Information card for entry 4514499

Structure parameters

• Formula: C111 H61 N26 O21 Zn8
• Calculated formula: C111 H61 N26 O21 Zn8
• Title of publication: Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.
• Authors of publication: Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 42
• Pages of publication: 38503 - 38509
• a: 20.5074 ± 0.0009 Å
• b: 29.3383 ± 0.0012 Å
• c: 26.3661 ± 0.0014 Å
• α: 90°
• β: 106.383 ± 0.005°
• γ: 90°
• Cell volume: 15219.1 ± 1.3 ų
• Cell temperature: 99.99 ± 0.14 K
• Ambient diffraction temperature: 99.99 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2302
• Residual factor for significantly intense reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.3601
• Weighted residual factors for all reflections included in the refinement: 0.4287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No