Information card for entry 1550791

Structure parameters

• Formula: C42 H70 Cs4 K2 Mo12 N6 Ni O70 Te2
• Calculated formula: C42 H36 Cs4 K2 Mo12 N6 Ni O70 Te2
• Title of publication: Versatile catalysts constructed from hybrid polyoxomolybdates for simultaneously detoxifying sulfur mustard and organophosphate simulants
• Authors of publication: Hou, Yujiao; An, Haiyan; Chang, Shenzhen; Zhang, Jie
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 11.686 ± 0.009 Å
• b: 12.336 ± 0.01 Å
• c: 18.569 ± 0.015 Å
• α: 75.76 ± 0.014°
• β: 86.017 ± 0.013°
• γ: 84.106 ± 0.012°
• Cell volume: 2578 ± 4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No