Information card for entry 7118972

Structure parameters

• Formula: C51 H23 Cu6 N3 O33
• Calculated formula: C51 H23 Cu6 N3 O33
• Title of publication: Finely tuning MOFs towards high performance in C2H2 storage: synthesis and properties of a new MOF-505 analogue with an inserted amide functional group
• Authors of publication: Mingxing Zhang; Bin Li; Yunzhi Li; Qian Wang; Wenwei Zhang; Banglin Chen; Shuhua Li; Yi Pan; Xiaozeng You; Junfeng Bai
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7241
• a: 32.27 Å
• b: 18.631 ± 0.004 Å
• c: 23.512 ± 0.003 Å
• α: 90°
• β: 117.225 ± 0.007°
• γ: 90°
• Cell volume: 12570 ± 3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2204
• Residual factor for significantly intense reflections: 0.1619
• Weighted residual factors for significantly intense reflections: 0.4197
• Weighted residual factors for all reflections included in the refinement: 0.4466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No