Information card for entry 7228463

Structure parameters

• Formula: C27.45 H26.3 Cd N4.48 O6.48
• Calculated formula: C27.455 H26.307 Cd N4.485 O6.485
• 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: 10.278 ± 0.003 Å
• b: 10.999 ± 0.003 Å
• c: 14.002 ± 0.004 Å
• α: 102.274 ± 0.007°
• β: 100.019 ± 0.007°
• γ: 109.594 ± 0.006°
• Cell volume: 1404.5 ± 0.7 ų
• Cell temperature: 323 K
• Ambient diffraction temperature: 323 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: 0.0791
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No