Information card for entry 4129303

Structure parameters

• Formula: C131 H186 O13 Zn4
• Calculated formula: C75 H74 O13 Zn4
• Title of publication: Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.
• Authors of publication: Liu, Lujia; Telfer, Shane G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 11
• Pages of publication: 3901 - 3909
• a: 29.8062 ± 0.0003 Å
• b: 29.8062 ± 0.0003 Å
• c: 29.8062 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26480.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 200
• Hermann-Mauguin space group symbol: P m -3
• Hall space group symbol: -P 2 2 3
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.3743
• Weighted residual factors for all reflections included in the refinement: 0.3777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No