Information card for entry 7110034

Structure parameters

• Formula: C33 H47 O13 Tb
• Calculated formula: C23 H17 O8 Tb
• Title of publication: A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives
• Authors of publication: Yun-Nan Gong; Long Jiang; Tong-Bu Lu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11113
• a: 27.162 ± 0.003 Å
• b: 13.2751 ± 0.0016 Å
• c: 27.128 ± 0.002 Å
• α: 90°
• β: 108.438 ± 0.009°
• γ: 90°
• Cell volume: 9279.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No