Information card for entry 4132028

Structure parameters

• Formula: C164 H120 B4 F16 N40 O24 Pd4 S3
• Calculated formula: C164 H120 B4 F16 N40 O24 Pd4 S3
• Title of publication: Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.
• Authors of publication: Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 14
• Pages of publication: 4869 - 4876
• a: 16.7178 ± 0.0004 Å
• b: 34.1498 ± 0.0006 Å
• c: 18.9986 ± 0.0003 Å
• α: 90°
• β: 96.009 ± 0.004°
• γ: 90°
• Cell volume: 10786.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.3659
• Weighted residual factors for all reflections included in the refinement: 0.3949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No