Information card for entry 7044312

Structure parameters

• Common name: YZU-106
• Chemical name: [TPA]3[H3PMo12O40][Zn4L2].0.5H2O
• Formula: C114 H204 Mo24 N6 O93 P2 Zn8
• Calculated formula: C114 H190 Mo24 N6 O93 P2 Zn8
• Title of publication: Construction of (3,6)-connected Polyoxometalate-Based Metal-Organic Frameworks (POMOFs) from Triangular Carboxylate and Dimerized Zn4-ε-Keggin
• Authors of publication: Dong, Bao-Xia; Hua-Bo, Chen; Wu, Yi-Chen; Zhao, Juan; Teng, Yun-Lei; Liu, Wen-long; Li, Zong-Wei
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.257 ± 0.004 Å
• b: 21.715 ± 0.004 Å
• c: 24.743 ± 0.006 Å
• α: 90°
• β: 98.94 ± 0.007°
• γ: 90°
• Cell volume: 9159 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No