Information card for entry 4511747

Structure parameters

• Formula: C42 H44 Cu3 K N12 O62 P2 W18
• Calculated formula: C42 H42 Cu3 K N12 O62 P2 W18
• Title of publication: Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems
• Authors of publication: Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4450
• a: 13.152 ± 0.005 Å
• b: 25.208 ± 0.005 Å
• c: 34.395 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.43 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 11280 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No