Information card for entry 7237243

Structure parameters

• Formula: C36 H50 Mn9 O44 P4
• Calculated formula: C36 H50 Mn9 O44 P4
• Title of publication: Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium‒sulfur batteries
• Authors of publication: Liu, Xiao-Fei; Guo, Xiao-Qing; Wang, Rui; Liu, Qing-Chao; Li, Zhong-Jun; Zang, Shuang-Quan; Mak, Thomas C. W.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 2838
• a: 22.5987 ± 0.0002 Å
• b: 22.5987 ± 0.0002 Å
• c: 22.5987 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11541.2 ± 0.18 ų
• Cell temperature: 99.97 ± 0.13 K
• Ambient diffraction temperature: 99.97 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No