Information card for entry 4133994

Structure parameters

• Formula: C260 H320 B6 F24 N24 O12 Pd12 S12
• Calculated formula: C260 H320 B6 F24 N24 O12 Pd12 S12
• Title of publication: Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units.
• Authors of publication: Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 18.852 ± 0.003 Å
• b: 31.236 ± 0.004 Å
• c: 25.397 ± 0.004 Å
• α: 90°
• β: 107.462 ± 0.005°
• γ: 90°
• Cell volume: 14266 ± 4 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 166.94 K
• Number of distinct elements: 8
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No