Information card for entry 7207910

Structure parameters

• Formula: C27 H15 La O7
• Calculated formula: C27 H15 La O7
• Title of publication: Breathing effects of CO2 adsorption on a flexible 3D lanthanide metal‒organic framework
• Authors of publication: Mu, Bin; Li, Feng; Huang, Yougui; Walton, Krista S.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 10172
• a: 16.5428 ± 0.0004 Å
• b: 16.5428 ± 0.0004 Å
• c: 24.3988 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5782.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No