Information card for entry 1561476

Structure parameters

• Formula: C156 H297 N11 O106 P4 S0 V24
• Calculated formula: C124 H200 N4 O96 P4 V24
• Title of publication: How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.
• Authors of publication: Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 7361 - 7368
• a: 27.776 ± 0.003 Å
• b: 32.56 ± 0.003 Å
• c: 36.61 ± 0.003 Å
• α: 90°
• β: 105.89 ± 0.003°
• γ: 90°
• Cell volume: 31844 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No