Information card for entry 7043257

Structure parameters

• Formula: C24 H128 Cu6 N24 Nb12 O59 P V2
• Calculated formula: C24 H104 Cu6 N24 Nb12 O46 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: 14.5498 ± 0.0003 Å
• b: 14.5498 ± 0.0003 Å
• c: 22.9484 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4858.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No