Information card for entry 4517866

Structure parameters

• Formula: C53.44 H50.88 N4 O8.72 Zn
• Calculated formula: C53.436 H50.872 N4 O8.718 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: 22.0243 ± 0.0008 Å
• b: 11.7091 ± 0.0004 Å
• c: 20.0877 ± 0.0007 Å
• α: 90°
• β: 105.69 ± 0.001°
• γ: 90°
• Cell volume: 4987.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.1135
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No