Information card for entry 7240335

Structure parameters

• Formula: C29 H30 Cu F18 N2 O6
• Calculated formula: C29 H30 Cu F18 N2 O6
• SMILES: [Cu]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F.n1(c[n+](cc1)CCCCCCCCCC)C
• Title of publication: Structural and electronic properties of Cu^II, Co^II, and Ni^II-containing chelate-based ionic liquids.
• Authors of publication: Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 11417 - 11430
• a: 20.337 ± 0.003 Å
• b: 10.3082 ± 0.0006 Å
• c: 19.214 ± 0.002 Å
• α: 90°
• β: 94.041 ± 0.011°
• γ: 90°
• Cell volume: 4018 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1739
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2499
• Weighted residual factors for all reflections included in the refinement: 0.3279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No