Information card for entry 4120366

Structure parameters

• Common name: M12L24 sphere 2b from ligand 1a and Pd2+ complexed with Ag+
• Formula: C456 H264 Ag19.2 B23 F92 N110.4 Pd12
• Calculated formula: C456 H264 Ag19.2 B23 F92 N110.4 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: 61.066 ± 0.012 Å
• b: 61.073 ± 0.012 Å
• c: 43.152 ± 0.009 Å
• α: 90°
• β: 135.02 ± 0.03°
• γ: 90°
• Cell volume: 113758 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.2036
• Residual factor for significantly intense reflections: 0.1615
• Weighted residual factors for significantly intense reflections: 0.4424
• Weighted residual factors for all reflections included in the refinement: 0.465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.798
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No