Information card for entry 7218560

Structure parameters

• Common name: Y85
• Formula: C70 H78 Cd2 N14 O16
• Calculated formula: C70 H78 Cd2 N14 O16
• 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: 9.072 ± 0.0018 Å
• b: 13.14 ± 0.003 Å
• c: 30.7 ± 0.006 Å
• α: 92.72 ± 0.03°
• β: 90.2 ± 0.03°
• γ: 90.01 ± 0.03°
• Cell volume: 3655.5 ± 1.3 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2533
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No