Information card for entry 4511746

Structure parameters

• Formula: C49 H55 Cu N14 O65 P2 W18
• Calculated formula: C49 H49 Cu N14 O65 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: 14.505 ± 0.005 Å
• b: 15.007 ± 0.005 Å
• c: 22.506 ± 0.005 Å
• α: 88.425 ± 0.005°
• β: 83.881 ± 0.005°
• γ: 81.521 ± 0.005°
• Cell volume: 4818 ± 3 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: 0.0835
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No