Information card for entry 7100396

Structure parameters

• Common name: 02198
• Formula: C49 H60 Cu F3 N4 O5 S
• Calculated formula: C45 H52 Cu F3 N4 O4 S
• Title of publication: Reactivity of a 1:1 Copper-Oxygen Complex: Isolation of a Cu(II)-o-Iminosemiquinonato Species
• Authors of publication: William Tolman; Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 29.967 ± 0.003 Å
• b: 13.6607 ± 0.0012 Å
• c: 23.462 ± 0.002 Å
• α: 90°
• β: 92.711 ± 0.002°
• γ: 90°
• Cell volume: 9593.9 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No