Information card for entry 7250831

Structure parameters

• Formula: C46 H42 Br2 N2 Ni
• Calculated formula: C46 H42 Br2 N2 Ni
• Title of publication: High molecular weight polyethylene via the spatial proximity of benzosuberyl in iminopyridine nickel catalysts
• Authors of publication: Khalid, Areej; Mahmood, Qaiser; Razzaq, Ayesha; Ma, Yanping; Ren, Geng; Wang, Yizhou; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 31597 - 31608
• a: 9.3737 ± 0.0001 Å
• b: 25.5882 ± 0.0003 Å
• c: 15.621 ± 0.0001 Å
• α: 90°
• β: 92.459 ± 0.001°
• γ: 90°
• Cell volume: 3743.34 ± 0.06 ų
• Cell temperature: 170.2 ± 0.5 K
• Ambient diffraction temperature: 170.2 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No