Information card for entry 4126978

Structure parameters

• Common name: potassium bis(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)copper(I)
• Formula: C93 H164 Cu4 K4 O16
• Calculated formula: C88 H152 Cu4 K4 O16
• Title of publication: Mechanism of the Ullmann Biaryl Ether Synthesis Catalyzed by Complexes of Anionic Ligands. Evidence for the Reaction of Iodoarenes With Ligated Anionic CuI Intermediates.
• Authors of publication: Giri, Ramesh; Brusoe, Andrew; Troshin, Konstantin; Wang, Justin Y.; Font, Marc; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 28.2361 ± 0.0008 Å
• b: 17.0454 ± 0.0005 Å
• c: 25.886 ± 0.0011 Å
• α: 90°
• β: 122.295 ± 0.001°
• γ: 90°
• Cell volume: 10531.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No