Information card for entry 4127287

Structure parameters

• Formula: C52 H24 Cu4 F4 N5 O16
• Calculated formula: C52 H24 Cu4 F4 N5 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: 10.488 ± 0.002 Å
• b: 10.412 ± 0.002 Å
• c: 15.057 ± 0.003 Å
• α: 90°
• β: 107.13 ± 0.03°
• γ: 90°
• Cell volume: 1571.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No