Information card for entry 4085187

Structure parameters

• Formula: C112 H88 Cl4 F8 N4 Ni2
• Calculated formula: C112 H88 Cl4 F8 N4 Ni2
• SMILES: c1ccc2c3c1cccc3C1C2=[N](c2c(cc(cc2CC)C)CC)[Ni]2([N]=1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C)C(c1ccc(F)cc1)c1ccc(F)cc1)([Cl][Ni]1([N](=C3C(=[N]1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C)C(c1ccc(F)cc1)c1ccc(F)cc1)c1c4c3cccc4ccc1)c1c(cc(cc1CC)C)CC)(Cl)[Cl]2)Cl
• Title of publication: Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives
• Authors of publication: Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 582
• a: 13.039 ± 0.003 Å
• b: 18.46 ± 0.004 Å
• c: 21.236 ± 0.004 Å
• α: 90°
• β: 93.02 ± 0.03°
• γ: 90°
• Cell volume: 5104.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No