Information card for entry 4514464

Structure parameters

• Formula: C36 H45 Cl2 Cu4 N28 O50 P W12
• Calculated formula: C36 H24 Cl2 Cu4 N28 O50.564 P W12
• Title of publication: Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.
• Authors of publication: Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 41
• Pages of publication: 37908 - 37919
• a: 10.8516 ± 0.0002 Å
• b: 12.9946 ± 0.0003 Å
• c: 27.6264 ± 0.0007 Å
• α: 90°
• β: 99.212 ± 0.001°
• γ: 90°
• Cell volume: 3845.42 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No