Information card for entry 7223203

Structure parameters

• Common name: Cd-TCA-DEF
• Formula: C96 H82 Cd5 N8 O28
• Calculated formula: C96 H82 Cd5 N8 O28
• Title of publication: Instant high-selectivity Cd-MOF chemosensor for naked-eye detection of Cu(ii) confirmed using in situ microcalorimetry
• Authors of publication: Qiao, Chengfang; Qu, Xiaoni; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Yang, Desuo
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 951
• a: 14.5196 ± 0.0009 Å
• b: 23.367 ± 0.0014 Å
• c: 15.6042 ± 0.0009 Å
• α: 90°
• β: 107.475 ± 0.001°
• γ: 90°
• Cell volume: 5049.8 ± 0.5 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: 0.0587
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No