Information card for entry 1565058

Structure parameters

• Chemical name: Th-SINAP-200
• Formula: C161 H105 N5 O40 Th6
• Calculated formula: C161 H105 N5 O40 Th6
• Title of publication: A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition
• Authors of publication: Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 24.6432 ± 0.0012 Å
• b: 25.1083 ± 0.0012 Å
• c: 25.5393 ± 0.0013 Å
• α: 117.118 ± 0.002°
• β: 114.422 ± 0.002°
• γ: 91.982 ± 0.002°
• Cell volume: 12312.2 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.108
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No