Information card for entry 4347046

Structure parameters

• Formula: C67 H72 N O24 Zn2
• Calculated formula: C67 H58 N O21 Zn2
• 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: 13.369 ± 0.0011 Å
• b: 16.12 ± 0.0013 Å
• c: 16.459 ± 0.0011 Å
• α: 78.684 ± 0.006°
• β: 83.297 ± 0.006°
• γ: 72.579 ± 0.007°
• Cell volume: 3312.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2159
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.2978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No