Information card for entry 2239992

Structure parameters

• Chemical name: <i>catena</i>-Poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]
• Formula: C12 H27 I K N3 O3
• Calculated formula: C12 H27 I K N3 O3
• SMILES: [K+].[I-].CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C
• Title of publication: Crystal structure of <i>catena</i>-poly[[potassium-tri-μ-dimethylacetamide-κ^6^<i>O</i>:<i>O</i>] iodide]
• Authors of publication: Comanescu, Cezar-Catalin; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 196 - 198
• a: 11.9776 ± 0.0008 Å
• b: 11.9776 ± 0.0008 Å
• c: 7.3455 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 912.62 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes