Information card for entry 7044699

Structure parameters

• Formula: C8 H16 Cu4 Mo12 N16 O40 P
• Calculated formula: C8 H12 Cu4 Mo12 N16 O40 P
• Title of publication: Hybrid compounds assembled from copper-triazole complex and polyoxometalate acid as advanced catalysts for olefins oxidation with oxygen
• Authors of publication: Jia, Mingjun; Song, Xiaojing; Yan, Yan; Wang, Yanning; Hu, Dianwen; Xiao, Lina; Yu, Jie-hui; Zhang, Wenxiang
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 18.8049 ± 0.0014 Å
• b: 13.7184 ± 0.001 Å
• c: 17.7762 ± 0.0013 Å
• α: 90°
• β: 95.511 ± 0.001°
• γ: 90°
• Cell volume: 4564.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No