Information card for entry 4515667

Structure parameters

• Formula: C17 H39 As K2 Mn Mo6 N O40
• Calculated formula: C17 H17 As K2 Mn Mo6 N O40
• Title of publication: Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands
• Authors of publication: Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6062
• a: 12.2865 ± 0.0007 Å
• b: 12.6065 ± 0.0007 Å
• c: 17.2145 ± 0.0011 Å
• α: 76.319 ± 0.003°
• β: 73.933 ± 0.003°
• γ: 76.064 ± 0.003°
• Cell volume: 2445.2 ± 0.3 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: 0.0398
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No