Information card for entry 7035659

Structure parameters

• Formula: C36 H40 Cl4 N4 Ni2
• Calculated formula: C36 H40 Cl4 N4 Ni2
• SMILES: [Ni]12(Cl)([Cl][Ni]3(Cl)([Cl]1)[N](c1c(C)cccc1C)=C1c4[n]3cccc4CCCC1)[n]1c3c(ccc1)CCCCC3=[N]2c1c(C)cccc1C
• 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: 15.376 ± 0.003 Å
• b: 10.184 ± 0.002 Å
• c: 22.865 ± 0.005 Å
• α: 90°
• β: 102.27 ± 0.03°
• γ: 90°
• Cell volume: 3498.6 ± 1.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No