Information card for entry 7240129

Structure parameters

• Formula: C47 H89 N3 O13.5 V3
• Calculated formula: C47 H89 N3 O13.5 V3
• 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: 10.1207 ± 0.0004 Å
• b: 10.7427 ± 0.0005 Å
• c: 27.9069 ± 0.0012 Å
• α: 99.871 ± 0.004°
• β: 90.774 ± 0.004°
• γ: 117.159 ± 0.005°
• Cell volume: 2645 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0768
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No