Information card for entry 7240337

Structure parameters

• Formula: C29 H30 F18 N2 Ni O6
• Calculated formula: C29 H30 F18 N2 Ni 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: 105.18 ± 0.02 Å
• b: 14.433 ± 0.003 Å
• c: 20.46 ± 0.005 Å
• α: 90°
• β: 101.531 ± 0.011°
• γ: 90°
• Cell volume: 30433 ± 11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1581
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No