Information card for entry 7130834

Structure parameters

• Formula: C84 H342 Co12 Mo80 N24 O489 P36 Pb4
• Calculated formula: C84 H84 Co12 Mo80 N24 O360 P36 Pb4
• Title of publication: Self-assembly of a novel multicomponent polyoxometalate-based tetrahedral supercluster with high catalytic activity for thioether oxidation
• Authors of publication: Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 30.9076 ± 0.0013 Å
• b: 57.925 ± 0.002 Å
• c: 32.2149 ± 0.0016 Å
• α: 90°
• β: 109.355 ± 0.002°
• γ: 90°
• Cell volume: 54415 ± 4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No