Information card for entry 7202640

Structure parameters

• Common name: Bis(bis(pentafluorobenzoyl)methane)copper(ii)
• Chemical name: Bis[bis(pentafluorobenzoyl)methane]copper(II)
• Formula: C48 H20 Cu F20 O4
• Calculated formula: C48 H20 Cu F20 O4
• SMILES: c1(c(c(c(c(c1C1=CC(=[O][Cu]2(O1)OC(=CC(=[O]2)c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(F)c1F)F)F)F)F)F.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Cation?? and arene?perfluoroarene interactions between Cu(ii) fluorine-substituted ?-diketonate complex and benzenes
• Authors of publication: Hori, Akiko; Arii, Tadashi
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 215
• a: 27.098 ± 0.004 Å
• b: 47.336 ± 0.008 Å
• c: 6.933 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8893 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No