Information card for entry 2212181

Structure parameters

• Common name: Cesium terephthalate dihydrate
• Chemical name: Poly[di-μ~3~-aqua-μ~4~-terephthalato-dicaesium]
• Formula: C8 H8 Cs2 O6
• Calculated formula: C8 H8 Cs2 O6
• SMILES: [Cs+].[Cs+].[O-]C(=O)c1ccc(C(=O)[O-])cc1.O.O
• Title of publication: Poly[di-μ~3~-aqua-μ~4~-terephthalato-dicaesium]
• Authors of publication: Stein, Irena; Ruschewitz, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m382 - m384
• a: 12.729 ± 0.004 Å
• b: 4.1724 ± 0.0007 Å
• c: 12.498 ± 0.004 Å
• α: 90°
• β: 113.1 ± 0.03°
• γ: 90°
• Cell volume: 610.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes