Information card for entry 7236353

Structure parameters

• Chemical name: Cd-PDA
• Formula: C52 H22 Cd2 N5 O16
• Calculated formula: C52 H22 Cd2 N5 O16
• Title of publication: A cadmium(ii)-based metal‒organic framework for selective trace detection of nitroaniline isomers and photocatalytic degradation of methylene blue in neutral aqueous solution
• Authors of publication: Wu, Pengyan; Liu, Yanhong; Li, Yang; Jiang, Min; Li, Xiu-ling; Shi, Yanhui; Wang, Jian
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 42
• Pages of publication: 16349
• a: 17.235 ± 0.003 Å
• b: 15.1338 ± 0.0019 Å
• c: 21.39 ± 0.003 Å
• α: 90°
• β: 109.327 ± 0.002°
• γ: 90°
• Cell volume: 5264.8 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No