Information card for entry 7243739

Structure parameters

• Chemical name: BWCu
• Formula: C18 H48 B Cu3 K3 N24 O66 W12
• Calculated formula: C18 H18 B Cu3 K3 N24 O66 W12
• Title of publication: Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones
• Authors of publication: Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 8591 - 8603
• a: 35.1668 ± 0.0009 Å
• b: 35.1668 ± 0.0009 Å
• c: 20.227 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21663.5 ± 1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No