Information card for entry 4519192

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: 12.4443 ± 0.001 Å
• b: 12.4258 ± 0.0011 Å
• c: 18.7974 ± 0.0017 Å
• α: 90°
• β: 108.271 ± 0.003°
• γ: 90°
• Cell volume: 2760.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No