Information card for entry 7716521

Structure parameters

• Formula: C216 H72 Cu48 Mo4 N96 O204 P V W7
• Calculated formula: C216 H72 Cu48 Mo4.0008 N96 O204 P0.9998 V1.0008 W7.0008
• Title of publication: Self-assembly of Dawson-type H₆P₂W₁₈O₆₂@[Cu₆O(TZI)₃(H₂O)₆]₄ for high-performance aerobic oxidation desulfurization of fuel.
• Authors of publication: Qu, Wenjia; Wei, Pengpeng; Li, Jingfang; Liang, Liye; Ma, Liqiang; Li, Guangming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12610 - 12619
• a: 44.5464 ± 0.0002 Å
• b: 44.5464 ± 0.0002 Å
• c: 44.5464 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 88397.1 ± 0.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No