Information card for entry 7044029

Structure parameters

• Formula: C12 H23 Cu F3 N2 O5 S
• Calculated formula: C12 H23 Cu F3 N2 O5 S
• Title of publication: The impact of ionic liquids on the coordination of anions with solvatochromic copper complexes
• Authors of publication: Kuzmina, Olga; Hassan, Hasyareeda; Patel, Laura; Ashworth, Claire; Bakis, Eduards; White, Andrew J. P.; Hunt, Patricia; Welton, Tom
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.88 ± 0.0014 Å
• b: 13.92 ± 0.002 Å
• c: 14.969 ± 0.003 Å
• α: 93.461 ± 0.015°
• β: 98.617 ± 0.015°
• γ: 91.736 ± 0.013°
• Cell volume: 1824.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No