Information card for entry 7044030

Structure parameters

• Formula: C11 H27 Cu N3 O7
• Calculated formula: C11 H27 Cu N3 O7
• 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: 8.64296 ± 0.00015 Å
• b: 8.32174 ± 0.00017 Å
• c: 24.604 ± 0.0005 Å
• α: 90°
• β: 90.6569 ± 0.0017°
• γ: 90°
• Cell volume: 1769.51 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No