Information card for entry 4119993

Structure parameters

• Formula: C74 H62 Cu5 Na2 O16 S7
• Calculated formula: C74 H62 Cu5 Na2 O16 S7
• Title of publication: A New Family of Nucleophiles for Photoinduced, Copper-Catalyzed Cross-Couplings via Single-Electron Transfer: Reactions of Thiols with Aryl Halides Under Mild Conditions (O ° C)
• Authors of publication: Christopher Uyeda; Yichen Tan; Gregory C. Fu; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9548 - 9552
• a: 15.7407 ± 0.0006 Å
• b: 15.7841 ± 0.0006 Å
• c: 19.5588 ± 0.0008 Å
• α: 85.53 ± 0.003°
• β: 71.368 ± 0.002°
• γ: 61.411 ± 0.002°
• Cell volume: 4026.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2124
• Residual factor for significantly intense reflections: 0.1403
• Weighted residual factors for significantly intense reflections: 0.3776
• Weighted residual factors for all reflections included in the refinement: 0.4232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No