Information card for entry 7127393

Structure parameters

• Formula: Cs4 H74 K8 Na5 Nb23 O115 V6
• Calculated formula: Cs3 K6.5 Na Nb23 O91.5 V6
• Title of publication: Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.
• Authors of publication: Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 90
• Pages of publication: 13967 - 13970
• a: 15.9678 ± 0.0008 Å
• b: 23.5105 ± 0.0013 Å
• c: 16.2976 ± 0.0009 Å
• α: 90°
• β: 104.33 ± 0.0016°
• γ: 90°
• Cell volume: 5927.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No