Information card for entry 4089411

Structure parameters

• Formula: C30 H32 Cu F12 K O8
• Calculated formula: C30 H32 Cu F12 K O8
• SMILES: c12ccccc1C(C(F)(F)F)(C(F)(F)F)O[Cu]12c2ccccc2C(C(F)(F)F)(C(F)(F)F)O1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Room Temperature Stable Organocuprate Copper(III) Complex
• Authors of publication: Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3429
• a: 8.6969 ± 0.0002 Å
• b: 19.4441 ± 0.0003 Å
• c: 10.5153 ± 0.0002 Å
• α: 90°
• β: 105.309 ± 0.001°
• γ: 90°
• Cell volume: 1715.08 ± 0.06 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: 0.0288
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No