Information card for entry 4127290

Structure parameters

• Formula: C53 H24 Cu4 F4 N4 O16
• Calculated formula: C53 H24 Cu4 F4 N4 O16
• Title of publication: Enhanced Gas Uptake in a Microporous Metal-Organic Framework <i>via</i> a Sorbate Induced-Fit Mechanism.
• Authors of publication: Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.489 ± 0.0003 Å
• b: 10.4486 ± 0.0004 Å
• c: 15.1078 ± 0.0007 Å
• α: 90°
• β: 106.787 ± 0.004°
• γ: 90°
• Cell volume: 1585.19 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.3028
• Weighted residual factors for all reflections included in the refinement: 0.3176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No