Information card for entry 7124587

Structure parameters

• Formula: C54 H40 N2
• Calculated formula: C54 H40 N2
• Title of publication: Synthesis of high molecular weight polyethylene using iminopyridyl nickel catalysts.
• Authors of publication: Dai, Shengyu; Sui, Xuelin; Chen, Changle
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 58
• Pages of publication: 9113 - 9116
• a: 11.0573 ± 0.0012 Å
• b: 25.485 ± 0.003 Å
• c: 28.816 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8120.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No