Information card for entry 7026494

Structure parameters

• Formula: C48 H114 Cu8 N32 O17
• Calculated formula: C48 H114 Cu8 N32 O17
• Title of publication: Self-assembled dicopper(II) diethanolaminate cores for mild aerobic and peroxidative oxidation of alcohols.
• Authors of publication: Figiel, Paweł J; Kirillov, Alexander M.; Guedes da Silva, M Fátima C; Lasri, Jamal; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9879 - 9888
• a: 17.7735 ± 0.001 Å
• b: 19.9819 ± 0.0011 Å
• c: 21.8189 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7748.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No