Information card for entry 1558684

Structure parameters

• Formula: C40 H44 N6 Ni O2
• Calculated formula: C40 H44 N6 Ni O2
• SMILES: O1[Ni]2([n]3ccn(c3N=C1C13CC4CC(CC(C1)C4)C3)c1ccccc1)[n]1ccn(c1N=C(C13CC4CC(C1)CC(C3)C4)O2)c1ccccc1
• Title of publication: Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate
• Authors of publication: Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 34
• Pages of publication: 5542 - 5547
• a: 6.3174 ± 0.0002 Å
• b: 10.7495 ± 0.0003 Å
• c: 12.7292 ± 0.0004 Å
• α: 74.886 ± 0.002°
• β: 79.406 ± 0.002°
• γ: 89.242 ± 0.002°
• Cell volume: 819.75 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.03 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No