Information card for entry 7004466

Structure parameters

• Common name: (2-(2-benzooxazolyl)-6-methylpyridine)dichloronickel dimer
• Chemical name: [2-(2-benzooxazolyl)-6-methylpyridine]dichloronickel dimer
• Formula: C26 H20 Cl4 N4 Ni2 O2
• Calculated formula: C26 H20 Cl4 N4 Ni2 O2
• SMILES: c12oc3c4cccc([n]4[Ni]4([n]3c2cccc1)(Cl)[Cl][Ni]1([n]2c(c3[n]1c1ccccc1o3)cccc2C)(Cl)[Cl]4)C
• Title of publication: Synthesis of benzoxazolylpyridine nickel complexes and their efficient dimerization of ethylene to α-butene
• Authors of publication: Gao, Rong; Xiao, Liwei; Hao, Xiang; Sun, Wen-Hua; Wang, Fosong
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5645 - 5651
• a: 11.06 ± 0.002 Å
• b: 14.858 ± 0.003 Å
• c: 16.04 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2635.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No