Information card for entry 4306296

Structure parameters

• Common name: Potassium 4-I-phenoxide dioxane
• Formula: C10 H12 I K O3
• Calculated formula: C10 H12 I K O3
• SMILES: [K+].Ic1ccc([O-])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: 11.2104 ± 0.0008 Å
• b: 15.323 ± 0.0012 Å
• c: 22.0706 ± 0.0018 Å
• α: 90°
• β: 103.706 ± 0.004°
• γ: 90°
• Cell volume: 3683.3 ± 0.5 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: 0.0313
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No