Information card for entry 1550784

Structure parameters

• Formula: C42 H75 Cs4 K Mo12 N6 O72 Te2 Zn
• Calculated formula: C42 H36 Cs4 K Mo12 N6 O72 Te2 Zn
• 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: 11.6855 ± 0.0004 Å
• b: 12.386 ± 0.0006 Å
• c: 18.6191 ± 0.0008 Å
• α: 74.699 ± 0.003°
• β: 85.651 ± 0.003°
• γ: 83.954 ± 0.003°
• Cell volume: 2581.64 ± 0.19 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No