Information card for entry 4083641

Structure parameters

• Chemical name: {(E)-2,6-dichloro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}chloroiron
• Formula: C21 H16 Cl4 Fe N4 O0
• Calculated formula: C21 H16 Cl4 Fe N4
• SMILES: [Fe]12(Cl)(Cl)[n]3c(c4n(c5c([n]24)cccc5)C)cccc3C(=[N]1c1c(Cl)cccc1Cl)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: 10.221 ± 0.0003 Å
• b: 15.1437 ± 0.0004 Å
• c: 14.1708 ± 0.0004 Å
• α: 90°
• β: 97.857 ± 0.002°
• γ: 90°
• Cell volume: 2172.82 ± 0.11 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: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No