Information card for entry 7127392

Structure parameters

• Formula: Cs4 H62 K7 Na5 Nb23 O108 V5
• Calculated formula: Cs0.25 K7 Na3.5 Nb23 O107.25 V5
• 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: 14.9822 ± 0.0011 Å
• b: 25.2721 ± 0.0018 Å
• c: 31.619 ± 0.002 Å
• α: 90°
• β: 93.655 ± 0.002°
• γ: 90°
• Cell volume: 11947.6 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No