Information card for entry 7219935

Structure parameters

• Formula: C58 H79 Cu N12 O80.5 P2 Ti2 W22
• Calculated formula: C58 H76 Cu N12 O80.5 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: 14.6474 ± 0.0009 Å
• b: 19.8814 ± 0.0012 Å
• c: 21.9641 ± 0.0014 Å
• α: 78.874 ± 0.001°
• β: 88.113 ± 0.001°
• γ: 75.659 ± 0.001°
• Cell volume: 6079.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No