Information card for entry 4515669

Structure parameters

• Formula: C21 H44 As Co0.5 K5 Mo6 O44.5
• Calculated formula: C21 H15 As Co0.5 K5 Mo6 O44.5
• 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: 12.6575 ± 0.0008 Å
• b: 12.671 ± 0.0007 Å
• c: 18.5916 ± 0.0009 Å
• α: 105.723 ± 0.003°
• β: 91.318 ± 0.003°
• γ: 106.19 ± 0.003°
• Cell volume: 2740.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1356
• 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