Information card for entry 2019563

Structure parameters

• Common name: caesium (3-chloro-2-methylphenoxy)acetate monohydrate
• Chemical name: Poly[aqua[μ~5~-(3-chloro-2-methylphenoxy)acetato]caesium]
• Formula: C9 H10 Cl Cs O4
• Calculated formula: C9 H10 Cl Cs O4
• SMILES: [Cs+].Clc1c(c(OCC(=O)[O-])ccc1)C.O
• Title of publication: Two-dimensional coordination polymeric structures in caesium complexes with ring-substituted phenoxyacetic acids
• Authors of publication: Smith, Graham; Lynch, Daniel E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 606 - 612
• a: 18.1357 ± 0.0007 Å
• b: 8.8722 ± 0.0004 Å
• c: 7.0958 ± 0.0003 Å
• α: 90°
• β: 94.158 ± 0.004°
• γ: 90°
• Cell volume: 1138.73 ± 0.08 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: 0.0235
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes