Information card for entry 1552078

Structure parameters

• Formula: C264 H280 N32 O16 Pd8 Zn2
• Calculated formula: C11.234 H11.9149 N1.3617 O0.680851 Pd0.340426 Zn0.0851064
• Title of publication: Sponge-like molecular cage for purification of fullerenes
• Authors of publication: Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas
• Journal of publication: Nature Communications
• Year of publication: 2014
• Journal volume: 5
• Pages of publication: 5557
• a: 32.76 ± 0.004 Å
• b: 32.76 ± 0.004 Å
• c: 35.29 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37874 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.2777
• Residual factor for significantly intense reflections: 0.2481
• Weighted residual factors for significantly intense reflections: 0.4594
• Weighted residual factors for all reflections included in the refinement: 0.4865
• Goodness-of-fit parameter for all reflections included in the refinement: 3.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No