Information card for entry 7119036

Structure parameters

• Formula: C232 H240 Cd8 F48 N72 O48 S16
• Calculated formula: C232 H240 Cd8 F47.9997 N72 O48.0001 S16
• Title of publication: M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange
• Authors of publication: Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 5981
• a: 41.313 ± 0.005 Å
• b: 41.313 ± 0.005 Å
• c: 41.313 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 70512 ± 15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.1226
• Weighted residual factors for significantly intense reflections: 0.3474
• Weighted residual factors for all reflections included in the refinement: 0.3748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.78 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No