Information card for entry 4347045

Structure parameters

• Formula: C84 H84 N2 O20 Zn
• Calculated formula: C80 H60 O16 Zn
• Title of publication: Fluorescent Aromatic Tag-Functionalized MOFs for Highly Selective Sensing of Metal Ions and Small Organic Molecules.
• Authors of publication: Zhao, Si-Si; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2261 - 2273
• a: 27.694 ± 0.002 Å
• b: 15.8734 ± 0.0011 Å
• c: 18.5692 ± 0.0015 Å
• α: 90°
• β: 110.079 ± 0.009°
• γ: 90°
• Cell volume: 7666.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1485
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No