Information card for entry 7218561

Structure parameters

• Formula: C27 H25 Cd N3 O6
• Calculated formula: C24 H16 Cd N2 O5
• Title of publication: Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red
• Authors of publication: Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 686
• a: 15.5064 ± 0.001 Å
• b: 11.7116 ± 0.0008 Å
• c: 29.7359 ± 0.0019 Å
• α: 90°
• β: 103.601 ± 0.0012°
• γ: 90°
• Cell volume: 5248.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No