Information card for entry 4127248

Structure parameters

• Formula: C27 H21 Cl6 N3 O18 Tb2
• Calculated formula: C27 H21 Cl6 N3 O18 Tb2
• Title of publication: Direct Radiation Detection by a Semiconductive Metal-Organic Framework.
• Authors of publication: Wang, Yaxing; Liu, Xin; Li, Xiaoyan; Zhai, Fuwan; Yan, Siqi; Liu, Ning; Chai, Zhifang; Xu, Yadong; Ouyang, Xiaoping; Wang, Shuao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.703 ± 0.003 Å
• b: 16.17 ± 0.005 Å
• c: 22.076 ± 0.006 Å
• α: 90°
• β: 92.57 ± 0.008°
• γ: 90°
• Cell volume: 3816.8 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0672
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No