: C34 H24 Br2 N2 Ni
• SMILES: c12c([N]3=C4C(=[N]([Ni]3(Br)Br)c3c5ccccc5ccc3C)c3c5c4cccc5ccc3)c(C)ccc2cccc1
• Title of publication: Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature
• Authors of publication: Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3960
• a: 9.646 ± 0.004 Å
• b: 11.889 ± 0.005 Å
• c: 14.387 ± 0.006 Å
• α: 90°
• β: 97.964 ± 0.004°
• γ: 90°
• Cell volume: 1634 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No