Information card for entry 4101110

Structure parameters

• Formula: C134 H116 Cl12 Cu4 F24 N12 P8
• Calculated formula: C134 H116 Cl12 Cu4 F24 N12 P8
• SMILES: C12=C3CCCCC3=C3c4[n](cccc4)[Cu]456[n]7c(C8=C9CCCCC9=C([P]8(c8ccccc8)[Cu]5([n]5c2cccc5)([P]134c1ccccc1)[N]#Cc1ccc(cc1)C=Cc1ccc(cc1)C#[N][Cu]123[n]4c(C5=C8C(=C9[P]25(c2ccccc2)[Cu]3([n]2c9cccc2)([P]2(C(=C3CCCCC3=C2c2ncccc2)c2[n]1cccc2)c1ccccc1)[N]#Cc1ccc(cc1)C=Cc1ccc(C#[N]6)cc1)CCCC8)cccc4)c1ncccc1)cccc7.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Mimicking [2,2]Paracyclophane Topology : Molecular Clips for the Coordination-Driven Co-facial Assembly of pi-Conjugated Systems
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 12.9509 ± 0.0005 Å
• b: 16.0253 ± 0.0008 Å
• c: 17.0867 ± 0.0009 Å
• α: 84.578 ± 0.002°
• β: 86.377 ± 0.002°
• γ: 77.343 ± 0.002°
• Cell volume: 3441.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No