Information card for entry 4003290

Structure parameters

• Formula: C14.45 H8 O6.89 Pb S
• Calculated formula: C14.447 H8 O6.894 Pb 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: 5.8815 ± 0.0016 Å
• b: 13.035 ± 0.003 Å
• c: 19.371 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.1 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No