Information card for entry 1553408

Structure parameters

• Formula: C36 H40 Cl2 N4 Ni
• Calculated formula: C36 H40 Cl2 N4 Ni
• SMILES: c1ccc2c3[n]1[Ni]1([N](=C3C(C2)(C)C)c2c(cccc2C)C)([N](=C2c3c(ccc[n]13)CC2(C)C)c1c(cccc1C)C)(Cl)Cl
• Title of publication: Highly branched unsaturated polyethylenes achievable using strained imino-cyclopenta[b]pyridyl-nickel precatalysts
• Authors of publication: Zhang, Youfu; Huang, Chuanbing; Wang, Xinxin; Mahmood, Qaiser; Hao, Xiang; Hu, Xinquan; Guo, Cun-Yue; Solan, Gregory A.; Sun, Wen-Hua
• Journal of publication: Polymer Chemistry
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 995
• a: 9.0742 ± 0.0018 Å
• b: 14.496 ± 0.003 Å
• c: 12.391 ± 0.003 Å
• α: 90°
• β: 98.03 ± 0.03°
• γ: 90°
• Cell volume: 1613.9 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0373
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No