Information card for entry 7059978

Structure parameters

• Formula: C26 H37 Cl2 N3 Ni
• Calculated formula: C26 H37 Cl2 N3 Ni
• SMILES: [Ni]12(Cl)(Cl)[n]3c4C(=[N]1c1c(cccc1C(C)C)C(C)C)CCCc4ccc3C[N]2(CC)CC
• Title of publication: 2-(N,N-Diethylaminomethyl)-6,7-trihydroquinolinyl-8-ylideneamine-Ni(ii) chlorides: application in ethylene dimerization and trimerization
• Authors of publication: Li, Jiaxin; Ma, Yanping; Hu, Xinquan; Flisak, Zygmunt; Tongling, Liang; Sun, Wen-Hua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17047 - 17052
• a: 9.5112 ± 0.0002 Å
• b: 10.9618 ± 0.0003 Å
• c: 12.9408 ± 0.0002 Å
• α: 94.937 ± 0.002°
• β: 95.575 ± 0.001°
• γ: 92.089 ± 0.002°
• Cell volume: 1336.48 ± 0.05 ų
• Cell temperature: 170 ± 0.11 K
• Ambient diffraction temperature: 170 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No