Information card for entry 7117088

Structure parameters

• Formula: C22 H22 Cu4 N2 O18 S2
• Calculated formula: C22 H14 Cu4 N2 O18 S2
• Title of publication: A tetranuclear copper cluster-based MOF with sulfonate-carboxylate ligands exhibiting high proton conduction properties
• Authors of publication: Xing; Meng,ab; Shu-Yan Song; Xue-Zhi Song; Min Zhu; Shu-Na Zhao; Lan-Lan Wu; Hong-Jie Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8150
• a: 24.748 ± 0.005 Å
• b: 32.354 ± 0.005 Å
• c: 21.712 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 17385 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No