Information card for entry 2020928

Structure parameters

• Common name: potassium (4-fluorophenoxy)acetate
• Chemical name: Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-potassium]
• Formula: C8 H6 F K O3
• Calculated formula: C8 H6 F K O3
• SMILES: [K+].[O-]C(=O)COc1ccc(F)cc1
• Title of publication: Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 979 - 983
• a: 18.3542 ± 0.0015 Å
• b: 6.9466 ± 0.0008 Å
• c: 6.5969 ± 0.0005 Å
• α: 90°
• β: 92.995 ± 0.007°
• γ: 90°
• Cell volume: 839.95 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0961
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes