Information card for entry 7014955

Structure parameters

• Formula: C20 H20 Cl2 N3 Ni O2
• Calculated formula: C20 H20 Cl2 N3 Ni O2
• SMILES: [Ni]12(Cl)(Cl)([n]3c(c4[n]2c2c(n4C)cccc2)ccc2c3c([O]1CC)ccc2)OC
• Title of publication: Synthesis, characterization and ethylene oligomerization behavior of 2-benzoimidazol-8-ethoxyquinolylnickel dihalides
• Authors of publication: Liu, Hao; Zhang, Liping; Chen, Langqiu; Redshaw, Carl; Li, Yan; Sun, Wen-Hua
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2614
• a: 9.6203 ± 0.0019 Å
• b: 10.122 ± 0.002 Å
• c: 11.824 ± 0.002 Å
• α: 79.28 ± 0.03°
• β: 73.28 ± 0.03°
• γ: 64.71 ± 0.03°
• Cell volume: 994.4 ± 0.4 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: 0.0603
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No