Information card for entry 4101108

Structure parameters

• Formula: C70 H56 Cl12 Cu2 F12 N6 P4
• Calculated formula: C70 H56 Cl12 Cu2 F12 N6 P4
• 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: 15.4965 ± 0.0003 Å
• b: 15.6184 ± 0.0004 Å
• c: 16.5106 ± 0.0003 Å
• α: 97.1936 ± 0.001°
• β: 99.6936 ± 0.001°
• γ: 98.6028 ± 0.0012°
• Cell volume: 3848.06 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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