Information card for entry 4127625

Structure parameters

• Formula: C33 H15 Cl Fe3 N3 O19
• Calculated formula: C33 H15 Cl Fe3 N3 O19
• Title of publication: Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO₂ Capture.
• Authors of publication: Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 37
• Pages of publication: 14539 - 14543
• a: 26.742 ± 0.003 Å
• b: 26.742 ± 0.003 Å
• c: 16.8667 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10446 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.2083
• Residual factor for significantly intense reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.3681
• Weighted residual factors for all reflections included in the refinement: 0.4121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No