Information card for entry 7228466

Structure parameters

• Formula: C27.69 H24.94 Cd N4.57 O6.57
• Calculated formula: C27.698 H24.962 Cd N4.566 O6.566
• 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: 10.27 ± 0.001 Å
• b: 10.9495 ± 0.0011 Å
• c: 13.9134 ± 0.0013 Å
• α: 101.807 ± 0.002°
• β: 100.473 ± 0.002°
• γ: 109.366 ± 0.002°
• Cell volume: 1391 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0317
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No