Information card for entry 7117886

Structure parameters

• Formula: C111 H156 Cu6 N11 O50
• Calculated formula: C67 H31 Cu6 O30
• Title of publication: A polyhedral metal-organic framework based on the supermolecular building block strategy exhibiting high performance for carbon dioxide capture and separation of light hydrocarbons.
• Authors of publication: Wang, Dongmei; Liu, Bing; Yao, Shuo; Wang, Tao; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 83
• Pages of publication: 15287 - 15289
• a: 26.582 ± 0.004 Å
• b: 26.582 ± 0.004 Å
• c: 39.19 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27692 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No