Information card for entry 4330514

Structure parameters

• Formula: C46 H21 Cu3 O15 Si
• Calculated formula: C46.03 H21 Cu3 O15 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: 43.5592 ± 0.0007 Å
• b: 43.5592 ± 0.0007 Å
• c: 43.5592 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 82649 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.112
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.3684
• Weighted residual factors for all reflections included in the refinement: 0.3786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.584
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No