Information card for entry 7118489

Structure parameters

• Formula: C78 H121 Cu6 N17 O54
• Calculated formula: C54 H21 Cu6 N9 O30
• Title of publication: Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal-organic frameworks.
• Authors of publication: Liu, Bing; Yao, Shuo; Shi, Chao; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3223 - 3226
• a: 26.956 ± 0.004 Å
• b: 26.956 ± 0.004 Å
• c: 39.145 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28444 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.1246
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No