Information card for entry 7135284

Structure parameters

• Formula: C6 N1.5 O11.917 P0.333 W3 Zr0.5
• Calculated formula: C6 N1.5 O11.9167 P0.333333 W3 Zr0.5
• Title of publication: Stable Zr-based polyoxometalate as a green catalyst for selective oxidation of aniline
• Authors of publication: Liang, Zhijie; Yao, Yiqing; Ding, Yuyang; Wang, Haifeng; Li, Huafeng; Feng, Gang
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 22.6915 ± 0.0001 Å
• b: 22.6915 ± 0.0001 Å
• c: 39.2399 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17497.9 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No