Information card for entry 7131145

Structure parameters

• Formula: C40 H78 Cl Li3 N2 O58 P W12
• Calculated formula: C40 H78 Cl Li3 N2 O58 P W12
• Title of publication: Keggin-type polyoxometalate-based crown ether complex for lithium-sulfur batteries.
• Authors of publication: Yang, Guang; Wu, Yuchao; Lv, Zengxiang; Jiang, Xinyuan; Shi, Jianhang; Zhang, Yuzhen; Chen, Ming; Ni, Lubin; Diao, Guowang; Wei, Yongge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 6
• Pages of publication: 788 - 791
• a: 25.536 ± 0.003 Å
• b: 13.4053 ± 0.0014 Å
• c: 20.948 ± 0.002 Å
• α: 90°
• β: 140.504 ± 0.002°
• γ: 90°
• Cell volume: 4560.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No