Information card for entry 7709333

Structure parameters

• Formula: C10 H32 Cu5.83 N12 O56 P W11.18
• Calculated formula: C10 H20 Cu5.82 N12 O50 P W11.18
• Title of publication: A Keggin-type polyoxometalate-based metal–organic complex as a highly efficient heterogeneous catalyst for the selective oxidation of alkylbenzenes
• Authors of publication: Wang, Yue; Xu, Na; Zhang, Yue; Zhang, Tong; Zhang, Zhong; Li, Xiao-Hui; Wang, Xiu-Li
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.8596 ± 0.0013 Å
• b: 19.9924 ± 0.0013 Å
• c: 11.5815 ± 0.0009 Å
• α: 90°
• β: 105.584 ± 0.002°
• γ: 90°
• Cell volume: 2868.1 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No