Information card for entry 7004467

Structure parameters

• Common name: (2-(5-methyl-2-benzo(d)oxazole)-6-methylpyridin)dichloronickel
• Chemical name: [2-(5-methyl-2-benzo[d]oxazole)-6-methylpyridin]dichloronickel
• Formula: C16 H20 Cl2 N2 Ni O3
• Calculated formula: C16 H20 Cl2 N2 Ni O3
• SMILES: [Ni]1(Cl)(Cl)([n]2c(oc3c2cc(cc3)C)c2[n]1c(ccc2)C)([OH]C)[OH]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: 9.988 ± 0.002 Å
• b: 10.365 ± 0.002 Å
• c: 10.77 ± 0.002 Å
• α: 83.24 ± 0.03°
• β: 64.24 ± 0.03°
• γ: 66.1 ± 0.03°
• Cell volume: 915.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No