Information card for entry 4120365

Structure parameters

• Common name: M12L24 sphere 2b from ligand 1b and Pd2+
• Formula: C456 H264 B18 F36 N72 O267.2 Pd12
• Calculated formula: C456 H264 B18 F36 N72 O267.2 Pd12
• Title of publication: M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization
• Authors of publication: Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12497 - 12499
• a: 61.994 ± 0.012 Å
• b: 61.977 ± 0.012 Å
• c: 61.977 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 238128 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.3084
• Residual factor for significantly intense reflections: 0.2432
• Weighted residual factors for significantly intense reflections: 0.543
• Weighted residual factors for all reflections included in the refinement: 0.5713
• Goodness-of-fit parameter for all reflections included in the refinement: 2.082
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No