Information card for entry 2204477

Structure parameters

• Chemical name: Cesium(I) hydrogen phthalate
• Formula: C8 H5 Cs O4
• Calculated formula: C8 H5 Cs O4
• SMILES: [Cs+].[O-]C(=O)c1c(C(=O)O)cccc1
• Title of publication: Caesium(I) hydrogen phthalate
• Authors of publication: Mancheng Hu; Chunyu Geng; Shuni Li; Zhihong Liu; Yucheng Jiang; Guofang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1713 - m1715
• a: 10.659 ± 0.005 Å
• b: 12.768 ± 0.006 Å
• c: 6.556 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes