Information card for entry 4348608

Structure parameters

• Formula: C52 H34 N12 O8 Zn3
• Calculated formula: C52 H34 N12 O8 Zn3
• Title of publication: Ligand Symmetry Modulation for Designing Mixed-Ligand Metal-Organic Frameworks: Gas Sorption and Luminescence Sensing Properties.
• Authors of publication: Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8892 - 8897
• a: 21.027 ± 0.002 Å
• b: 21.027 ± 0.002 Å
• c: 20.5274 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7859.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No