Information card for entry 7117867

Structure parameters

• Formula: C12 H6 Cu F3 O5
• Calculated formula: C12 H6 Cu F3 O5
• Title of publication: A microporous metal-organic framework with polarized trifluoromethyl groups for high methane storage.
• Authors of publication: Chang, Ganggang; Li, Bin; Wang, Hailong; Bao, Zongbi; Yildirim, Taner; Yao, Zizhu; Xiang, Shengchang; Zhou, Wei; Chen, Banglin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 79
• Pages of publication: 14789 - 14792
• a: 18.5283 ± 0.0004 Å
• b: 18.5283 ± 0.0004 Å
• c: 38.8075 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11537.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No