Information card for entry 4133988

Structure parameters

• Formula: C228 H206 B7 F28 N26 Pd12 S12
• Calculated formula: C228 H206 B7 F28 N26 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: 43.2323 ± 0.0018 Å
• b: 43.2323 ± 0.0018 Å
• c: 76.187 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 123318 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.96 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No