Information card for entry 7043258

Structure parameters

• Formula: C14 H100.5 Co2.5 N14 Nb12 O63 P V2
• Calculated formula: C14 H70 Co2.5 N14 Nb12 O49 P V2
• Title of publication: Immobilization of Keggin Polyoxovanadoniobate in Crystalline Solids as Effective Heterogeneous Catalysts towards Selective Oxidation of Benzyl-Alkanes
• Authors of publication: Hu, Jufang; Dong, Jing; Huang, Xianqiang; Chi, Yingnan; Lin, Zhengguo; Li, Jikun; Yang, Song; Ma, Hongwei; Hu, Changwen
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.8884 ± 0.0004 Å
• b: 14.1118 ± 0.0005 Å
• c: 14.5289 ± 0.0005 Å
• α: 93.443 ± 0.001°
• β: 105.107 ± 0.001°
• γ: 117.046 ± 0.001°
• Cell volume: 2222.65 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No