Information card for entry 7236073

Structure parameters

• Common name: LMOF-1
• Formula: C102 H57 O16 Zr3
• Calculated formula: C102 H57 O16 Zr3
• Title of publication: A luminescent Zr-based metal‒organic framework for sensing/capture of nitrobenzene and high-pressure separation of CH4/C2H6
• Authors of publication: Zou, Ruyi; Ren, Xueling; Huang, Fang; Zhao, Yifang; Liu, Jia; Jing, Xiping; Liao, Fuhui; Wang, Yinxia; Lin, Jianhua; Zou, Ruqiang; Sun, Junliang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 46
• Pages of publication: 23493
• a: 24.2929 ± 0.0004 Å
• b: 24.2929 ± 0.0004 Å
• c: 24.2929 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14336.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2533
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No