Information card for entry 4330512

Structure parameters

• Formula: C78 H83 Cu3 N3 O21 Si
• Calculated formula: C42 H22.02 Cu3 O16 Si
• Title of publication: Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs
• Authors of publication: XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10350 - 10355
• a: 43.5971 ± 0.0009 Å
• b: 43.5971 ± 0.0009 Å
• c: 43.5971 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 82865 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No