Information card for entry 4336734

Structure parameters

• Formula: C32 H36 Cu2 F6 N6 O10 S4
• Calculated formula: C32 H36 Cu2 F6 N6 O10 S4
• Title of publication: CuI Thiolate Reactivity with Dioxygen: The Formation of CuII Sulfinate and CuII Sulfonate Species via a CuII Thiolate Intermediate
• Authors of publication: Erica C.M. Ording-Wenker; Maxime A. Siegler; Martin Lutz; Elisabeth Bouwman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13113 - 13122
• a: 9.3137 ± 0.0003 Å
• b: 12.4946 ± 0.0004 Å
• c: 16.8065 ± 0.0005 Å
• α: 90°
• β: 100.346 ± 0.003°
• γ: 90°
• Cell volume: 1923.99 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0668
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No