Information card for entry 4349465

Structure parameters

• Common name: pcj031
• Formula: C22.5 H18.5 Cd0.15 N2.5 O5.5 Zn0.85
• Calculated formula: C22.5 H18.5 Cd0.15 N2.5 O5.5 Zn0.85
• Title of publication: High photodegradation efficiency of phenol by mixed-metal‒organic frameworks
• Authors of publication: Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Junk, Peter C.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 944
• a: 26.982 ± 0.013 Å
• b: 8.033 ± 0.004 Å
• c: 23.293 ± 0.012 Å
• α: 90°
• β: 98.992 ± 0.009°
• γ: 90°
• Cell volume: 4987 ± 4 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 6
• 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: 0.1215
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No