Information card for entry 7218428

Structure parameters

• Formula: C31 H44 Cu2 N10 O18
• Calculated formula: C31 H34 Cu2 N10 O18
• 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: 10.9883 ± 0.0004 Å
• b: 12.4084 ± 0.0005 Å
• c: 16.1803 ± 0.0006 Å
• α: 75.07 ± 0.002°
• β: 85.468 ± 0.002°
• γ: 72.003 ± 0.002°
• Cell volume: 2027.37 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No