Information card for entry 7134355

Structure parameters

• Formula: C80 H142 N12 Nb2 O69 P8 S2 V14
• Calculated formula: C68 H95 N7 Nb2 O67 P8 S2 V14
• Title of publication: An open hollow polyoxovanadate cage based on {Nb(V5)} pentagons with size-selective encapsulation properties
• Authors of publication: Fang, Renbo; Zhang, Di; Dong, Jing; Feng, Yeqin; Liu, Chengpeng; Yao, Liaoyuan; Chi, Yingnan; Hu, Changwen
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 33
• Pages of publication: 6182 - 6185
• a: 18.1749 ± 0.0003 Å
• b: 25.9752 ± 0.0004 Å
• c: 29.0297 ± 0.0004 Å
• α: 90°
• β: 90.119 ± 0.001°
• γ: 90°
• Cell volume: 13704.8 ± 0.4 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No