Information card for entry 2019564

Structure parameters

• Common name: caesium (2,4-dichlorophenoxy)acetate-(2,4-dichlorophenoxy)acetic acid
• Chemical name: Poly[[μ~7~-(2,4-dichlorophenoxy)acetato][(2,4-dichlorphenoxy)acetic acid]caesium]
• Formula: C16 H11 Cl4 Cs O6
• Calculated formula: C16 H11 Cl4 Cs O6
• SMILES: c1(c(cc(cc1)Cl)Cl)OCC(=O)O.c1(c(cc(cc1)Cl)Cl)OCC(=O)[O-].[Cs+]
• 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: 4.8756 ± 0.0004 Å
• b: 7.1876 ± 0.0004 Å
• c: 15.3045 ± 0.001 Å
• α: 96.223 ± 0.005°
• β: 94.561 ± 0.006°
• γ: 106.45 ± 0.006°
• Cell volume: 507.92 ± 0.06 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes