Information card for entry 7128954

Structure parameters

• Formula: C360 H278 B8 N24 Pd6 S12
• Calculated formula: C360 H278 B8 N24 Pd6 S12
• Title of publication: Orientational self-sorting: formation of structurally defined Pd₄L₈ and Pd₆L₁₂ cages from low-symmetry dipyridyl ligands.
• Authors of publication: Li, Ru-Jin; Marcus, Adam; Fadaei-Tirani, Farzaneh; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 78
• Pages of publication: 10023 - 10026
• a: 22.4855 ± 0.001 Å
• b: 22.5246 ± 0.0009 Å
• c: 25.9711 ± 0.0013 Å
• α: 65.278 ± 0.005°
• β: 69.004 ± 0.004°
• γ: 67.104 ± 0.004°
• Cell volume: 10701.9 ± 1 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2797
• Residual factor for significantly intense reflections: 0.2192
• Weighted residual factors for significantly intense reflections: 0.5045
• Weighted residual factors for all reflections included in the refinement: 0.5476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.899
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No