Information card for entry 1548486

Structure parameters

• Formula: C79 H66 Br2 Cl2 N4 Ni O2
• Calculated formula: C79 H66 Br2 Cl2 N4 Ni O2
• SMILES: [Ni]12(Br)(Br)([N](=Cc3n(=[O]1)cccc3)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)[N](=Cc1n(=[O]2)cccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Ethylene Polymerization and Copolymerization Using Nickel 2-Iminopyridine-N-oxide Catalysts: Modulation of Polymer Molecular Weights and Molecular-Weight Distributions
• Authors of publication: Zou, Chen; Dai, Shengyu; Chen, Changle
• Journal of publication: Macromolecules
• Year of publication: 2017
• a: 16.581 ± 0.0009 Å
• b: 16.5963 ± 0.0016 Å
• c: 16.8376 ± 0.0012 Å
• α: 85.765 ± 0.002°
• β: 68.695 ± 0.001°
• γ: 66.246 ± 0.001°
• Cell volume: 3936.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No