Information card for entry 4519193

Structure parameters

• Formula: C40 H70 Mo24 N8 O96 P2 Zn8
• Calculated formula: C40 H32 Mo24 N8 O96 P2 Zn8
• Title of publication: Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants
• Authors of publication: Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2021
• Journal volume: 9
• Journal issue: 46
• Pages of publication: 15683 - 15693
• a: 12.398 ± 0.003 Å
• b: 12.41 ± 0.003 Å
• c: 18.721 ± 0.004 Å
• α: 90°
• β: 109.145 ± 0.009°
• γ: 90°
• Cell volume: 2721.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No