Information card for entry 7041039

Structure parameters

• Formula: C48 H16 Cu2 F20 N4 O8
• Calculated formula: C48 H16 Cu2 F20 N4 O8
• SMILES: Fc1c(F)c(F)c(F)c(c1C(=O)O[Cu]12([n]3c(c4cccc[n]14)cccc3)[O](C(=O)c1c(F)c(F)c(F)c(F)c1F)[Cu]1([n]3c(c4cccc[n]14)cccc3)([O]2C(=O)c1c(F)c(F)c(F)c(F)c1F)OC(=O)c1c(F)c(F)c(F)c(F)c1F)F
• Title of publication: A new five-coordinated copper compound for efficient degradation of methyl orange and Congo red in the absence of UV-visible radiation.
• Authors of publication: Han, Li-Juan; Kong, Ya-Jie; Yan, Ting-Jiang; Fan, Lu-Tong; Zhang, Qi; Zhao, Hua-Jun; Zheng, He-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18566 - 18571
• a: 9.6531 ± 0.0019 Å
• b: 9.952 ± 0.002 Å
• c: 12.89 ± 0.003 Å
• α: 102.83 ± 0.03°
• β: 99.04 ± 0.03°
• γ: 96.71 ± 0.03°
• Cell volume: 1177.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No