Information card for entry 4514009

Structure parameters

• Formula: C74 H65 Cd4 N13 O22
• Calculated formula: C74 H65 Cd4 N13 O22
• Title of publication: 2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2 and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol.
• Authors of publication: Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• a: 16.548 ± 0.003 Å
• b: 19.412 ± 0.003 Å
• c: 18.462 ± 0.003 Å
• α: 90°
• β: 107.3 ± 0.003°
• γ: 90°
• Cell volume: 5662.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No