Information card for entry 7704599

Structure parameters

• Formula: Al13 H42 Mo10 O89 P V2
• Calculated formula: Al13 H42 Mo10 O89 P V2
• Title of publication: A dual-function all-inorganic intercluster salt comprising the polycation ε-[Al₁₃O₄(OH)₂₄(H₂O)₁₂]⁷⁺ and polyanion α-[PMo₁₀V₂O₄₀]^5- for detoxifying sulfur mustard and soman.
• Authors of publication: Yu, Jialin; Gao, Qi; Zhang, Lijuan; Zhou, Yunshan; Zhong, Yuxu; Yin, Jianbo; Zhou, Yuanyuan; Tao, Fangsheng; Wang, Yong'an
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8122 - 8135
• a: 12.766 ± 0.003 Å
• b: 25.504 ± 0.005 Å
• c: 14.908 ± 0.003 Å
• α: 90°
• β: 105 ± 0.03°
• γ: 90°
• Cell volume: 4688.4 ± 1.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163.15 K
• Number of distinct elements: 6
• 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: 0.1155
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.2712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No