Information card for entry 7044196

Structure parameters

• Formula: C14 H11 Cu F3 N2 O6 S2
• Calculated formula: C14 H11 Cu F3 N2 O6 S2
• Title of publication: Sulfonato-imino copper(II) complexes : fast and general Chan-Evans-Lam coupling of amines and anilines
• Authors of publication: Hardouin Duparc, Valérie; Schaper, Frank
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.6171 ± 0.0002 Å
• b: 10.0602 ± 0.0002 Å
• c: 23.556 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3463.93 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No