Information card for entry 4068877

Structure parameters

• Formula: C26 H28 Cl2 Fe N4
• Calculated formula: C26 H28 Cl2 Fe N4
• SMILES: [Fe]12(Cl)(Cl)[n]3c([nH]c4c3cccc4)c3[n]2c(C(=[N]1c1c(C(C)C)cccc1C(C)C)C)ccc3
• Title of publication: 2-(1H-2-Benzimidazolyl)-6-(1-(arylimino)ethyl)pyridyl Iron(II) and Cobalt(II) Dichlorides: Syntheses, Characterizations, and Catalytic Behaviors toward Ethylene Reactivity
• Authors of publication: Xiao, Liwei; Gao, Rong; Zhang, Min; Li, Yan; Cao, Xiaoping; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2225
• a: 8.9994 ± 0.0018 Å
• b: 15.305 ± 0.003 Å
• c: 18.958 ± 0.004 Å
• α: 90°
• β: 99.61 ± 0.03°
• γ: 90°
• Cell volume: 2574.6 ± 0.9 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 all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No