Information card for entry 2019804

Structure parameters

• Common name: lithium (2,4-dichlorophenoxy)acetate trihydrate
• Chemical name: Poly[[aqua[μ~3~-2-(2,4-dichlorophenoxy)acetato-κ^3^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1'^:]lithium(I)] dihydrate]
• Formula: C8 H11 Cl2 Li O6
• Calculated formula: C8 H11 Cl2 Li O6
• SMILES: [Li]1([OH2])[O](C(=O)COc2c(Cl)cc(Cl)cc2)[Li]2([OH2])[O](C(=[O]1)COc1c(Cl)cc(Cl)cc1)[Li]1([OH2])[O](C(=[O]2)COc2c(Cl)cc(Cl)cc2)[Li]([OH2])OC(=[O]1)COc1c(Cl)cc(Cl)cc1.O.O.O.O.O.O.O.O
• Title of publication: Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• a: 7.8705 ± 0.0004 Å
• b: 4.9984 ± 0.0003 Å
• c: 30.9367 ± 0.0017 Å
• α: 90°
• β: 90.343 ± 0.005°
• γ: 90°
• Cell volume: 1217.03 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes