Information card for entry 1552184

Structure parameters

• Formula: C78 H188 O52 Sn12
• Calculated formula: C78 H158 O46 Sn12
• Title of publication: Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation
• Authors of publication: Zhu, Yu; Zhang, Lei; Zhang, Jian
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 17.8261 ± 0.0015 Å
• b: 20.7264 ± 0.0008 Å
• c: 19.198 ± 0.0015 Å
• α: 90°
• β: 115.285 ± 0.01°
• γ: 90°
• Cell volume: 6413.5 ± 0.9 ų
• Cell temperature: 100.02 ± 0.13 K
• Ambient diffraction temperature: 100.02 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No