Information card for entry 1553407

Structure parameters

• Formula: C42 H54 Cl4 N4 Ni2 O2
• Calculated formula: C42 H54 Cl4 N4 Ni2 O2
• SMILES: c1ccc2c3C(C(C2)(C)C)=[N]([Ni]2([n]13)([OH]C)([Cl][Ni]1([N](=C3c4c(ccc[n]14)CC3(C)C)c1c(cccc1CC)CC)([OH]C)([Cl]2)Cl)Cl)c1c(CC)cccc1CC
• 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: 9.7278 ± 0.0019 Å
• b: 10.55 ± 0.002 Å
• c: 11.522 ± 0.002 Å
• α: 91.22 ± 0.03°
• β: 109.68 ± 0.03°
• γ: 108.69 ± 0.03°
• Cell volume: 1043.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No