Information card for entry 7047933

Structure parameters

• Common name: Cd-TCAA
• Chemical name: Cd-TCAA
• Formula: C31 H16 Cd1.5 N3 O8.5
• Calculated formula: C31 H16 Cd1.5 N3 O8.5
• Title of publication: Photoactive metal-organic framework as a bifunctional material for 4-hydroxy-4'-nitrobiphenyl detection and photodegradation of methylene blue.
• Authors of publication: Xia, Lingling; Ni, Jiawen; Wu, Pengyan; Ma, Ju; Bao, Liang; Shi, Yanhui; Wang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16551 - 16557
• a: 25.79 ± 0.0018 Å
• b: 12.2532 ± 0.0009 Å
• c: 18.9008 ± 0.0013 Å
• α: 90°
• β: 99.779 ± 0.001°
• γ: 90°
• Cell volume: 5886.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No