Information card for entry 7116418

Structure parameters

• Formula: C27 H16 O4 Zn
• Calculated formula: C27 H16 O4 Zn
• Title of publication: A luminescent metal-organic framework constructed using a tetraphenylethene-based ligand for sensing volatile organic compounds
• Authors of publication: Xun-Gao Liu; Hui Wang; Bin Chen; Yang Zou; Zhi-Guo Gu; Zujin Zhao; Liang Shen
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1677
• a: 36.006 ± 0.003 Å
• b: 6.013 ± 0.0005 Å
• c: 31.426 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6803.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.3903
• Weighted residual factors for all reflections included in the refinement: 0.4214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.453
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No