Information card for entry 2019562

Structure parameters

• Common name: caesium 4-fluorophenoxyacetate
• Chemical name: Poly[[μ~5~-(4-fluorophenoxy)acetato][μ~4~-(4-fluorophenoxy)acetato]dicaesium]
• Formula: C8 H6 Cs F O3
• Calculated formula: C8 H6 Cs F O3
• SMILES: [Cs+].[O-]C(=O)COc1ccc(F)cc1
• 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: 6.8582 ± 0.0002 Å
• b: 7.6183 ± 0.0003 Å
• c: 35.6746 ± 0.0015 Å
• α: 90°
• β: 92.778 ± 0.003°
• γ: 90°
• Cell volume: 1861.73 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes