Information card for entry 7223027

Structure parameters

• Formula: C55 H45 Br2 Cl3 N2 Ni
• Calculated formula: C55 H45 Br2 Cl3 N2 Ni
• SMILES: Br[Ni]1(Br)[N](c2c(cccc2CC)CC)=C2C(c3cccc4c3c2ccc4)=[N]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl
• Title of publication: Enhancing thermo-stability to ethylene polymerization: Synthesis, characterization and the catalytic behavior of 1-(2,4-dibenzhydryl- 6-chlorophenylimino)-2-aryliminoacenaphthylnickel halides
• Authors of publication: Fan, Linlin; Yue, Erlin; Du, Shizhen; Guo, Cunyue; Hao, Xiang; Sun, Wen Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.059 ± 0.0013 Å
• b: 15.834 ± 0.0014 Å
• c: 26.756 ± 0.0015 Å
• α: 88.59 ± 0.002°
• β: 83.23 ± 0.003°
• γ: 72.86 ± 0.002°
• Cell volume: 4847.6 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No