Information card for entry 1564905

Structure parameters

• Formula: C31 H24 Br N Ni0.5
• Calculated formula: C31 H24 Br N Ni0.5
• Title of publication: Propylene homopolymerization and copolymerization with ethylene by acenaphthene-based α-diimine nickel complexes to access EPR-like elastomers
• Authors of publication: Wang, Beibei; Liu, Heng; Zhang, Chunyu; Tang, Tao; Zhang, Xuequan
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 6307 - 6318
• a: 29.143 ± 0.004 Å
• b: 12.407 ± 0.002 Å
• c: 17.891 ± 0.003 Å
• α: 90°
• β: 119.38 ± 0.004°
• γ: 90°
• Cell volume: 5637 ± 1.5 ų
• Cell temperature: 207 ± 2 K
• Ambient diffraction temperature: 207 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No