Information card for entry 1574099

Structure parameters

• Formula: C112 H276 Mo12 N40 O138 Pd4 Si
• Calculated formula: C112 H128 Mo12 N32 O40 Pd4 Si
• Title of publication: Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks
• Authors of publication: Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7956 - 7962
• a: 55.438 ± 0.004 Å
• b: 55.438 ± 0.004 Å
• c: 34.467 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 91738 ± 11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No