Information card for entry 2020927

Structure parameters

• Common name: sodium (4-fluorophenoxy)acetate dihydrate
• Chemical name: Poly[μ-aqua-aqua-μ-[2-(4-fluorophenoxy)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-sodium]
• Formula: C8 H10 F Na O5
• Calculated formula: C8 H10 F Na O5
• SMILES: [Na+].[O-]C(=O)COc1ccc(F)cc1.O.O
• 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: 5.4784 ± 0.0005 Å
• b: 5.9139 ± 0.0006 Å
• c: 30.379 ± 0.003 Å
• α: 90°
• β: 92.54 ± 0.007°
• γ: 90°
• Cell volume: 983.27 ± 0.17 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: 0.0916
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes