Information card for entry 1550783

Structure parameters

• Formula: C42 H86 Co Cs4 Mo12 N6 Na2 O78 Te2
• Calculated formula: C42 H36 Co Cs4 Mo12 N6 Na2 O78 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: 11.7267 ± 0.0012 Å
• b: 12.4654 ± 0.0013 Å
• c: 18.6945 ± 0.0019 Å
• α: 74.384 ± 0.004°
• β: 85.99 ± 0.004°
• γ: 84.238 ± 0.004°
• Cell volume: 2615.9 ± 0.5 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: 0.0418
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No