Information card for entry 7047326

Structure parameters

• Formula: C156 H252 N20 O108 S4 V24
• Calculated formula: C132 H156 N12 O100 S4 V24
• Title of publication: Functionalized polyoxometalate-based metal-organic cuboctahedra for selective adsorption toward cationic dyes in aqueous solution.
• Authors of publication: Gong, Ya-Ru; Chen, Wei-Chao; Zhao, Liang; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 12979 - 12983
• a: 27.216 ± 0.002 Å
• b: 27.216 ± 0.002 Å
• c: 27.216 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20159 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.05 K
• Number of distinct elements: 6
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.2099
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.3285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No