Information card for entry 4133991

Structure parameters

• Formula: C240 H278 B6 F24 N26 O12 Pd12 S12
• Calculated formula: C240 H278 B6 F24 N26 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: 15.8619 ± 0.0018 Å
• b: 23.109 ± 0.003 Å
• c: 23.149 ± 0.003 Å
• α: 112.829 ± 0.003°
• β: 103.394 ± 0.003°
• γ: 101.148 ± 0.004°
• Cell volume: 7218.4 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.43 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.145
• Weighted residual factors for significantly intense reflections: 0.3419
• Weighted residual factors for all reflections included in the refinement: 0.3514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No