Information card for entry 7219936

Structure parameters

• Formula: C96 H80 Cu4 N24 O40 P W12
• Calculated formula: C96 H80 Cu4 N24 O40 P W12
• Title of publication: Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation
• Authors of publication: Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 3708
• a: 15.9375 ± 0.0009 Å
• b: 16.0198 ± 0.0009 Å
• c: 23.1712 ± 0.0014 Å
• α: 90°
• β: 91.951 ± 0.001°
• γ: 90°
• Cell volume: 5912.5 ± 0.6 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: 0.1209
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No