Information card for entry 4515665

Structure parameters

• Formula: C17 H44 As K2 Mo6 N Ni O42
• Calculated formula: C17 H15 As K2 Mo6 N Ni O42
• 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: 11.9612 ± 0.0004 Å
• b: 12.5318 ± 0.0003 Å
• c: 17.1943 ± 0.0004 Å
• α: 76.499 ± 0.001°
• β: 74.053 ± 0.002°
• γ: 76.535 ± 0.002°
• Cell volume: 2370.12 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No