Information card for entry 2238941

Structure parameters

• Common name: caesium 2,3,6-trichlorophenylacetate monohydrate
• Chemical name: Poly[μ-aqua-μ~5~-[2-(2,3,6-trichlorophenyl)acetato]-caesium]
• Formula: C8 H6 Cl3 Cs O3
• Calculated formula: C8 H6 Cl3 Cs O3
• SMILES: [Cs+].Clc1c(c(Cl)ccc1Cl)CC(=O)[O-].O
• Title of publication: Poly[μ-aqua-μ~5~-[2-(2,3,6-trichlorophenyl)acetato]-caesium]
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m628
• a: 17.0606 ± 0.0012 Å
• b: 4.9834 ± 0.0003 Å
• c: 13.9283 ± 0.001 Å
• α: 90°
• β: 98.127 ± 0.006°
• γ: 90°
• Cell volume: 1172.29 ± 0.14 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No