Information card for entry 7119037

Structure parameters

• Formula: C240 H240 F39 Mn8 N84 P6.5
• Calculated formula: C240 H240 F39 Mn8 N84 P6.5
• 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: 26.6801 ± 0.0003 Å
• b: 26.6801 ± 0.0003 Å
• c: 26.6801 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18991.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.3681
• Weighted residual factors for all reflections included in the refinement: 0.3942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No