Information card for entry 7113305

Structure parameters

• Formula: C208 H336 Cu6 F144 N68 P24
• Calculated formula: C179.998 H288 Cu6 F119.998 N54 P20
• 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: 31.8441 ± 0.0002 Å
• b: 31.8441 ± 0.0002 Å
• c: 31.8441 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 32291.4 ± 0.4 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.3689
• Weighted residual factors for all reflections included in the refinement: 0.3827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.842
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No