Information card for entry 4515281

Structure parameters

• Formula: C28 H20 Cu2 O12
• Calculated formula: C28 H16 Cu2 O12
• Title of publication: Exploring the Effect of Ligand-Originated MOF Isomerism and Methoxy Group Functionalization on Selective Acetylene/Methane and Carbon Dioxide/Methane Adsorption Properties in Two NbO-Type MOFs.
• Authors of publication: Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; Xiong, Shunshun; Krishna, Rajamani; He, Yabing
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 20559 - 20568
• a: 18.6707 ± 0.0009 Å
• b: 18.6707 ± 0.0009 Å
• c: 39.262 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11853 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No