Information card for entry 7218427

Structure parameters

• Formula: C26 H31 Cu2 N6 O10.5
• Calculated formula: C26 H30 Cu2 N6 O10.52
• Title of publication: An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts
• Authors of publication: Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.5992 ± 0.0006 Å
• b: 7.8436 ± 0.0004 Å
• c: 30.4801 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3012.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No