Information card for entry 7044195

Structure parameters

• Formula: C13 H13 Cl Cu N2 O4 S
• Calculated formula: C13 H13 Cl Cu N2 O4 S
• 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: 7.9081 ± 0.0002 Å
• b: 13.4568 ± 0.0004 Å
• c: 14.0019 ± 0.0004 Å
• α: 90°
• β: 104.28 ± 0.001°
• γ: 90°
• Cell volume: 1444.01 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No