Information card for entry 7021357

Structure parameters

• Formula: C40 H34 N6 O10 Zn
• Calculated formula: C40 H34 N6 O10 Zn
• Title of publication: Enhancing selective CO2 adsorption via chemical reduction of a redox-active metal-organic framework.
• Authors of publication: Leong, Chanel F.; Faust, Thomas B.; Turner, Peter; Usov, Pavel M.; Kepert, Cameron J.; Babarao, Ravichandar; Thornton, Aaron W.; D'Alessandro, Deanna M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9831 - 9839
• a: 25.9151 ± 0.0001 Å
• b: 14.1744 ± 0.0001 Å
• c: 20.6042 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7568.56 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No