Information card for entry 7223028

Structure parameters

• Formula: C55 H45 Br2 Cl N2 Ni
• Calculated formula: C55 H45 Br2 Cl N2 Ni
• SMILES: Br[Ni]1(Br)[N](=C2C(c3c4c2cccc4ccc3)=[N]1c1c(CC)cc(C)cc1CC)c1c(Cl)cc(cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• 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: 16.47 ± 0.003 Å
• b: 16.715 ± 0.003 Å
• c: 16.782 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4620 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No