Information card for entry 7228467

Structure parameters

• Formula: C26 H21 Cd N4 O6
• Calculated formula: C26 H21 Cd N4 O6
• Title of publication: A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature
• Authors of publication: Tahier, Tayyibah; Oliver, Clive L.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 27.33 ± 0.006 Å
• b: 10.234 ± 0.002 Å
• c: 20.922 ± 0.005 Å
• α: 90°
• β: 110.635 ± 0.007°
• γ: 90°
• Cell volume: 5476 ± 2 ų
• Cell temperature: 373.15 K
• Ambient diffraction temperature: 373.15 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: 0.1198
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No