Information card for entry 7714309

Structure parameters

• Formula: C62 H87 Cr Mo6 N4 O49 Y
• Calculated formula: C62 H61 Cr Mo6 N4 O36 Y
• Title of publication: A Porous Anderson-Type Polyoxometalate-based Metal-Organic Framework as Multifunctional Platform for Selective Oxidative Coupling with Amines
• Authors of publication: Tan, Hong-Ru; Zhou, Xiang; You, Hanqi; Zheng, Qi; Zhao, Sheng-yin; Xuan, Weimin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.262 ± 0.002 Å
• b: 13.818 ± 0.003 Å
• c: 24.319 ± 0.004 Å
• α: 104.555 ± 0.007°
• β: 104.167 ± 0.007°
• γ: 90.51 ± 0.006°
• Cell volume: 4170.6 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No