Information card for entry 7134354

Structure parameters

• Formula: C72 H135 Cs4 N11 Nb2 O72 P8 S4 V14
• Calculated formula: C13.75 H17.25 Cs1.0625 N0.625 Nb0.5 O18.4375 P2 S V3.5
• 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: 26.0643 ± 0.0004 Å
• b: 31.9841 ± 0.0007 Å
• c: 16.5506 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13797.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.3388
• Weighted residual factors for all reflections included in the refinement: 0.3531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No