Information card for entry 4133997

Structure parameters

• Formula: C436 H398 B12 F48 N77 Pd24 S24
• Calculated formula: C436 H398 B12 F48 N77 Pd24 S24
• 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: 42.816 ± 0.0019 Å
• b: 42.816 ± 0.0019 Å
• c: 76.435 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 121349 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 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: 0.1173
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No