Information card for entry 7016462

Structure parameters

• Formula: C36 H44 Cl4 N4 Ni2 O2
• Calculated formula: C36 H44 Cl4 N4 Ni2 O2
• SMILES: c1cc2c3C(CCC2)=[N]([Ni]2([n]3c1)(Cl)([OH]C)[Cl][Ni]1([n]3cccc4c3C(CCC4)=[N]1c1c(cccc1C)C)([OH]C)(Cl)[Cl]2)c1c(cccc1C)C
• Title of publication: N-(5,6,7-Trihydroquinolin-8-ylidene)arylaminonickel dichlorides as highly active single-site pro-catalysts in ethylene polymerization.
• Authors of publication: Yu, Jiangang; Zeng, Yanning; Huang, Wei; Hao, Xiang; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8436 - 8443
• a: 11.372 ± 0.002 Å
• b: 9.794 ± 0.002 Å
• c: 16.445 ± 0.003 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 1825.1 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No