Information card for entry 7032588

Structure parameters

• Formula: C32 H39 Cl2 Fe N3
• Calculated formula: C32 H39 Cl2 Fe N3
• SMILES: [Fe]12(Cl)(Cl)[N](c3c(CC)cccc3CC)=C(C)c3[n]1c1c(CCCCC1=[N]2c1c(cccc1CC)CC)cc3
• Title of publication: 2-(1-Aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridyl iron(ii) dichloride: synthesis, characterization, and the highly active and tunable active species in ethylene polymerization.
• Authors of publication: Huang, Fang; Xing, Qifeng; Liang, Tongling; Flisak, Zygmunt; Ye, Bin; Hu, Xinquan; Yang, Wenhong; Sun, Wen-Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16818 - 16829
• a: 38.289 ± 0.008 Å
• b: 34.676 ± 0.007 Å
• c: 18.386 ± 0.004 Å
• α: 90°
• β: 99.36 ± 0.03°
• γ: 90°
• Cell volume: 24086 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No