Information card for entry 4083639

Structure parameters

• Chemical name: (E)-2,6-dichloro-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine
• Formula: C21 H16 Cl2 N4 O0
• Calculated formula: C21 H16 Cl2 N4
• SMILES: Clc1c(/N=C(c2nc(c3n(c4c(n3)cccc4)C)ccc2)\C)c(Cl)ccc1
• 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: 17.9085 ± 0.0005 Å
• b: 8.3223 ± 0.0002 Å
• c: 25.3872 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3783.71 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No