Information card for entry 4517867

Structure parameters

• Formula: C47 H37 N3 O6 Zn
• Calculated formula: C47 H37 N3 O6 Zn
• Title of publication: Tetraphenylethene-Based Luminescent Metal-Organic Framework for Effective Differentiation of <i>cis/trans</i> Isomers.
• Authors of publication: Xu, Yuan; Tao, Chen-Lei; Yu, Maoxing; Xiong, Yi; Ouyang, Ya-Ni; Liu, Xun-Gao; Zhao, Zujin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 22.0754 ± 0.0008 Å
• b: 11.5498 ± 0.0004 Å
• c: 20.1047 ± 0.0007 Å
• α: 90°
• β: 107.846 ± 0.001°
• γ: 90°
• Cell volume: 4879.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No