Information card for entry 4123467

Structure parameters

• Formula: C24 H35 Cl2 Cu N7 O9
• Calculated formula: C24 H35 Cl2 Cu N7 O9
• Title of publication: A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.
• Authors of publication: Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 8
• Pages of publication: 2796 - 2799
• a: 15.05046 ± 0.00019 Å
• b: 15.05046 ± 0.00019 Å
• c: 22.728 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4458.53 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No