Information card for entry 1552080

Structure parameters

• Formula: C380 H280 N23 O16 Pd8 Z
• Calculated formula: C31.6667 H23.3333 N2.66667 O1.33333 Pd0.666667 Zn0.166667
• 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: 32.202 ± 0.004 Å
• b: 32.202 ± 0.004 Å
• c: 34.972 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36265 ± 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: 0.3899
• Residual factor for significantly intense reflections: 0.301
• Weighted residual factors for significantly intense reflections: 0.4971
• Weighted residual factors for all reflections included in the refinement: 0.5571
• Goodness-of-fit parameter for all reflections included in the refinement: 2.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No