Information card for entry 7063646

Structure parameters

• Formula: C144 H108 Cu9.98 N24 O166 P4 W44.02
• Calculated formula: C144 H108 Cu9.984 N24 O166 P4 W44.016
• Title of publication: Synthesis and sulfide oxidation catalytic activity of a copper monosubstituted Keggin-type polyoxometalate-based supramolecular compound
• Authors of publication: Zhang, Yixuan; Zhu, Maochun; Liu, Yifei; Bai, Xue; Zhang, Ange; Yang, Yanli; Li, Bin; Liu, Shuxia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 4191 - 4197
• a: 11.7259 ± 0.0006 Å
• b: 22.3057 ± 0.0012 Å
• c: 23.4333 ± 0.0013 Å
• α: 94.292 ± 0.005°
• β: 96.418 ± 0.005°
• γ: 98.299 ± 0.005°
• Cell volume: 6001 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No