Information card for entry 1558686

Structure parameters

• Formula: C52 H52 N6 Ni O2
• Calculated formula: C52 H52 N6 Ni O2
• SMILES: [Ni]12(OC(=Nc3[n]2c(cn3c2ccccc2)c2ccccc2)C23CC4CC(C2)CC(C3)C4)OC(=Nc2[n]1c(cn2c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)C3
• 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: 11.1027 ± 0.0002 Å
• b: 12.8123 ± 0.0002 Å
• c: 16.5909 ± 0.0003 Å
• α: 68.334 ± 0.001°
• β: 89.593 ± 0.001°
• γ: 74.963 ± 0.001°
• Cell volume: 2107.87 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 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: 0.0424
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No