Information card for entry 4003289

Structure parameters

• Formula: C14.43 H8 Cd O6.8 S
• Calculated formula: C14.431 H8 Cd O6.797 S
• Title of publication: Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs
• Authors of publication: Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 5829
• a: 13.391 ± 0.003 Å
• b: 21.45 ± 0.004 Å
• c: 10.1758 ± 0.0015 Å
• α: 90°
• β: 94.96 ± 0.005°
• γ: 90°
• Cell volume: 2911.9 ± 1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0502
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No