Information card for entry 1566798

Structure parameters

• Formula: C462 H719 N29 O236 P8 S0 V48
• Calculated formula: C373 H449 N8 O211 P8 V48
• Title of publication: Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid
• Authors of publication: Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 45.21 ± 0.002 Å
• b: 27.4006 ± 0.0014 Å
• c: 55.215 ± 0.004 Å
• α: 90°
• β: 113.919 ± 0.001°
• γ: 90°
• Cell volume: 62525 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.1445
• Weighted residual factors for significantly intense reflections: 0.4306
• Weighted residual factors for all reflections included in the refinement: 0.4952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No