Information card for entry 1548487

Structure parameters

• Formula: C90 H72 Br4 N4 Ni2 O2
• Calculated formula: C90 H72 Br4 N4 Ni2 O2
• SMILES: [Br]1[Ni]2(Br)([Br][Ni]31(Br)[O]=n1c(C=[N]3c3c(cc(cc3C(c3ccccc3)c3ccccc3)C)C(c3ccccc3)c3ccccc3)cccc1c1ccccc1)[O]=n1c(C=[N]2c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)cccc1c1ccccc1
• 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: 11.8392 ± 0.0009 Å
• b: 14.1257 ± 0.0012 Å
• c: 14.3685 ± 0.0013 Å
• α: 90.924 ± 0.001°
• β: 102.292 ± 0.002°
• γ: 113.08 ± 0.003°
• Cell volume: 2146.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2193
• Residual factor for significantly intense reflections: 0.1567
• Weighted residual factors for significantly intense reflections: 0.3638
• Weighted residual factors for all reflections included in the refinement: 0.4024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No