Information card for entry 1564265

Structure parameters

• Formula: C60 H46 Eu2 N4 O17
• Calculated formula: C60 H42 Eu2 N4 O17
• Title of publication: Dual-Function Lanthanide‒Organic Frameworks Based on a Zwitterionic Ligand as a Ratiometric Thermometer and a Selective Sensor for Nitroaromatic Explosives
• Authors of publication: Zhou, Ting; Liu, Shuang; Wang, Song; Mi, Shengyong; Gao, Pan; Guo, Xianmin; Su, Qijin; Guo, Huadong
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2021
• a: 11.715 ± 0.005 Å
• b: 15.058 ± 0.005 Å
• c: 18.88 ± 0.005 Å
• α: 109.118 ± 0.005°
• β: 91.669 ± 0.005°
• γ: 98.481 ± 0.005°
• Cell volume: 3101.7 ± 1.9 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: 0.1099
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No