Information card for entry 7240131

Structure parameters

• Formula: C124 H220 N8 O46 V12
• Calculated formula: C124 H220 N8 O46 V12
• Title of publication: The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials
• Authors of publication: Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 13.709 ± 0.002 Å
• b: 13.919 ± 0.002 Å
• c: 19.53 ± 0.003 Å
• α: 97.532 ± 0.002°
• β: 93.12 ± 0.003°
• γ: 99.117 ± 0.002°
• Cell volume: 3637 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No