Information card for entry 4514498

Structure parameters

• Formula: C111 H63 N26 O18 Zn8
• Calculated formula: C111 H63 N26 O18 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: 17.0241 ± 0.0005 Å
• b: 18.1149 ± 0.0006 Å
• c: 22.7218 ± 0.0008 Å
• α: 69.849 ± 0.003°
• β: 73.779 ± 0.003°
• γ: 69.486 ± 0.003°
• Cell volume: 6060 ± 0.4 ų
• Cell temperature: 99.99 ± 0.14 K
• Ambient diffraction temperature: 99.99 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No