Information card for entry 4003296

Structure parameters

• Formula: C29.33 H26.67 Cu1.33 N5.33 O8 S2.67
• Calculated formula: C29.3333 H26.6667 Cu1.33333 N5.33333 O8 S2.66667
• Title of publication: A Robust Sulfonate-Based Metal‒Organic Framework with Permanent Porosity for Efficient CO2 Capture and Conversion
• Authors of publication: Zhang, Guiyang; Wei, Guangfeng; Liu, Zhipan; Oliver, Scott R. J.; Fei, Honghan
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 6276
• a: 22.28 ± 0.02 Å
• b: 22.2 ± 0.02 Å
• c: 11.198 ± 0.01 Å
• α: 90°
• β: 90.931 ± 0.008°
• γ: 90°
• Cell volume: 5538 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No