Information card for entry 4336262

Structure parameters

• Formula: C51 H35 Cu6 N0 O33
• Calculated formula: C51 H22 Cu6 O32.868
• Title of publication: Design and Synthesis of Two Porous Metal-Organic Frameworks with nboandagw Topologies Showing High CO2 Adsorption Capacity
• Authors of publication: Zhiqiang Liang; Jingjing Du; Libo Sun; Jin Xu; Ying Mu; Yi Li; Jihong Yu; Ruren Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10720 - 10722
• a: 23.375 ± 0.004 Å
• b: 18.692 ± 0.003 Å
• c: 32.329 ± 0.007 Å
• α: 90°
• β: 117.405 ± 0.003°
• γ: 90°
• Cell volume: 12540 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No