Information card for entry 1572796

Structure parameters

• Formula: C102 H60 Co6 N18 O25
• Calculated formula: C102 H60 Co6 N18 O25
• Title of publication: Metal–organic frameworks with two different-sized aromatic ring-confined nanotraps for benchmark natural gas upgrade
• Authors of publication: Li, Shu-Yi; Xue, Ying-Ying; Wang, Jia-Wen; Li, Hai-Peng; Lei, Jiao; Lv, Hong-Juan; Bu, Xianhui; Zhang, Peng; Wang, Ying; Yuan, Wen-Yu; Zhai, Quan-Guo
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 19.8699 ± 0.0004 Å
• b: 19.8699 ± 0.0004 Å
• c: 23.3404 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7980.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No