Information card for entry 4128435

Structure parameters

• Formula: C39 H52 B Eu N2 O9
• Calculated formula: C33 H36 B Eu O7
• Title of publication: Selective, Fast-Response, and Regenerable Metal-Organic Framework for Sampling Excess Fluoride Levels in Drinking Water.
• Authors of publication: Ebrahim, Fatmah Mish; Nguyen, Tu N.; Shyshkanov, Serhii; Gładysiak, Andrzej; Favre, Patrick; Zacharia, Anna; Itskos, Grigorios; Dyson, Paul J.; Stylianou, Kyriakos C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 3052 - 3058
• a: 32.1523 ± 0.0012 Å
• b: 8.6704 ± 0.0002 Å
• c: 32.0714 ± 0.0015 Å
• α: 90°
• β: 115.022 ± 0.005°
• γ: 90°
• Cell volume: 8101.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.134
• Residual factor for significantly intense reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.2641
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7142 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No