Information card for entry 7044028

Structure parameters

• Formula: C11 H25 Cu N3 O6
• Calculated formula: C11 H25 Cu N3 O6
• 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: 8.2712 ± 0.0006 Å
• b: 30.314 ± 0.002 Å
• c: 13.759 ± 0.003 Å
• α: 90°
• β: 105.934 ± 0.011°
• γ: 90°
• Cell volume: 3317.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No