Information card for entry 4128165

Structure parameters

• Common name: LIFM-28-BPYDC
• Formula: C76 H30 F24 N2 O32 Zr6
• Calculated formula: C76 H30 F24 N2 O32 Zr6
• Title of publication: Catalysis through Dynamic Spacer Installation of Multivariate Functionalities in Metal-Organic Frameworks.
• Authors of publication: Cao, Chen-Chen; Chen, Cheng-Xia; Wei, Zhang-Wen; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Wang, Dawei; Su, Cheng-Yong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2589 - 2593
• a: 23.0084 ± 0.0005 Å
• b: 23.0084 ± 0.0005 Å
• c: 18.8119 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9958.8 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No