Information card for entry 1550781

Structure parameters

• Formula: C42 H81 As2 Co K5 Mo12 N6 O74
• Calculated formula: C42 H36 As2 Co K5 Mo12 N6 O74
• 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: 11.6422 ± 0.0002 Å
• b: 12.1336 ± 0.0002 Å
• c: 17.7687 ± 0.0003 Å
• α: 76.661 ± 0.001°
• β: 89.632 ± 0.001°
• γ: 84.551 ± 0.001°
• Cell volume: 2430.98 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No