Information card for entry 4306298

Structure parameters

• Common name: Potassium 4-Cl-phenoxide dioxane
• Formula: C22 H20 Cl3 K3 O5
• Calculated formula: C22 H20 Cl3 K3 O5
• SMILES: [K+].[O-]c1ccc(Cl)cc1.O1CCOCC1
• Title of publication: High-Connectivity Networks and Hybrid Inorganic Rod Materials Built from Potassium and Rubidium p-Halide-Substituted Aryloxides
• Authors of publication: J. Jacob Morris; Bruce C. Noll; Kenneth W. Henderson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9583 - 9591
• a: 18.0451 ± 0.0008 Å
• b: 21.0177 ± 0.001 Å
• c: 7.0816 ± 0.0003 Å
• α: 90°
• β: 91.869 ± 0.003°
• γ: 90°
• Cell volume: 2684.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No