Information card for entry 7106036

Structure parameters

• Formula: C228 H240 Cu4 N48 O40 S4
• Calculated formula: C228 H240 Cu4 N48 O40 S4
• Title of publication: Sulfate encapsulation in a metal-assisted capsule based on a mono-pyridylurea ligand
• Authors of publication: Zaiwen Yang; Biao Wu; Xiaojuan Huang; Yanyan Liu; Shaoguang Li; Yana Xia; Chuandong Jia; Xiao-Juan Yang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2880
• a: 38.231 ± 0.006 Å
• b: 38.231 ± 0.006 Å
• c: 13.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16992 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No