Information card for entry 1561724

Structure parameters

• Formula: C72 H72 N12 Ni2 O40 V W12
• Calculated formula: C72 H72 N12 Ni2 O40 V W12
• Title of publication: Supramolecular hybrids of polytungstates and their adsorption properties for methylene blue
• Authors of publication: Liu, Yunping; Zheng, Ran; Han, Zhangang; Gong, Kaining; He, Xueli; Zhai, Xueliang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 231
• Pages of publication: 169 - 174
• a: 13.3376 ± 0.0007 Å
• b: 13.2429 ± 0.0007 Å
• c: 27.0301 ± 0.0015 Å
• α: 90°
• β: 95.398 ± 0.001°
• γ: 90°
• Cell volume: 4753.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No