Information card for entry 4324926

Structure parameters

• Formula: C58 H60 Cu4 F24 N12 P6
• Calculated formula: C58 H60 Cu4 F24 N12 P6
• SMILES: C12=C3C(=C4P51(c1ccc(P678C9=C%10CCCCC%10=C6c6[n](cccc6)[Cu]8([N]#CC)([N]#CC)[Cu]7([n]6c9cccc6)([N]#CC)[N]#CC)cc1)[Cu]([n]1c2cccc1)([N]#CC)([N]#CC)[Cu]5([N]#CC)([N]#CC)[n]1c4cccc1)CCCC3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Folding of a Supramolecular Framework Based on a Tetrametallic Clip Driven by π-π Interactions
• Authors of publication: Tomohiro Agou; Manuel Sébastian; Christophe Lescop; Régis Réau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3183 - 3185
• a: 9.9984 ± 0.0004 Å
• b: 24.3664 ± 0.001 Å
• c: 15.1535 ± 0.0006 Å
• α: 90°
• β: 95.606 ± 0.002°
• γ: 90°
• Cell volume: 3674.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No