Information card for entry 4509428

Structure parameters

• Formula: C54 H94 Cl4 Cu N4
• Calculated formula: C54 H94 Cl4 Cu N4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].n1(CCCCCCCCCC)c[n+](CCCCCCCCCC)c2c1cccc2.n1(CCCCCCCCCC)c[n+](CCCCCCCCCC)c2c1cccc2
• Title of publication: New Ionic Liquids ofN,N′-Dialkylbenzimidazolium Salt Comprising Copper(II) Ions
• Authors of publication: Wang, KeFei; Jian, FangFang; Zhuang, RuiRui; Xiao, HaiLian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3934
• a: 8.8695 ± 0.0018 Å
• b: 18.163 ± 0.004 Å
• c: 18.328 ± 0.004 Å
• α: 87.08 ± 0.03°
• β: 82.9 ± 0.03°
• γ: 79.24 ± 0.03°
• Cell volume: 2877.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No