Information card for entry 1567731

Structure parameters

• Formula: C904 H1758 Cl24 N48 O230 Pd12 S200
• Calculated formula: C384 H288 Cl24 N48 Pd12
• Title of publication: Orientational self-sorting in cuboctahedral Pd cages
• Authors of publication: Li, Ru-Jin; Tarzia, Andrew; Posligua, Victor; Jelfs, Kim E.; Sanchez, Nicolas; Marcus, Adam; Baksi, Ananya; Clever, Guido H.; Fadaei-Tirani, Farzaneh; Severin, Kay
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 54.9549 ± 0.0013 Å
• b: 61.3516 ± 0.0013 Å
• c: 56.7355 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 191288 ± 7 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.1868
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.3536
• Weighted residual factors for all reflections included in the refinement: 0.4058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No