Information card for entry 4514497

Structure parameters

• Formula: C111 H69 N26 O19 Zn8
• Calculated formula: C111 H69.0012 N26 O19.0006 Zn8.0006
• 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: 24.0332 ± 0.0005 Å
• b: 23.8074 ± 0.0005 Å
• c: 34.8396 ± 0.0008 Å
• α: 90°
• β: 97.346 ± 0.002°
• γ: 90°
• Cell volume: 19770.5 ± 0.7 ų
• Cell temperature: 100 ± 0.15 K
• Ambient diffraction temperature: 100 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No