Information card for entry 1561209

Structure parameters

• Formula: C14 H8 Cu F4 N4 O4
• Calculated formula: C14 H8 Cu F4 N4 O4
• SMILES: [Cu]([n]1c[nH]cc1)(OC(=O)c1c(c(F)c(C(=O)O[Cu]([n]2c[nH]cc2)[n]2c[nH]cc2)c(c1F)F)F)([n]1c[nH]cc1)OC(=O)c1c(c(F)c(C(=O)[O-])c(c1F)F)F
• Title of publication: Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties
• Authors of publication: Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 24 - 31
• a: 7.0597 ± 0.0013 Å
• b: 7.4506 ± 0.0011 Å
• c: 7.612 ± 0.0008 Å
• α: 85.291 ± 0.01°
• β: 78.141 ± 0.012°
• γ: 81.338 ± 0.014°
• Cell volume: 386.83 ± 0.1 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: 0.0424
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No