Information card for entry 4129304

Structure parameters

• Formula: C81 H120 O3
• Calculated formula: C81 H120 O3
• 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: 11.1927 ± 0.0002 Å
• b: 15.03 ± 0.0003 Å
• c: 22.5983 ± 0.0016 Å
• α: 100.2 ± 0.007°
• β: 101.975 ± 0.007°
• γ: 96.601 ± 0.007°
• Cell volume: 3614.4 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No