Information card for entry 7209651

Structure parameters

• Formula: C24 H14 F8 N6 O8
• Calculated formula: C24 H14 F8 N6 O8
• SMILES: c1(c(c(C(=O)[O-])c(c(c1C(=O)[O-])F)F)F)F.c1(F)c(C(=O)O)c(c(c(C(=O)O)c1F)F)F.c1(ncccn1)[NH3+].c1(ncccn1)[NH3+]
• Title of publication: A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds
• Authors of publication: Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 2835
• a: 7.0147 ± 0.0014 Å
• b: 7.5439 ± 0.0015 Å
• c: 12.6 ± 0.003 Å
• α: 76.07 ± 0.03°
• β: 81.7 ± 0.03°
• γ: 88.92 ± 0.03°
• Cell volume: 640.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No