Information card for entry 7001340

Structure parameters

• Formula: C47 H34 N8 Ni O3
• Calculated formula: C47 H34 N8 Ni O3
• SMILES: [Ni]1234(N(C(=O)c5ccccc5)c5cccc6ccc([n]1c56)c1[n]2c2c([nH]1)cccc2)N(C(=O)c1ccccc1)c1cccc2ccc([n]3c12)c1[n]4c2c([nH]1)cccc2.OC
• Title of publication: Synthesis, characterization and ethylene oligomerization of nickel complexes bearing N-(2-(1H-benzo[d]imidazol-2-yl)quinolin-8-yl)benzamide derivatives
• Authors of publication: Wang, Kefeng; Shen, Miao; Sun, Wen-Hua
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4085 - 4095
• a: 16.456 ± 0.003 Å
• b: 13.234 ± 0.003 Å
• c: 19.459 ± 0.004 Å
• α: 90°
• β: 113.32 ± 0.03°
• γ: 90°
• Cell volume: 3891.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No