Information card for entry 4083635

Structure parameters

• Chemical name: [2-(1-methyl-2-benzoimidazole)-6-methylpyridine]dichloroiron
• Formula: C17 H20 Cl2 Fe N4 O
• Calculated formula: C17 H20 Cl2 Fe N4 O
• SMILES: [Fe]1(Cl)(Cl)([n]2c3c(n(c2c2[n]1c(C)ccc2)C)cccc3)[O]=CN(C)C
• Title of publication: Iron(II) and Cobalt(II) 2-(Benzimidazolyl)-6-(1-(arylimino)ethyl)pyridyl Complexes as Catalysts for Ethylene Oligomerization and Polymerization
• Authors of publication: Sun, Wen-Hua; Hao, Peng; Zhang, Shu; Shi, Qisong; Zuo, Weiwei; Tang, Xiubo; Lu, Xiaoming
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2720
• a: 7.8858 ± 0.0002 Å
• b: 16.8075 ± 0.0004 Å
• c: 14.1633 ± 0.0004 Å
• α: 90°
• β: 94.291 ± 0.001°
• γ: 90°
• Cell volume: 1871.95 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0391
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No