Information card for entry 7240336

Structure parameters

• Formula: C25 H22 Cu F18 N2 O6
• Calculated formula: C25 H22 Cu F18 N2 O6
• 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: 10.0639 ± 0.0011 Å
• b: 19.418 ± 0.002 Å
• c: 34.924 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6824.9 ± 1.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No