Information card for entry 7113304

Structure parameters

• Formula: C208 H330 Cu6 F144 N74 P24
• Calculated formula: C168 H270 Cu6 F96 N54 P16
• Title of publication: Sterically controlled self-assembly of tetrahedral M6L4 cages via cationic N-donor ligands
• Authors of publication: Anssi Peuronen; Samu Forsblom; Manu Lahtinen
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5469
• a: 22.4999 ± 0.0005 Å
• b: 22.4999 ± 0.0005 Å
• c: 31.3098 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15850.4 ± 0.8 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 134
• Hermann-Mauguin space group symbol: P 42/n n m
• Hall space group symbol: -P 4ac 2bc
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2699
• Weighted residual factors for all reflections included in the refinement: 0.2989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No