Information card for entry 1572795

Structure parameters

• Formula: C105 H63 Co6 N15 O25
• Calculated formula: C105 H63 Co6 N15 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: 19.7252 ± 0.001 Å
• b: 19.7252 ± 0.001 Å
• c: 23.5747 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7943.6 ± 0.7 ų
• Cell temperature: 218 ± 13 K
• Ambient diffraction temperature: 218 ± 13 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: 0.0955
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No