Information card for entry 7108623

Structure parameters

• Formula: C108 H314 Cu18 N30 O124 S20
• Calculated formula: C108 H314 Cu18 N30 O124 S20
• Title of publication: A six-bladed impeller-like Cu18 nanocluster with S6 symmetry constructed from simple inorganic linkers
• Authors of publication: Zilu Zilu; Yifei Wang; Long Liu; Zhong Zhang; Fupei Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11689
• a: 28.0037 ± 0.0001 Å
• b: 28.0037 ± 0.0001 Å
• c: 28.0037 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21960.7 ± 0.14 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No