Information card for entry 7219934

Structure parameters

• Formula: C48 H100 Cu N12 O83 P2 Ti2 W22
• Calculated formula: C48 H92 Cu N12 O80 P2 Ti2 W22
• 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: 12.9068 ± 0.0005 Å
• b: 23.7447 ± 0.0009 Å
• c: 38.817 ± 0.0017 Å
• α: 90°
• β: 96.451 ± 0.001°
• γ: 90°
• Cell volume: 11820.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0918
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No