Information card for entry 4515664

Structure parameters

• Formula: C17 H39 As Co K2 Mo6 N O39.5
• Calculated formula: C17 H15 As Co K2 Mo6 N O39.5
• 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: 12.0872 ± 0.0008 Å
• b: 12.5682 ± 0.0008 Å
• c: 17.2255 ± 0.0013 Å
• α: 76.7 ± 0.004°
• β: 74.058 ± 0.004°
• γ: 76.399 ± 0.004°
• Cell volume: 2407 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No