Information card for entry 7040982

Structure parameters

• Formula: C58 H49 Br2 F5 N2 Ni O
• Calculated formula: C58 H49 Br2 F5 N2 Ni O
• SMILES: Br[Ni]1(Br)[N](c2c(cccc2CC)CC)=C2C(=[N]1c1c(C(c3ccc(F)cc3)c3ccc(F)cc3)cc(F)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)c1cccc3cccc2c13.O(CC)CC
• 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: 10.625 ± 0.002 Å
• b: 19.234 ± 0.004 Å
• c: 24.652 ± 0.005 Å
• α: 90°
• β: 92.87 ± 0.03°
• γ: 90°
• Cell volume: 5031.6 ± 1.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No