Information card for entry 4083695

Structure parameters

• Chemical name: [2-acetyl-6-(1-methyl-2-benzoimidazolyl)pyridine]dichloronickel
• Formula: C17 H21 Cl2 N3 Ni O3
• Calculated formula: C17 H21 Cl2 N3 Ni O3
• SMILES: [Ni]12(Cl)([OH]C)([n]3c(c4[n]1c(ccc4)C(=[O]2)C)n(c1c3cccc1)C)[OH]C.[Cl-]
• Title of publication: Synthesis, Characterization and Ethylene Oligomerization Studies of Nickel Complexes Bearing 2-Benzimidazolylpyridine Derivatives
• Authors of publication: Hao, Peng; Zhang, Shu; Sun, Wen-Hua; Shi, Qisong; Adewuyi, Sherrif; Lu, Xiaoming; Li, Peizhou
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2439
• a: 7.8096 ± 0.0004 Å
• b: 12.9994 ± 0.0008 Å
• c: 19.3219 ± 0.0011 Å
• α: 90°
• β: 93.425 ± 0.003°
• γ: 90°
• Cell volume: 1958.06 ± 0.19 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: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No