Information card for entry 7128955

Structure parameters

• Formula: C176 H136 B9 F28 N16 Na Pd4
• Calculated formula: C176 H136 B9 F28 N16 Na Pd4
• 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: 30.152 ± 0.0005 Å
• b: 39.3021 ± 0.001 Å
• c: 33.998 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 40288.9 ± 1.4 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2831
• Weighted residual factors for all reflections included in the refinement: 0.3227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No