Information card for entry 7039018

Structure parameters

• Formula: C35 H18 Cu F7 N4 O3
• Calculated formula: C35 H18 Cu F7 N4 O3
• Title of publication: A class of effective decarboxylative perfluoroalkylating reagents: [(phen)2Cu](O2CRF).
• Authors of publication: Huang, Yangjie; Ajitha, Manjaly J.; Huang, Kuo-Wei; Zhang, Zhongxing; Weng, Zhiqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8468 - 8474
• a: 15.422 ± 0.003 Å
• b: 17.64 ± 0.004 Å
• c: 21.739 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5914 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No