Information card for entry 1545692

Structure parameters

• Formula: C69 H58 Br2 N2 Ni
• Calculated formula: C69 H58 Br2 N2 Ni
• SMILES: [Ni]1(Br)(Br)[N](=C2C(=[N]1c1c(C(C)C)cccc1C(C)C)c1c3c2cccc3ccc1)c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: Elastomeric polyethylenes accessible via ethylene homo-polymerization using an unsymmetrical α-diimino-nickel catalyst
• Authors of publication: Wang, Xinxin; Fan, Linlin; Ma, Yanping; Guo, Cunyue; Solan, Gregory; Sun, Yang; Sun, Wen Hua
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 15.579 ± 0.003 Å
• b: 20.196 ± 0.004 Å
• c: 21.046 ± 0.004 Å
• α: 90°
• β: 94.22 ± 0.03°
• γ: 90°
• Cell volume: 6604 ± 2 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No