Information card for entry 7123560

Structure parameters

• Formula: C60 H110 Ba13 Cl34 N10 O70 Sb36
• Calculated formula: Ba13 Cl34 O54 Sb36
• Title of publication: [Ba13Sb36Cl34O54]8-: High-nuclearity cluster for the assembly of nanocluster-based compounds
• Authors of publication: Wu, Zhao-Feng; Hu, Bing; Fu, Zhi-hua; Wang, Hao; Xu, Gang; Gong, Liaokuo; Zou, Guo-Dong; Huang, Xiao-ying; Li, Jing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.1283 ± 0.001 Å
• b: 23.1283 ± 0.001 Å
• c: 30.459 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14110.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No