Information card for entry 7040983

Structure parameters

• Formula: C53 H37 Br2 F5 N2 Ni
• Calculated formula: C53 H37 Br2 F5 N2 Ni
• SMILES: [Ni]1(Br)(Br)[N](=C2C(=[N]1c1c(C)cc(C)cc1C)c1c3c(cccc23)ccc1)c1c(cc(F)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(cc1)F
• Title of publication: Raising the N-aryl fluoride content in unsymmetrical diaryliminoacenaphthylenes as a route to highly active nickel(ii) catalysts in ethylene polymerization.
• Authors of publication: Wang, Xinxin; Fan, Linlin; Yuan, Yichun; Du, Shizhen; Sun, Yang; Solan, Gregory A.; Guo, Cun-Yue; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18313 - 18323
• a: 10.775 ± 0.002 Å
• b: 18.237 ± 0.004 Å
• c: 26.975 ± 0.005 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 5300.7 ± 1.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No