Information card for entry 7035660

Structure parameters

• Formula: C44 H56 Cl4 N4 Ni2
• Calculated formula: C44 H56 Cl4 N4 Ni2
• SMILES: c12c3C(CCCC1)=[N]([Ni]1([n]3ccc2)(Cl)[Cl][Ni]2([n]3cccc4c3C(CCCC4)=[N]2c2c(cccc2C(C)C)C(C)C)([Cl]1)Cl)c1c(cccc1C(C)C)C(C)C
• Title of publication: Ring-tension adjusted ethylene polymerization by aryliminocycloheptapyridyl nickel complexes.
• Authors of publication: Huang, Fang; Sun, Zelin; Du, Shizhen; Yue, Erlin; Ba, Junjun; Hu, Xinquan; Liang, Tongling; Galland, Griselda B.; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14281 - 14292
• a: 10.33 ± 0.002 Å
• b: 14.356 ± 0.003 Å
• c: 14.999 ± 0.003 Å
• α: 90°
• β: 104.47 ± 0.03°
• γ: 90°
• Cell volume: 2153.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No