Information card for entry 1550782

Structure parameters

• Formula: C42 H83 As2 K5 Mo12 N6 Ni O75
• Calculated formula: C42 H36 As2 K5 Mo12 N6 Ni O75
• 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: 11.6585 ± 0.0005 Å
• b: 12.1103 ± 0.0005 Å
• c: 17.742 ± 0.0007 Å
• α: 76.859 ± 0.002°
• β: 89.702 ± 0.003°
• γ: 84.663 ± 0.003°
• Cell volume: 2428.46 ± 0.18 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: 0.0584
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No