Information card for entry 7250832

Structure parameters

• Formula: C44 H38 Br2 N2 Ni
• Calculated formula: C44 H38 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: 9.2626 ± 0.0002 Å
• b: 25.2521 ± 0.0004 Å
• c: 15.194 ± 0.0002 Å
• α: 90°
• β: 95.533 ± 0.002°
• γ: 90°
• Cell volume: 3537.32 ± 0.11 ų
• Cell temperature: 170 ± 0.4 K
• Ambient diffraction temperature: 170 ± 0.4 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: 0.0684
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No