Information card for entry 4517728

Structure parameters

• Formula: C48 H120 Ba2 Cd7 O141 Sb24
• Calculated formula: C48 H39 Ba1.99995 Cd7 O102 Sb24
• Title of publication: The Uptake of Hazardous Metal Ions into a High-nuclearity Cluster Based Compound with Structural Transformation and Proton Conduction.
• Authors of publication: Ma, Wen; Hu, Bing; Li, Ji-Long; Zhang, Zhi-Zhuan; Zeng, Xi; Jin, Jiance; Li, Zhong; Zheng, Shou-Tian; Feng, Mei-Ling; Huang, Xiao-Ying
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 24.7944 ± 0.0005 Å
• b: 24.7944 ± 0.0005 Å
• c: 32.4228 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17261.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No